#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h8p s GLU 23 N 0.00 4.10 0.58 3.49 0.41 -1.26 -5.02 118.70 121.00 1h8p s GLU 23 Ca 0.00 0.93 -0.18 0.00 -0.41 0.00 0.00 54.97 55.31 1h8p s GLU 23 Cb 0.00 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1h8p s GLU 23 CO 0.00 -0.00 1.10 0.00 -0.49 0.00 0.00 175.26 175.87 1h8p s VAL 25 N -2.06 2.46 -0.10 0.00 1.01 -0.71 -4.98 120.40 116.01 1h8p s VAL 25 Ca 0.69 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1h8p s VAL 25 Cb -0.21 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1h8p s VAL 25 CO 0.32 0.27 -0.22 -0.36 0.00 0.00 0.00 175.10 175.11 1h8p s PHE 26 N 1.27 2.60 0.52 5.22 2.99 -1.26 -3.23 117.98 126.09 1h8p s PHE 26 Ca -0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 56.93 55.91 1h8p s PHE 26 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 43.02 41.10 1h8p s PHE 26 CO -0.07 -0.37 0.84 -1.25 -0.00 0.00 0.00 175.22 174.36 1h8p s PRO 27 N 0.32 3.49 0.09 0.24 0.04 -1.26 -5.06 135.00 132.86 1h8p s PRO 27 Ca -0.17 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.21 1h8p s PRO 27 Cb -0.17 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1h8p s PRO 27 CO 0.08 -0.32 -0.15 -0.59 0.04 0.00 0.00 177.00 176.06 1h8p s PHE 28 N -2.84 1.36 -0.18 0.56 -0.71 -0.05 -4.60 117.98 111.51 1h8p s PHE 28 Ca 0.49 -0.48 -0.04 0.00 -1.04 0.00 0.00 56.93 55.87 1h8p s PHE 28 Cb -0.10 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.94 1h8p s PHE 28 CO 0.47 0.10 -0.03 0.08 -1.34 0.00 0.00 175.22 174.50 1h8p s VAL 29 N -1.46 3.83 -0.13 -2.49 1.01 0.16 -0.37 120.40 120.96 1h8p s VAL 29 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1h8p s VAL 29 Cb -0.09 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1h8p s VAL 29 CO 0.03 0.46 -0.04 -0.47 0.00 0.00 0.00 175.10 175.08 1h8p s TYR 30 N 0.69 1.31 -1.36 5.22 5.04 -0.21 -2.18 117.35 125.87 1h8p s TYR 30 Ca -0.02 -0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 53.87 1h8p s TYR 30 Cb -0.14 -1.14 0.02 0.00 0.35 0.00 0.00 41.96 41.05 1h8p s TYR 30 CO 0.02 -0.51 0.73 0.54 -1.34 0.00 0.00 175.55 175.00 1h8p n ARG 31 N 4.98 -4.93 -1.22 4.97 1.74 -1.26 -1.46 116.66 119.49 1h8p n ARG 31 Ca -0.11 0.60 -0.07 0.00 -0.77 0.00 0.00 57.85 57.50 1h8p n ARG 31 Cb 0.49 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 1h8p n ARG 31 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1h8p n ASN 32 N -3.01 -5.48 -4.46 0.55 5.03 -1.26 -4.98 115.26 101.65 1h8p n ASN 32 Ca -0.24 0.18 -0.33 0.00 0.87 0.00 0.00 54.58 55.06 1h8p n ASN 32 Cb 0.65 -3.63 -0.13 0.00 -1.02 0.00 0.00 39.78 35.65 1h8p n ASN 32 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1h8p s ARG 33 N -2.49 3.50 -0.17 3.52 3.52 -0.54 -5.09 118.95 121.21 1h8p s ARG 33 Ca 0.00 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 54.85 1h8p s ARG 33 Cb 0.00 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 1h8p s ARG 33 CO 0.00 0.27 0.47 0.21 -0.81 0.00 0.00 175.30 175.44 1h8p s LYS 34 N 0.25 4.25 -0.11 5.12 2.20 -1.26 -1.05 119.74 129.15 1h8p s LYS 34 Ca -0.05 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1h8p s LYS 34 Cb -0.14 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1h8p s LYS 34 CO 0.04 0.01 -0.20 -1.01 -0.36 0.00 0.00 175.35 173.83 1h8p s HIS 35 N 1.12 2.66 -1.33 4.03 3.76 0.50 -4.96 115.29 121.07 1h8p s HIS 35 Ca 0.24 -0.91 0.16 0.00 -0.15 0.00 0.00 55.06 54.40 1h8p s HIS 35 Cb -0.15 -1.77 0.48 0.00 1.11 0.00 0.00 32.58 32.25 1h8p s HIS 35 CO 0.09 -0.35 1.40 1.19 -0.85 0.00 0.00 174.74 176.23 1h8p n PHE 36 N 3.55 0.76 -3.83 1.40 3.01 -1.26 -0.87 117.46 120.21 1h8p n PHE 36 Ca -0.19 -0.52 -0.08 0.00 1.01 0.00 0.00 57.45 57.67 1h8p n PHE 36 Cb 0.53 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1h8p n PHE 36 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1h8p s ASP 37 N -1.03 -0.11 0.60 4.37 -1.08 -1.26 -4.66 116.67 113.50 1h8p s ASP 37 Ca 0.36 -0.90 -0.19 0.00 -0.52 0.00 0.00 52.55 51.31 1h8p s ASP 37 Cb 0.20 0.79 -0.03 0.00 -1.46 0.00 0.00 42.92 42.42 1h8p s ASP 37 CO 0.23 -1.52 1.24 0.00 0.52 0.00 0.00 175.17 175.64 1h8p s THR 39 N -1.51 0.68 -1.99 0.00 -1.32 -0.22 -4.81 115.64 106.46 1h8p s THR 39 Ca 0.78 -1.72 0.21 0.00 -1.21 0.00 0.00 61.69 59.74 1h8p s THR 39 Cb -0.33 -1.42 0.48 0.00 -1.51 0.00 0.00 72.50 69.72 1h8p s THR 39 CO 0.36 -0.74 1.41 1.33 -2.21 0.00 0.00 174.62 174.77 1h8p n VAL 40 N 0.34 0.75 -1.70 5.08 0.24 -1.26 -1.09 118.33 120.69 1h8p n VAL 40 Ca -0.15 -0.87 -0.53 0.00 -2.04 0.00 0.00 64.34 60.75 1h8p n VAL 40 Cb 0.59 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.64 1h8p n VAL 40 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1h8p n HIS 41 N 1.37 2.19 -1.96 6.34 -0.00 -1.26 -0.15 115.22 121.75 1h8p n HIS 41 Ca 0.20 0.27 -0.19 0.00 -0.00 0.00 0.00 57.72 58.00 1h8p n HIS 41 Cb 0.57 -2.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.96 1h8p n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1h8p n GLY 42 N 4.33 0.75 3.25 1.57 0.00 -1.26 -4.97 105.19 108.86 1h8p n GLY 42 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1h8p n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h8p s SER 43 N -2.47 0.04 0.00 1.61 0.15 0.79 -5.02 113.70 108.81 1h8p s SER 43 Ca 0.00 -0.62 0.24 0.00 0.70 0.00 0.00 55.95 56.26 1h8p s SER 43 Cb 0.00 0.38 0.23 0.00 -1.71 0.00 0.00 66.02 64.91 1h8p s SER 43 CO 0.00 -0.78 1.22 0.18 1.20 0.00 0.00 173.24 175.06 1h8p n LEU 44 N -0.11 0.89 -3.85 3.45 4.77 -1.26 -4.80 117.00 116.08 1h8p n LEU 44 Ca -0.14 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 1h8p n LEU 44 Cb 0.63 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1h8p n LEU 44 CO 0.22 0.20 -0.21 0.12 -1.33 0.00 0.00 177.39 176.39 1h8p s PHE 45 N -2.89 -0.06 0.19 -1.77 2.19 -1.26 -5.10 117.98 109.28 1h8p s PHE 45 Ca 0.12 0.16 -0.33 0.00 0.33 0.00 0.00 56.93 57.21 1h8p s PHE 45 Cb 0.17 0.01 -0.14 0.00 -1.31 0.00 0.00 43.02 41.74 1h8p s PHE 45 CO 0.73 -0.14 1.37 -2.30 1.83 0.00 0.00 175.22 176.71 1h8p n PRO 46 N 2.46 1.74 -4.13 10.12 -0.02 -1.26 -4.69 135.00 139.23 1h8p n PRO 46 Ca -0.16 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1h8p n PRO 46 Cb 0.58 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 1h8p n PRO 46 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1h8p s TRP 47 N 0.16 0.84 0.04 6.00 1.48 -0.25 -1.13 118.94 126.09 1h8p s TRP 47 Ca 0.73 -1.17 -0.06 0.00 -1.06 0.00 0.00 56.10 54.54 1h8p s TRP 47 Cb -0.74 -0.40 -0.01 0.00 -1.16 0.00 0.00 33.47 31.16 1h8p s TRP 47 CO 0.48 -0.60 0.11 0.00 -4.06 0.00 0.00 176.95 172.87 1h8p s SER 49 N -2.10 6.81 0.00 0.00 0.15 -1.26 -1.86 113.70 115.44 1h8p s SER 49 Ca -0.05 1.25 0.25 0.00 0.70 0.00 0.00 55.95 58.10 1h8p s SER 49 Cb -0.01 -2.36 0.83 0.00 -1.71 0.00 0.00 66.02 62.76 1h8p s SER 49 CO -0.04 -0.13 1.61 0.18 1.20 0.00 0.00 173.24 176.06 1h8p n LEU 50 N -0.08 1.83 -3.96 3.45 4.77 -0.52 -1.74 117.00 120.75 1h8p n LEU 50 Ca 0.02 -0.68 -0.16 0.00 -0.03 0.00 0.00 56.01 55.16 1h8p n LEU 50 Cb 0.53 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1h8p n LEU 50 CO 0.42 0.34 -0.40 -1.81 -1.33 0.00 0.00 177.39 174.61 1h8p s ASP 51 N -1.83 0.64 0.25 -1.43 1.11 -1.26 -4.63 116.67 109.51 1h8p s ASP 51 Ca 0.35 -0.11 -0.03 0.00 0.18 0.00 0.00 52.55 52.94 1h8p s ASP 51 Cb 0.20 -0.07 0.45 0.00 1.07 0.00 0.00 42.92 44.58 1h8p s ASP 51 CO 0.31 0.06 1.78 0.00 1.18 0.00 0.00 175.17 178.49 1h8p h ALA 52 N 5.96 1.18 -2.80 5.23 0.00 -1.84 -3.27 119.26 123.72 1h8p h ALA 52 Ca -0.28 0.07 -0.71 0.00 0.00 0.00 0.00 54.91 53.98 1h8p h ALA 52 Cb 1.19 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 1h8p h ALA 52 CO 0.50 -0.04 -0.49 0.34 0.00 0.00 0.00 179.25 179.56 1h8p s ASP 53 N -5.48 5.66 -0.04 0.00 2.15 -1.26 0.40 116.67 118.09 1h8p s ASP 53 Ca -0.12 -1.31 -0.36 0.00 0.43 0.00 0.00 52.55 51.19 1h8p s ASP 53 Cb 0.20 -2.00 -0.15 0.00 -0.30 0.00 0.00 42.92 40.68 1h8p s ASP 53 CO 0.78 -0.48 1.64 0.00 -0.17 0.00 0.00 175.17 176.94 1h8p n TYR 54 N 4.95 2.04 -2.26 -5.34 9.36 -0.92 -4.88 117.16 120.10 1h8p n TYR 54 Ca -0.11 0.36 0.02 0.00 3.32 0.00 0.00 57.90 61.49 1h8p n TYR 54 Cb 0.44 -2.50 0.08 0.00 -0.63 0.00 0.00 39.34 36.73 1h8p n TYR 54 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1h8p n VAL 55 N 3.96 0.99 -0.08 2.97 0.24 -1.26 -4.97 118.33 120.18 1h8p n VAL 55 Ca 0.21 -2.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1h8p n VAL 55 Cb 0.22 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1h8p n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h8p n GLY 56 N -0.20 0.56 3.60 7.63 0.00 -1.26 -5.05 105.19 110.48 1h8p n GLY 56 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1h8p n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h8p s ARG 57 N -0.82 3.98 0.22 1.61 0.52 -1.26 -5.05 118.95 118.15 1h8p s ARG 57 Ca 0.00 -0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 1h8p s ARG 57 Cb 0.00 -3.64 0.02 0.00 0.52 0.00 0.00 34.95 31.85 1h8p s ARG 57 CO 0.00 -0.14 0.55 1.67 0.02 0.00 0.00 175.30 177.40 1h8p s TRP 58 N 1.63 -0.01 0.11 -0.53 1.48 -1.26 -1.44 118.94 118.92 1h8p s TRP 58 Ca 0.07 -0.36 -0.15 0.00 -1.06 0.00 0.00 56.10 54.61 1h8p s TRP 58 Cb -0.16 0.40 0.03 0.00 -1.16 0.00 0.00 33.47 32.58 1h8p s TRP 58 CO 0.10 -0.99 0.37 -1.59 -4.06 0.00 0.00 176.95 170.77 1h8p s LYS 59 N -3.92 1.00 0.41 3.25 -2.85 -0.78 -4.94 119.74 111.92 1h8p s LYS 59 Ca 0.13 -0.69 -0.23 0.00 -1.00 0.00 0.00 55.97 54.18 1h8p s LYS 59 Cb -0.02 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 1h8p s LYS 59 CO 0.02 -0.38 1.04 0.71 0.10 0.00 0.00 175.35 176.85 1h8p s TYR 60 N -3.58 3.23 -0.02 1.78 2.02 -1.26 -1.36 117.35 118.16 1h8p s TYR 60 Ca 0.02 1.63 -0.21 0.00 -0.37 0.00 0.00 57.07 58.14 1h8p s TYR 60 Cb 0.02 -3.11 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 1h8p s TYR 60 CO -0.10 -0.64 0.61 0.00 -1.57 0.00 0.00 175.55 173.85 1h8p s ALA 62 N 0.03 4.09 0.26 0.00 0.00 -1.26 -4.94 121.76 119.94 1h8p s ALA 62 Ca 0.32 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1h8p s ALA 62 Cb -0.18 -1.94 0.54 0.00 0.00 0.00 0.00 23.12 21.54 1h8p s ALA 62 CO 0.17 -0.64 1.75 0.37 0.00 0.00 0.00 175.76 177.41 1h8p h GLN 63 N 0.22 0.55 0.00 0.00 4.15 -1.99 -0.17 115.11 117.87 1h8p h GLN 63 Ca -0.41 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1h8p h GLN 63 Cb 1.29 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 1h8p h GLN 63 CO 0.49 0.37 -0.01 0.07 -1.93 0.00 0.00 178.83 177.82 1h8p h ARG 64 N 0.57 0.00 0.00 1.69 0.11 -2.03 -3.06 114.38 111.66 1h8p h ARG 64 Ca 0.46 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.45 1h8p h ARG 64 Cb 0.69 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 1h8p h ARG 64 CO -0.39 0.01 -0.46 -0.44 0.10 0.00 0.00 179.97 178.79 1h8p h ASP 65 N 0.00 0.00 -4.07 0.08 3.32 -1.39 -3.46 116.42 110.90 1h8p h ASP 65 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1h8p h ASP 65 Cb 0.36 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.05 1h8p h ASP 65 CO 0.00 0.46 0.58 -0.31 -1.72 0.00 0.00 179.24 178.26 1h8p s TYR 66 N -3.03 2.20 0.29 4.55 1.51 -1.16 -4.79 117.35 116.92 1h8p s TYR 66 Ca 0.04 1.40 -0.30 0.00 -1.01 0.00 0.00 57.07 57.20 1h8p s TYR 66 Cb 0.08 -3.78 -0.12 0.00 -0.11 0.00 0.00 41.96 38.03 1h8p s TYR 66 CO 0.73 -2.94 1.61 0.00 -1.11 0.00 0.00 175.55 173.84 1h8p n ALA 67 N -1.32 2.62 -2.95 3.71 0.00 -1.26 -5.00 120.51 116.31 1h8p n ALA 67 Ca 0.12 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 1h8p n ALA 67 Cb 0.46 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1h8p n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h8p s LYS 68 N -0.42 3.39 0.41 0.00 1.02 -1.26 -5.05 119.74 117.83 1h8p s LYS 68 Ca 0.64 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.63 1h8p s LYS 68 Cb -0.49 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 33.84 1h8p s LYS 68 CO 0.48 0.44 0.96 0.00 -0.92 0.00 0.00 175.35 176.30 1h8p s VAL 70 N -1.28 4.14 -0.06 0.00 1.01 -0.45 -5.02 120.40 118.73 1h8p s VAL 70 Ca 0.63 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1h8p s VAL 70 Cb -0.57 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1h8p s VAL 70 CO 0.57 0.08 -0.23 -0.36 0.00 0.00 0.00 175.10 175.17 1h8p s PHE 71 N 1.53 2.24 0.61 5.22 2.99 -1.26 -3.62 117.98 125.69 1h8p s PHE 71 Ca 0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 56.93 56.17 1h8p s PHE 71 Cb -0.17 -1.49 -0.02 0.00 0.00 0.00 0.00 43.02 41.35 1h8p s PHE 71 CO 0.03 -0.23 0.97 -1.25 -0.00 0.00 0.00 175.22 174.74 1h8p s PRO 72 N -0.02 3.25 0.06 0.24 0.04 -1.26 -5.10 135.00 132.21 1h8p s PRO 72 Ca -0.06 0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.41 1h8p s PRO 72 Cb -0.14 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1h8p s PRO 72 CO 0.04 -0.64 -0.11 -0.59 0.04 0.00 0.00 177.00 175.75 1h8p s PHE 73 N -3.09 0.91 -0.20 0.56 -0.71 -0.42 -4.60 117.98 110.44 1h8p s PHE 73 Ca 0.54 -0.49 -0.12 0.00 -1.04 0.00 0.00 56.93 55.82 1h8p s PHE 73 Cb -0.11 -0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 41.13 1h8p s PHE 73 CO 0.50 -0.02 0.20 0.42 -1.34 0.00 0.00 175.22 174.97 1h8p s ILE 74 N -1.40 5.36 -0.07 -4.49 1.01 0.01 -0.15 121.20 121.47 1h8p s ILE 74 Ca -0.06 0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1h8p s ILE 74 Cb -0.10 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1h8p s ILE 74 CO 0.01 0.40 0.14 -0.47 0.00 0.00 0.00 174.94 175.02 1h8p s TYR 75 N 0.56 -0.14 -1.76 3.97 5.04 -0.07 -1.02 117.35 123.93 1h8p s TYR 75 Ca 0.11 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 1h8p s TYR 75 Cb -0.12 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1h8p s TYR 75 CO 0.01 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 1h8p n GLY 76 N 4.66 0.27 2.62 8.97 0.00 -1.26 -1.40 105.19 119.04 1h8p n GLY 76 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1h8p n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h8p n GLY 77 N -0.90 0.67 3.60 -0.02 0.00 -1.26 -5.02 105.19 102.27 1h8p n GLY 77 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1h8p n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8p s LYS 78 N -0.16 2.21 -0.09 1.61 -0.14 -0.49 -5.09 119.74 117.58 1h8p s LYS 78 Ca 0.00 -1.05 -0.17 0.00 -1.36 0.00 0.00 55.97 53.39 1h8p s LYS 78 Cb 0.00 -2.32 -0.05 0.00 -1.68 0.00 0.00 37.83 33.78 1h8p s LYS 78 CO 0.00 0.49 0.45 0.15 -0.76 0.00 0.00 175.35 175.69 1h8p s LYS 79 N -2.43 4.26 -0.08 1.68 -0.14 -1.26 -0.89 119.74 120.88 1h8p s LYS 79 Ca 0.23 0.43 0.04 0.00 -1.36 0.00 0.00 55.97 55.31 1h8p s LYS 79 Cb -0.11 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.64 1h8p s LYS 79 CO 0.15 0.27 -0.21 0.71 -0.76 0.00 0.00 175.35 175.52 1h8p s TYR 80 N 0.25 2.58 -0.97 3.18 1.51 0.79 -4.94 117.35 119.75 1h8p s TYR 80 Ca 0.25 -0.72 0.16 0.00 -1.01 0.00 0.00 57.07 55.75 1h8p s TYR 80 Cb -0.15 -1.68 -0.13 0.00 -0.11 0.00 0.00 41.96 39.88 1h8p s TYR 80 CO 0.11 -0.22 0.74 0.39 -1.11 0.00 0.00 175.55 175.46 1h8p n GLU 81 N 3.13 1.67 -4.22 -0.62 -0.58 -1.26 -1.30 120.64 117.47 1h8p n GLU 81 Ca -0.18 -0.22 -0.17 0.00 -0.42 0.00 0.00 57.16 56.17 1h8p n GLU 81 Cb 0.52 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 30.05 1h8p n GLU 81 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1h8p s THR 82 N -2.38 0.00 0.55 2.62 -4.23 -1.26 -4.92 115.64 106.02 1h8p s THR 82 Ca 0.08 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.50 1h8p s THR 82 Cb 0.13 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 1h8p s THR 82 CO 0.60 0.00 1.22 0.00 -0.54 0.00 0.00 174.62 175.90 1h8p s THR 84 N -1.54 0.53 -1.51 0.00 -1.32 -0.39 -4.84 115.64 106.57 1h8p s THR 84 Ca 0.73 -1.70 0.18 0.00 -1.21 0.00 0.00 61.69 59.69 1h8p s THR 84 Cb -0.31 -1.38 -0.05 0.00 -1.51 0.00 0.00 72.50 69.25 1h8p s THR 84 CO 0.36 -0.80 0.90 0.29 -2.21 0.00 0.00 174.62 173.16 1h8p n LYS 85 N 0.34 1.43 -1.69 7.08 5.02 -1.26 -1.05 118.16 128.03 1h8p n LYS 85 Ca -0.15 -0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 55.01 1h8p n LYS 85 Cb 0.59 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 1h8p n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1h8p n ILE 86 N -0.37 0.26 -0.85 -0.18 5.41 -1.26 0.96 119.36 123.33 1h8p n ILE 86 Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1h8p n ILE 86 Cb 0.37 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1h8p n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h8p n GLY 87 N 4.09 0.81 1.54 7.39 0.00 -1.26 -4.79 105.19 112.97 1h8p n GLY 87 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1h8p n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h8p n SER 88 N 0.00 0.17 -2.87 1.61 2.88 0.80 -5.07 113.62 111.14 1h8p n SER 88 Ca 0.00 0.14 -0.22 0.00 -1.33 0.00 0.00 58.87 57.46 1h8p n SER 88 Cb 0.00 0.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1h8p n SER 88 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1h8p n MET 89 N -3.05 -3.90 0.06 -1.46 0.00 0.27 -4.75 117.12 104.29 1h8p n MET 89 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 57.70 58.59 1h8p n MET 89 Cb 0.14 -5.69 0.00 0.00 0.00 0.00 0.00 33.22 27.67 1h8p n MET 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 1h8p n TRP 90 N -4.31 -2.24 -4.31 3.17 4.27 -1.26 -5.11 117.44 107.66 1h8p n TRP 90 Ca -0.14 0.35 -0.21 0.00 -3.89 0.00 0.00 57.50 53.61 1h8p n TRP 90 Cb 0.63 1.17 -0.16 0.00 -1.36 0.00 0.00 31.31 31.59 1h8p n TRP 90 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1h8p s MET 91 N -2.00 1.04 0.55 -2.67 -1.94 -1.26 -5.13 119.30 107.89 1h8p s MET 91 Ca 0.00 -0.21 -0.21 0.00 -1.71 0.00 0.00 55.69 53.56 1h8p s MET 91 Cb 0.00 -0.96 -0.05 0.00 2.01 0.00 0.00 34.83 35.83 1h8p s MET 91 CO 0.00 -0.01 1.23 -1.54 -0.01 0.00 0.00 175.02 174.69 1h8p s SER 92 N 0.69 5.46 0.21 3.03 1.04 -1.26 -4.77 113.70 118.10 1h8p s SER 92 Ca -0.11 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 1h8p s SER 92 Cb -0.14 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1h8p s SER 92 CO 0.01 -1.41 0.17 -1.66 0.98 0.00 0.00 173.24 171.33 1h8p s TRP 93 N -1.51 1.14 0.06 5.02 1.48 -0.22 -1.38 118.94 123.53 1h8p s TRP 93 Ca 0.73 -1.35 -0.08 0.00 -1.06 0.00 0.00 56.10 54.34 1h8p s TRP 93 Cb -0.32 -0.51 -0.00 0.00 -1.16 0.00 0.00 33.47 31.48 1h8p s TRP 93 CO 0.37 -0.69 0.17 0.00 -4.06 0.00 0.00 176.95 172.74 1h8p s SER 95 N -2.49 6.69 -0.10 0.00 0.15 -1.26 -1.75 113.70 114.94 1h8p s SER 95 Ca 0.00 1.50 0.17 0.00 0.70 0.00 0.00 55.95 58.32 1h8p s SER 95 Cb 0.02 -2.47 0.64 0.00 -1.71 0.00 0.00 66.02 62.50 1h8p s SER 95 CO -0.08 -0.47 1.55 0.18 1.20 0.00 0.00 173.24 175.63 1h8p n LEU 96 N -1.20 4.39 -3.78 3.45 4.77 0.09 -1.35 117.00 123.36 1h8p n LEU 96 Ca 0.06 -2.44 -0.10 0.00 -0.03 0.00 0.00 56.01 53.50 1h8p n LEU 96 Cb 0.54 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1h8p n LEU 96 CO 0.44 0.79 0.15 -0.94 -1.33 0.00 0.00 177.39 176.50 1h8p s SER 97 N -1.06 -0.15 0.56 -1.43 1.04 -1.26 -4.81 113.70 106.59 1h8p s SER 97 Ca 0.46 -0.56 0.29 0.00 0.48 0.00 0.00 55.95 56.62 1h8p s SER 97 Cb 0.30 0.51 1.66 0.00 0.10 0.00 0.00 66.02 68.59 1h8p s SER 97 CO 0.22 -0.95 2.17 -0.65 0.98 0.00 0.00 173.24 175.01 1h8p h PRO 98 N 2.35 0.00 -3.19 4.02 0.11 -1.87 -3.38 132.00 130.04 1h8p h PRO 98 Ca -0.31 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.22 1h8p h PRO 98 Cb 1.25 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.96 1h8p h PRO 98 CO 0.43 0.06 -0.77 1.21 -0.21 0.00 0.00 178.00 178.72 1h8p s ASN 99 N -6.14 3.73 0.25 -2.05 3.04 -1.26 -0.81 114.94 111.71 1h8p s ASN 99 Ca -0.04 -1.95 -0.03 0.00 0.04 0.00 0.00 52.86 50.89 1h8p s ASN 99 Cb 0.14 -0.79 0.32 0.00 -1.54 0.00 0.00 41.25 39.37 1h8p s ASN 99 CO 0.56 -0.36 1.76 0.22 -3.04 0.00 0.00 177.10 176.23 1h8p h TYR 100 N 7.61 0.88 -0.94 0.43 3.20 -1.25 -0.90 116.97 125.99 1h8p h TYR 100 Ca -0.08 -0.12 0.13 0.00 3.14 0.00 0.00 58.73 61.80 1h8p h TYR 100 Cb 0.98 -0.24 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 1h8p h TYR 100 CO 0.40 0.80 0.57 -0.44 -1.64 0.00 0.00 178.16 177.84 1h8p h ASP 101 N 0.77 0.79 0.02 -2.11 3.45 -1.91 0.71 116.42 118.15 1h8p h ASP 101 Ca 0.15 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 1h8p h ASP 101 Cb 0.44 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1h8p h ASP 101 CO 0.02 0.39 -0.01 0.11 -1.57 0.00 0.00 179.24 178.18 1h8p h LYS 102 N 0.86 -0.02 0.00 3.56 1.57 -1.80 -3.40 116.57 117.33 1h8p h LYS 102 Ca 0.49 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.04 1h8p h LYS 102 Cb 0.56 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1h8p h LYS 102 CO -0.30 0.60 -1.35 -0.44 -0.57 0.00 0.00 179.45 177.39 1h8p h ASP 103 N -0.97 0.00 -2.18 0.86 3.45 -1.06 -3.48 116.42 113.03 1h8p h ASP 103 Ca -0.00 0.00 -0.40 0.00 0.43 0.00 0.00 57.03 57.06 1h8p h ASP 103 Cb 0.63 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.32 1h8p h ASP 103 CO 0.00 0.85 -0.44 0.54 -1.57 0.00 0.00 179.24 178.63 1h8p n ARG 104 N -3.10 -1.61 -3.53 3.56 1.74 0.25 -4.96 116.66 109.00 1h8p n ARG 104 Ca -0.09 1.04 -0.37 0.00 -0.77 0.00 0.00 57.85 57.67 1h8p n ARG 104 Cb 0.94 -5.57 -0.07 0.00 -1.02 0.00 0.00 32.46 26.75 1h8p n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h8p s ALA 105 N -2.83 3.60 0.30 7.54 0.00 -1.26 -5.04 121.76 124.06 1h8p s ALA 105 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1h8p s ALA 105 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1h8p s ALA 105 CO 0.00 0.11 0.70 1.67 0.00 0.00 0.00 175.76 178.25 1h8p s TRP 106 N 0.38 -0.03 0.03 0.00 1.48 -1.26 -0.74 118.94 118.79 1h8p s TRP 106 Ca 0.17 -0.45 -0.21 0.00 -1.06 0.00 0.00 56.10 54.55 1h8p s TRP 106 Cb -0.13 0.66 0.04 0.00 -1.16 0.00 0.00 33.47 32.88 1h8p s TRP 106 CO 0.05 -1.28 0.47 -1.59 -4.06 0.00 0.00 176.95 170.54 1h8p s LYS 107 N -3.57 0.95 0.48 3.25 -2.85 -0.72 -4.87 119.74 112.41 1h8p s LYS 107 Ca 0.14 -0.23 -0.20 0.00 -1.00 0.00 0.00 55.97 54.68 1h8p s LYS 107 Cb -0.05 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 1h8p s LYS 107 CO 0.08 -0.32 1.03 0.71 0.10 0.00 0.00 175.35 176.95 1h8p s TYR 108 N -2.20 3.03 -2.58 1.78 4.12 -1.26 -1.27 117.35 118.97 1h8p s TYR 108 Ca -0.07 1.58 0.27 0.00 0.02 0.00 0.00 57.07 58.87 1h8p s TYR 108 Cb -0.01 -3.04 0.91 0.00 -1.52 0.00 0.00 41.96 38.29 1h8p s TYR 108 CO -0.00 -0.77 1.66 0.00 0.02 0.00 0.00 175.55 176.46