#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 2.81 0.55 5.31 0.41 -1.26 -5.02 118.70 121.49 1h8p s GLU 23 Ca 0.00 -0.68 -0.21 0.00 -0.41 0.00 0.00 54.97 53.68 1h8p s GLU 23 Cb 0.00 -2.69 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 1h8p s GLU 23 CO 0.00 0.59 1.23 0.00 -0.49 0.00 0.00 175.26 176.58 1h8p s VAL 25 N -1.52 2.18 -0.09 0.00 1.01 -0.70 -4.98 120.40 116.29 1h8p s VAL 25 Ca 0.72 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1h8p s VAL 25 Cb -0.32 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1h8p s VAL 25 CO 0.36 0.39 -0.23 -0.36 0.00 0.00 0.00 175.10 175.27 1h8p s PHE 26 N 1.26 2.40 0.58 5.22 2.99 -1.26 -3.40 117.98 125.76 1h8p s PHE 26 Ca 0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 56.93 55.94 1h8p s PHE 26 Cb -0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 43.02 41.24 1h8p s PHE 26 CO -0.10 -0.36 0.94 -1.25 -0.00 0.00 0.00 175.22 174.44 1h8p s PRO 27 N 0.28 3.37 0.06 0.24 0.04 -1.26 -5.06 135.00 132.67 1h8p s PRO 27 Ca -0.15 0.41 0.05 0.00 0.04 0.00 0.00 61.00 61.35 1h8p s PRO 27 Cb -0.17 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1h8p s PRO 27 CO 0.07 -0.54 -0.14 -0.59 0.04 0.00 0.00 177.00 175.85 1h8p s PHE 28 N -3.03 1.17 -0.20 0.56 -0.71 0.12 -4.65 117.98 111.25 1h8p s PHE 28 Ca 0.53 -0.44 -0.07 0.00 -1.04 0.00 0.00 56.93 55.91 1h8p s PHE 28 Cb -0.11 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1h8p s PHE 28 CO 0.49 0.04 0.06 0.08 -1.34 0.00 0.00 175.22 174.55 1h8p s VAL 29 N -1.18 4.60 -0.04 -2.49 1.01 0.11 -0.42 120.40 122.00 1h8p s VAL 29 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1h8p s VAL 29 Cb -0.09 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1h8p s VAL 29 CO 0.02 0.43 0.01 -0.47 0.00 0.00 0.00 175.10 175.09 1h8p s TYR 30 N 0.68 0.36 -1.25 5.22 5.04 -0.16 -1.90 117.35 125.33 1h8p s TYR 30 Ca 0.03 0.01 -0.27 0.00 -2.44 0.00 0.00 57.07 54.40 1h8p s TYR 30 Cb -0.13 -0.54 0.03 0.00 0.35 0.00 0.00 41.96 41.67 1h8p s TYR 30 CO 0.02 -0.20 0.62 0.54 -1.34 0.00 0.00 175.55 175.19 1h8p n ARG 31 N 4.68 -0.62 -0.93 4.97 1.74 -1.26 -1.04 116.66 124.21 1h8p n ARG 31 Ca -0.16 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1h8p n ARG 31 Cb 0.50 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 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 -2.36 -4.12 -4.40 0.55 3.02 -1.26 -4.99 115.26 101.71 1h8p n ASN 32 Ca -0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 1h8p n ASN 32 Cb 0.59 -2.49 -0.14 0.00 -0.61 0.00 0.00 39.78 37.13 1h8p n ASN 32 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1h8p s ARG 33 N -1.30 2.47 -0.20 3.52 0.52 -0.20 -5.10 118.95 118.65 1h8p s ARG 33 Ca 0.00 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 1h8p s ARG 33 Cb 0.00 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 1h8p s ARG 33 CO 0.00 0.55 0.38 0.21 0.02 0.00 0.00 175.30 176.46 1h8p s LYS 34 N -0.55 4.17 -0.16 3.54 2.20 -1.26 -0.98 119.74 126.70 1h8p s LYS 34 Ca 0.08 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1h8p s LYS 34 Cb -0.11 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1h8p s LYS 34 CO 0.01 -0.02 -0.16 -1.01 -0.36 0.00 0.00 175.35 173.81 1h8p s HIS 35 N 1.27 2.78 -1.91 4.03 3.76 0.44 -4.95 115.29 120.71 1h8p s HIS 35 Ca 0.18 -1.06 0.20 0.00 -0.15 0.00 0.00 55.06 54.23 1h8p s HIS 35 Cb -0.15 -1.89 0.51 0.00 1.11 0.00 0.00 32.58 32.17 1h8p s HIS 35 CO 0.08 -0.49 1.43 1.19 -0.85 0.00 0.00 174.74 176.10 1h8p n PHE 36 N 4.07 0.74 -3.87 1.40 3.01 -1.26 -0.70 117.46 120.85 1h8p n PHE 36 Ca -0.19 -0.42 -0.09 0.00 1.01 0.00 0.00 57.45 57.76 1h8p n PHE 36 Cb 0.52 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.13 0.01 0.59 4.37 -1.08 -1.26 -4.68 116.67 113.49 1h8p s ASP 37 Ca 0.41 -1.00 -0.20 0.00 -0.52 0.00 0.00 52.55 51.24 1h8p s ASP 37 Cb 0.22 0.77 -0.03 0.00 -1.46 0.00 0.00 42.92 42.42 1h8p s ASP 37 CO 0.29 -1.50 1.34 0.00 0.52 0.00 0.00 175.17 175.82 1h8p s THR 39 N -1.33 0.54 -1.19 0.00 -1.32 0.46 -4.82 115.64 107.98 1h8p s THR 39 Ca 0.76 -1.91 0.16 0.00 -1.21 0.00 0.00 61.69 59.48 1h8p s THR 39 Cb -0.40 -1.73 0.48 0.00 -1.51 0.00 0.00 72.50 69.35 1h8p s THR 39 CO 0.45 -0.82 1.40 1.33 -2.21 0.00 0.00 174.62 174.77 1h8p n VAL 40 N -0.04 1.22 -1.62 5.08 0.24 -1.26 -0.47 118.33 121.49 1h8p n VAL 40 Ca -0.11 -1.10 -0.43 0.00 -2.04 0.00 0.00 64.34 60.65 1h8p n VAL 40 Cb 0.61 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.84 2.19 -1.72 6.34 -0.00 -1.26 -1.25 115.22 120.36 1h8p n HIS 41 Ca 0.18 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.72 57.63 1h8p n HIS 41 Cb 0.58 -2.75 -0.01 0.00 -0.00 0.00 0.00 29.99 27.81 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 5.25 0.43 3.81 1.57 0.00 -1.26 -5.00 105.19 109.99 1h8p n GLY 42 Ca 0.26 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1h8p n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h8p s SER 43 N -2.82 -0.08 -0.18 1.61 1.04 -0.38 -5.05 113.70 107.85 1h8p s SER 43 Ca 0.00 -0.56 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1h8p s SER 43 Cb 0.00 0.50 -0.23 0.00 0.10 0.00 0.00 66.02 66.39 1h8p s SER 43 CO 0.00 -0.96 0.14 -0.11 0.98 0.00 0.00 173.24 173.29 1h8p n LEU 44 N -0.58 1.27 -4.64 2.42 7.94 -1.26 -4.78 117.00 117.37 1h8p n LEU 44 Ca -0.05 0.07 -0.34 0.00 -1.11 0.00 0.00 56.01 54.57 1h8p n LEU 44 Cb 0.60 -0.13 -0.10 0.00 0.53 0.00 0.00 43.42 44.32 1h8p n LEU 44 CO 0.18 0.64 -0.34 0.12 -1.11 0.00 0.00 177.39 176.88 1h8p s PHE 45 N -2.53 3.07 0.27 1.96 5.36 -1.26 -4.98 117.98 119.88 1h8p s PHE 45 Ca -0.17 0.13 -0.30 0.00 -0.96 0.00 0.00 56.93 55.62 1h8p s PHE 45 Cb 0.07 -1.75 -0.13 0.00 -0.34 0.00 0.00 43.02 40.87 1h8p s PHE 45 CO 0.76 0.42 1.47 -0.35 -1.46 0.00 0.00 175.22 176.06 1h8p n PRO 46 N 2.15 2.31 -4.25 10.12 -0.04 -1.26 -4.71 135.00 139.32 1h8p n PRO 46 Ca -0.18 0.82 -0.16 0.00 -0.04 0.00 0.00 63.50 63.94 1h8p n PRO 46 Cb 0.53 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 1h8p n PRO 46 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1h8p s TRP 47 N -0.14 1.50 -0.01 0.54 1.48 0.39 -0.89 118.94 121.81 1h8p s TRP 47 Ca 0.65 -1.54 -0.16 0.00 -1.06 0.00 0.00 56.10 53.99 1h8p s TRP 47 Cb -0.58 -0.65 0.03 0.00 -1.16 0.00 0.00 33.47 31.11 1h8p s TRP 47 CO 0.51 -0.77 0.33 0.00 -4.06 0.00 0.00 176.95 172.96 1h8p s SER 49 N -1.45 6.94 0.00 0.00 0.15 -1.26 -1.95 113.70 116.12 1h8p s SER 49 Ca -0.12 1.55 0.25 0.00 0.70 0.00 0.00 55.95 58.33 1h8p s SER 49 Cb -0.04 -2.48 0.80 0.00 -1.71 0.00 0.00 66.02 62.58 1h8p s SER 49 CO 0.03 -0.24 1.59 0.18 1.20 0.00 0.00 173.24 176.00 1h8p n LEU 50 N -0.30 1.90 -4.00 3.45 4.77 -0.37 -1.73 117.00 120.71 1h8p n LEU 50 Ca 0.05 -0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 55.19 1h8p n LEU 50 Cb 0.53 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1h8p n LEU 50 CO 0.40 0.35 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.61 1h8p s ASP 51 N -1.82 0.63 0.27 -1.43 1.11 -1.26 -4.64 116.67 109.53 1h8p s ASP 51 Ca 0.35 -0.35 -0.00 0.00 0.18 0.00 0.00 52.55 52.73 1h8p s ASP 51 Cb 0.20 0.01 0.52 0.00 1.07 0.00 0.00 42.92 44.72 1h8p s ASP 51 CO 0.31 -0.11 1.80 0.00 1.18 0.00 0.00 175.17 178.35 1h8p h ALA 52 N 5.16 1.36 -3.07 5.23 0.00 -1.85 -3.32 119.26 122.78 1h8p h ALA 52 Ca -0.32 0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.97 1h8p h ALA 52 Cb 1.20 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.61 1h8p h ALA 52 CO 0.45 0.06 -0.64 -0.51 0.00 0.00 0.00 179.25 178.61 1h8p s ASP 53 N -5.55 5.02 -0.02 0.00 1.11 -1.26 0.07 116.67 116.04 1h8p s ASP 53 Ca -0.12 -0.76 -0.34 0.00 0.18 0.00 0.00 52.55 51.50 1h8p s ASP 53 Cb 0.22 -1.85 -0.13 0.00 1.07 0.00 0.00 42.92 42.23 1h8p s ASP 53 CO 0.79 -0.19 1.77 0.00 1.18 0.00 0.00 175.17 178.72 1h8p n TYR 54 N 4.83 2.27 -2.25 4.23 9.36 -0.80 -4.86 117.16 129.94 1h8p n TYR 54 Ca -0.15 0.12 0.05 0.00 3.32 0.00 0.00 57.90 61.24 1h8p n TYR 54 Cb 0.48 -2.61 0.07 0.00 -0.63 0.00 0.00 39.34 36.65 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 4.52 0.59 0.00 2.97 0.24 -1.26 -4.98 118.33 120.41 1h8p n VAL 55 Ca 0.21 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1h8p n VAL 55 Cb 0.28 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.06 0.62 3.63 7.63 0.00 -1.26 -5.06 105.19 110.82 1h8p n GLY 56 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.98 4.06 0.30 1.61 0.52 -1.26 -5.04 118.95 118.16 1h8p s ARG 57 Ca 0.00 0.03 -0.20 0.00 -0.52 0.00 0.00 55.73 55.05 1h8p s ARG 57 Cb 0.00 -3.61 0.04 0.00 0.52 0.00 0.00 34.95 31.90 1h8p s ARG 57 CO 0.00 -0.17 0.77 1.67 0.02 0.00 0.00 175.30 177.59 1h8p s TRP 58 N 1.74 -0.07 0.09 -0.53 1.48 -1.26 -1.23 118.94 119.16 1h8p s TRP 58 Ca 0.15 -0.45 -0.22 0.00 -1.06 0.00 0.00 56.10 54.52 1h8p s TRP 58 Cb -0.15 0.75 0.06 0.00 -1.16 0.00 0.00 33.47 32.96 1h8p s TRP 58 CO 0.09 -1.31 0.54 -1.59 -4.06 0.00 0.00 176.95 170.62 1h8p s LYS 59 N -3.26 1.13 0.32 3.25 -2.85 -0.83 -4.90 119.74 112.60 1h8p s LYS 59 Ca 0.13 -0.37 -0.27 0.00 -1.00 0.00 0.00 55.97 54.47 1h8p s LYS 59 Cb -0.05 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 1h8p s LYS 59 CO 0.08 -0.44 1.00 0.71 0.10 0.00 0.00 175.35 176.79 1h8p s TYR 60 N -3.06 3.62 -0.02 1.78 2.02 -1.26 -1.44 117.35 118.99 1h8p s TYR 60 Ca -0.02 1.76 -0.24 0.00 -0.37 0.00 0.00 57.07 58.20 1h8p s TYR 60 Cb -0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1h8p s TYR 60 CO -0.07 -0.08 0.72 0.00 -1.57 0.00 0.00 175.55 174.55 1h8p s ALA 62 N 0.38 4.38 0.27 0.00 0.00 -1.26 -4.90 121.76 120.64 1h8p s ALA 62 Ca 0.38 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.54 1h8p s ALA 62 Cb -0.19 -1.69 0.58 0.00 0.00 0.00 0.00 23.12 21.82 1h8p s ALA 62 CO 0.20 -0.72 1.74 0.37 0.00 0.00 0.00 175.76 177.35 1h8p h GLN 63 N 0.22 0.54 0.00 0.00 -0.00 -2.00 -1.53 115.11 112.35 1h8p h GLN 63 Ca -0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1h8p h GLN 63 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1h8p h GLN 63 CO 0.44 0.36 0.00 0.07 0.00 0.00 0.00 178.83 179.70 1h8p h ARG 64 N 0.55 0.00 0.00 1.69 0.11 -2.02 -3.15 114.38 111.57 1h8p h ARG 64 Ca 0.48 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.55 1h8p h ARG 64 Cb 0.75 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 1h8p h ARG 64 CO -0.41 0.00 -0.08 -0.44 0.10 0.00 0.00 179.97 179.14 1h8p h ASP 65 N 0.00 0.00 -4.01 0.08 3.32 -1.64 -3.46 116.42 110.70 1h8p h ASP 65 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1h8p h ASP 65 Cb 0.45 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.11 1h8p h ASP 65 CO 0.00 0.08 0.61 -0.31 -1.72 0.00 0.00 179.24 177.91 1h8p s TYR 66 N -3.29 2.50 0.59 4.55 1.51 -1.19 -4.79 117.35 117.23 1h8p s TYR 66 Ca 0.05 1.38 -0.20 0.00 -1.01 0.00 0.00 57.07 57.29 1h8p s TYR 66 Cb 0.06 -3.75 -0.03 0.00 -0.11 0.00 0.00 41.96 38.13 1h8p s TYR 66 CO 0.65 -2.58 1.27 0.00 -1.11 0.00 0.00 175.55 173.78 1h8p n ALA 67 N -0.56 1.18 -2.79 3.71 0.00 -1.26 -5.02 120.51 115.77 1h8p n ALA 67 Ca 0.08 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1h8p n ALA 67 Cb 0.44 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -3.05 3.03 0.55 0.00 3.01 -1.26 -5.06 119.74 116.96 1h8p s LYS 68 Ca 0.77 -1.02 -0.21 0.00 -1.01 0.00 0.00 55.97 54.51 1h8p s LYS 68 Cb -0.40 -2.64 -0.06 0.00 -1.01 0.00 0.00 37.83 33.72 1h8p s LYS 68 CO 0.45 0.35 1.13 0.00 0.51 0.00 0.00 175.35 177.78 1h8p s VAL 70 N -1.39 3.15 -0.04 0.00 1.01 -0.43 -5.01 120.40 117.70 1h8p s VAL 70 Ca 0.73 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1h8p s VAL 70 Cb -0.44 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1h8p s VAL 70 CO 0.49 0.20 -0.23 -0.36 0.00 0.00 0.00 175.10 175.20 1h8p s PHE 71 N 1.38 2.14 0.68 5.22 2.99 -1.26 -3.91 117.98 125.22 1h8p s PHE 71 Ca 0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 56.93 56.33 1h8p s PHE 71 Cb -0.16 -1.40 0.05 0.00 0.00 0.00 0.00 43.02 41.50 1h8p s PHE 71 CO -0.03 -0.14 0.99 -1.25 -0.00 0.00 0.00 175.22 174.79 1h8p s PRO 72 N -0.26 2.34 0.04 0.24 0.04 -1.26 -5.09 135.00 131.05 1h8p s PRO 72 Ca 0.01 -0.21 0.01 0.00 0.04 0.00 0.00 61.00 60.85 1h8p s PRO 72 Cb -0.11 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1h8p s PRO 72 CO 0.02 -1.13 -0.06 -0.59 0.04 0.00 0.00 177.00 175.28 1h8p s PHE 73 N -3.19 0.56 -0.18 0.56 -0.71 -0.32 -4.60 117.98 110.10 1h8p s PHE 73 Ca 0.59 -0.56 -0.17 0.00 -1.04 0.00 0.00 56.93 55.75 1h8p s PHE 73 Cb -0.11 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1h8p s PHE 73 CO 0.45 -0.13 0.45 0.42 -1.34 0.00 0.00 175.22 175.07 1h8p s ILE 74 N -1.67 5.17 -0.08 -4.49 1.01 -0.31 -0.48 121.20 120.36 1h8p s ILE 74 Ca -0.10 0.84 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 1h8p s ILE 74 Cb -0.08 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1h8p s ILE 74 CO -0.01 0.25 0.15 -0.47 0.00 0.00 0.00 174.94 174.86 1h8p s TYR 75 N 1.20 -0.16 -1.50 3.97 5.04 0.04 -0.98 117.35 124.96 1h8p s TYR 75 Ca 0.22 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1h8p s TYR 75 Cb -0.15 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1h8p s TYR 75 CO 0.09 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1h8p n GLY 76 N 5.10 -0.16 2.45 8.97 0.00 -1.26 -1.69 105.19 118.60 1h8p n GLY 76 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.00 0.39 3.51 -0.02 0.00 -1.26 -5.00 105.19 101.81 1h8p n GLY 77 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 1.86 -0.19 1.61 -0.14 -0.68 -5.10 119.74 116.51 1h8p s LYS 78 Ca 0.00 -1.34 -0.19 0.00 -1.36 0.00 0.00 55.97 53.08 1h8p s LYS 78 Cb 0.00 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.06 1h8p s LYS 78 CO 0.00 0.43 0.54 0.21 -0.76 0.00 0.00 175.35 175.77 1h8p s LYS 79 N -2.71 4.21 -0.12 1.68 2.20 -1.26 -0.78 119.74 122.95 1h8p s LYS 79 Ca 0.23 0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1h8p s LYS 79 Cb -0.09 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1h8p s LYS 79 CO 0.13 -0.14 -0.11 0.71 -0.36 0.00 0.00 175.35 175.57 1h8p s TYR 80 N 1.61 2.85 -1.17 4.03 1.51 0.37 -4.94 117.35 121.61 1h8p s TYR 80 Ca 0.25 -0.49 0.19 0.00 -1.01 0.00 0.00 57.07 56.01 1h8p s TYR 80 Cb -0.16 -1.84 -0.13 0.00 -0.11 0.00 0.00 41.96 39.72 1h8p s TYR 80 CO 0.10 -0.11 0.85 0.39 -1.11 0.00 0.00 175.55 175.67 1h8p n GLU 81 N 3.34 1.11 -4.18 -0.62 -0.58 -1.26 -1.17 120.64 117.28 1h8p n GLU 81 Ca -0.18 -0.31 -0.17 0.00 -0.42 0.00 0.00 57.16 56.08 1h8p n GLU 81 Cb 0.53 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 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 -2.55 0.00 0.77 2.62 -4.23 -1.26 -4.89 115.64 106.09 1h8p s THR 82 Ca 0.10 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 1h8p s THR 82 Cb 0.14 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.47 1h8p s THR 82 CO 0.66 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.86 1h8p s THR 84 N -2.67 0.09 -0.63 0.00 -1.32 -0.15 -4.86 115.64 106.09 1h8p s THR 84 Ca 0.64 -0.71 0.24 0.00 -1.21 0.00 0.00 61.69 60.65 1h8p s THR 84 Cb -0.20 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 1h8p s THR 84 CO 0.53 -0.39 1.25 1.17 -2.21 0.00 0.00 174.62 174.97 1h8p n LYS 85 N 1.73 0.30 -1.70 7.08 3.00 -1.26 -0.67 118.16 126.63 1h8p n LYS 85 Ca -0.22 0.07 -0.44 0.00 -0.00 0.00 0.00 58.31 57.72 1h8p n LYS 85 Cb 0.56 -1.67 -0.03 0.00 0.00 0.00 0.00 35.03 33.89 1h8p n LYS 85 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1h8p n ILE 86 N -2.09 0.02 -0.24 3.15 2.08 -1.26 -1.97 119.36 119.06 1h8p n ILE 86 Ca 0.03 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1h8p n ILE 86 Cb 0.44 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 1h8p n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1h8p n GLY 87 N 3.70 1.51 3.53 7.39 0.00 -1.26 -4.96 105.19 115.11 1h8p n GLY 87 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1h8p n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h8p s SER 88 N -3.18 4.46 0.19 1.61 0.15 -0.83 -5.00 113.70 111.11 1h8p s SER 88 Ca 0.00 -0.10 0.26 0.00 0.70 0.00 0.00 55.95 56.81 1h8p s SER 88 Cb 0.00 -1.18 0.88 0.00 -1.71 0.00 0.00 66.02 64.00 1h8p s SER 88 CO 0.00 0.33 1.78 0.23 1.20 0.00 0.00 173.24 176.77 1h8p n MET 89 N 2.46 0.22 0.00 5.44 2.81 -1.26 -4.59 117.12 122.20 1h8p n MET 89 Ca -0.18 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1h8p n MET 89 Cb 0.53 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1h8p n MET 89 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1h8p n TRP 90 N -2.17 0.00 -3.87 2.03 7.02 -1.26 -5.15 117.44 114.04 1h8p n TRP 90 Ca 0.05 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 1h8p n TRP 90 Cb 0.39 0.10 -0.08 0.00 -2.42 0.00 0.00 31.31 29.31 1h8p n TRP 90 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1h8p s MET 91 N -1.59 0.78 0.50 -0.99 0.00 -1.26 -5.14 119.30 111.60 1h8p s MET 91 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 55.69 54.57 1h8p s MET 91 Cb 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 34.83 35.09 1h8p s MET 91 CO 0.00 -0.24 1.30 -1.12 0.00 0.00 0.00 175.02 174.96 1h8p s SER 92 N -2.66 5.67 0.25 1.11 0.01 -1.26 -4.73 113.70 112.09 1h8p s SER 92 Ca 0.02 2.62 -0.02 0.00 1.31 0.00 0.00 55.95 59.88 1h8p s SER 92 Cb 0.03 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1h8p s SER 92 CO -0.09 -1.29 0.27 -1.66 0.41 0.00 0.00 173.24 170.89 1h8p s TRP 93 N -1.37 1.11 0.06 2.43 1.48 0.15 -1.13 118.94 121.66 1h8p s TRP 93 Ca 0.67 -1.30 -0.08 0.00 -1.06 0.00 0.00 56.10 54.33 1h8p s TRP 93 Cb -0.37 -0.38 -0.00 0.00 -1.16 0.00 0.00 33.47 31.56 1h8p s TRP 93 CO 0.44 -0.82 0.17 0.00 -4.06 0.00 0.00 176.95 172.68 1h8p s SER 95 N -2.42 6.68 -0.15 0.00 0.15 -1.26 -1.80 113.70 114.89 1h8p s SER 95 Ca -0.01 1.67 0.16 0.00 0.70 0.00 0.00 55.95 58.47 1h8p s SER 95 Cb 0.02 -2.53 0.69 0.00 -1.71 0.00 0.00 66.02 62.49 1h8p s SER 95 CO -0.07 -0.55 1.61 0.18 1.20 0.00 0.00 173.24 175.61 1h8p n LEU 96 N -1.16 4.80 -3.67 3.45 4.77 -0.21 -1.31 117.00 123.68 1h8p n LEU 96 Ca 0.07 -2.66 -0.10 0.00 -0.03 0.00 0.00 56.01 53.29 1h8p n LEU 96 Cb 0.54 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1h8p n LEU 96 CO 0.42 0.73 0.25 -0.94 -1.33 0.00 0.00 177.39 176.52 1h8p s SER 97 N -1.05 -0.29 0.54 -1.43 1.04 -1.26 -4.82 113.70 106.42 1h8p s SER 97 Ca 0.49 -0.37 0.36 0.00 0.48 0.00 0.00 55.95 56.91 1h8p s SER 97 Cb 0.34 0.55 1.85 0.00 0.10 0.00 0.00 66.02 68.85 1h8p s SER 97 CO 0.19 -0.98 2.09 -0.65 0.98 0.00 0.00 173.24 174.88 1h8p h PRO 98 N 2.23 0.00 -2.96 4.02 0.11 -1.87 -3.37 132.00 130.16 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 1.27 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.98 1h8p h PRO 98 CO 0.41 0.00 -0.79 1.21 -0.21 0.00 0.00 178.00 178.62 1h8p s ASN 99 N -4.93 3.50 0.18 -2.05 3.04 -1.26 -1.16 114.94 112.26 1h8p s ASN 99 Ca -0.03 -1.96 -0.10 0.00 0.04 0.00 0.00 52.86 50.81 1h8p s ASN 99 Cb 0.10 -0.65 0.08 0.00 -1.54 0.00 0.00 41.25 39.25 1h8p s ASN 99 CO 0.39 -0.35 1.70 0.22 -3.04 0.00 0.00 177.10 176.01 1h8p h TYR 100 N 7.51 1.05 -0.98 0.43 3.20 -1.23 -0.79 116.97 126.16 1h8p h TYR 100 Ca -0.06 -0.12 0.15 0.00 3.14 0.00 0.00 58.73 61.84 1h8p h TYR 100 Cb 0.98 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.86 1h8p h TYR 100 CO 0.40 0.87 0.59 -0.44 -1.64 0.00 0.00 178.16 177.94 1h8p h ASP 101 N 0.93 0.81 0.00 -2.11 3.45 -1.89 0.74 116.42 118.35 1h8p h ASP 101 Ca 0.20 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.73 1h8p h ASP 101 Cb 0.34 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1h8p h ASP 101 CO -0.00 0.37 -0.00 0.50 -1.57 0.00 0.00 179.24 178.53 1h8p h LYS 102 N 0.85 -0.00 0.00 3.56 3.64 -1.80 -3.40 116.57 119.42 1h8p h LYS 102 Ca 0.52 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.71 1h8p h LYS 102 Cb 0.67 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1h8p h LYS 102 CO -0.32 0.90 -1.35 -0.44 -2.27 0.00 0.00 179.45 175.97 1h8p h ASP 103 N -0.99 0.00 -2.26 4.20 3.45 -1.01 -3.48 116.42 116.33 1h8p h ASP 103 Ca -0.00 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.08 1h8p h ASP 103 Cb 0.90 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.59 1h8p h ASP 103 CO 0.00 0.71 -0.42 0.54 -1.57 0.00 0.00 179.24 178.50 1h8p n ARG 104 N -3.00 -1.63 -3.67 3.56 5.12 0.26 -4.97 116.66 112.33 1h8p n ARG 104 Ca -0.09 1.00 -0.36 0.00 -1.93 0.00 0.00 57.85 56.46 1h8p n ARG 104 Cb 0.89 -5.52 -0.07 0.00 -1.16 0.00 0.00 32.46 26.60 1h8p n ARG 104 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1h8p s ALA 105 N -2.78 3.70 0.35 7.54 0.00 -1.26 -5.05 121.76 124.25 1h8p s ALA 105 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1h8p s ALA 105 Cb 0.00 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.93 1h8p s ALA 105 CO 0.00 0.30 0.73 1.67 0.00 0.00 0.00 175.76 178.46 1h8p s TRP 106 N -0.17 0.13 0.11 0.00 1.48 -1.26 -1.04 118.94 118.19 1h8p s TRP 106 Ca 0.15 -0.70 -0.19 0.00 -1.06 0.00 0.00 56.10 54.31 1h8p s TRP 106 Cb -0.13 0.70 0.05 0.00 -1.16 0.00 0.00 33.47 32.93 1h8p s TRP 106 CO 0.04 -1.42 0.47 -1.59 -4.06 0.00 0.00 176.95 170.38 1h8p s LYS 107 N -2.87 1.09 0.55 3.25 -2.85 -0.75 -4.83 119.74 113.34 1h8p s LYS 107 Ca 0.16 -0.54 -0.12 0.00 -1.00 0.00 0.00 55.97 54.47 1h8p s LYS 107 Cb -0.05 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.16 1h8p s LYS 107 CO 0.11 -0.43 0.96 0.71 0.10 0.00 0.00 175.35 176.80 1h8p s TYR 108 N -3.43 3.55 -2.53 1.78 1.51 -1.26 -1.58 117.35 115.38 1h8p s TYR 108 Ca 0.00 1.28 0.20 0.00 -1.01 0.00 0.00 57.07 57.54 1h8p s TYR 108 Cb 0.01 -2.67 0.16 0.00 -0.11 0.00 0.00 41.96 39.34 1h8p s TYR 108 CO -0.10 -0.48 1.14 0.00 -1.11 0.00 0.00 175.55 175.01