#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhm s ILE 1 N 0.00 0.18 0.00 3.17 2.07 -1.26 -5.16 121.20 120.21 3dhm s ILE 1 Ca 0.00 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3dhm s ILE 1 Cb 0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 3dhm s ILE 1 CO 0.00 -0.01 -0.07 0.00 -1.91 0.00 0.00 174.94 172.95 3dhm s GLN 2 N -0.21 0.55 -0.02 3.50 -2.07 -1.26 -4.35 119.66 115.80 3dhm s GLN 2 Ca -0.01 -0.34 -0.00 0.00 -1.82 0.00 0.00 55.36 53.19 3dhm s GLN 2 Cb -0.02 -0.50 0.03 0.00 -1.09 0.00 0.00 33.01 31.43 3dhm s GLN 2 CO -0.00 0.13 0.03 1.03 -1.32 0.00 0.00 175.29 175.17 3dhm s ARG 3 N -0.42 -0.03 0.21 9.60 0.52 0.17 -4.94 118.95 124.06 3dhm s ARG 3 Ca 0.01 0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.10 3dhm s ARG 3 Cb -0.04 -0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 3dhm s ARG 3 CO -0.00 -0.16 1.23 0.99 0.02 0.00 0.00 175.30 177.38 3dhm s THR 4 N 1.01 3.39 0.50 0.02 2.01 -1.26 -2.50 115.64 118.81 3dhm s THR 4 Ca -0.08 1.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.89 3dhm s THR 4 Cb -0.12 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 3dhm s THR 4 CO -0.03 0.20 1.14 -2.16 -0.69 0.00 0.00 174.62 173.08 3dhm s PRO 5 N -0.39 3.55 0.12 4.92 0.04 -1.26 -4.70 135.00 137.28 3dhm s PRO 5 Ca 0.53 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 3dhm s PRO 5 Cb -0.34 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 3dhm s PRO 5 CO 0.39 -0.71 0.62 0.21 0.04 0.00 0.00 177.00 177.55 3dhm s LYS 6 N -3.02 4.23 -0.11 4.56 2.20 -0.69 -4.88 119.74 122.04 3dhm s LYS 6 Ca 0.69 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.09 3dhm s LYS 6 Cb -0.26 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 3dhm s LYS 6 CO 0.30 0.57 -0.14 0.42 -0.36 0.00 0.00 175.35 176.14 3dhm s ILE 7 N -1.23 1.43 -0.05 5.43 1.01 -1.26 -1.18 121.20 125.35 3dhm s ILE 7 Ca 0.33 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.43 3dhm s ILE 7 Cb -0.19 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3dhm s ILE 7 CO 0.20 0.43 -0.14 -1.10 0.00 0.00 0.00 174.94 174.33 3dhm s GLN 8 N 1.09 1.61 -0.12 2.79 -0.21 -0.66 -4.99 119.66 119.17 3dhm s GLN 8 Ca -0.05 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 54.87 3dhm s GLN 8 Cb -0.14 -1.38 0.01 0.00 1.00 0.00 0.00 33.01 32.50 3dhm s GLN 8 CO -0.03 0.14 -0.18 0.08 -2.12 0.00 0.00 175.29 173.19 3dhm s VAL 9 N 0.28 1.70 0.23 1.09 1.01 -1.26 -0.35 120.40 123.11 3dhm s VAL 9 Ca -0.08 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 3dhm s VAL 9 Cb -0.12 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.76 3dhm s VAL 9 CO 0.02 0.48 0.65 -0.72 0.00 0.00 0.00 175.10 175.53 3dhm s TYR 10 N 0.94 -0.26 0.09 5.22 1.13 -0.58 -4.61 117.35 119.28 3dhm s TYR 10 Ca -0.06 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 55.57 3dhm s TYR 10 Cb -0.15 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3dhm s TYR 10 CO -0.02 -1.07 -0.20 -1.54 -2.51 0.00 0.00 175.55 170.22 3dhm s SER 11 N -2.87 3.75 -0.03 -0.18 1.04 -1.21 -0.33 113.70 113.87 3dhm s SER 11 Ca 0.08 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 3dhm s SER 11 Cb -0.04 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.58 3dhm s SER 11 CO -0.00 0.21 0.08 -0.13 0.98 0.00 0.00 173.24 174.38 3dhm s ARG 12 N -1.82 0.09 -0.22 4.02 1.81 -0.76 -4.98 118.95 117.07 3dhm s ARG 12 Ca 0.16 0.12 -0.08 0.00 -1.72 0.00 0.00 55.73 54.22 3dhm s ARG 12 Cb -0.10 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 3dhm s ARG 12 CO 0.07 -0.02 0.08 -1.01 -0.68 0.00 0.00 175.30 173.74 3dhm s HIS 13 N 0.14 3.17 0.20 -0.53 3.76 -1.26 -0.99 115.29 119.77 3dhm s HIS 13 Ca -0.01 -0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 3dhm s HIS 13 Cb -0.02 -2.18 -0.09 0.00 1.11 0.00 0.00 32.58 31.40 3dhm s HIS 13 CO -0.00 -0.11 1.43 -1.25 -0.85 0.00 0.00 174.74 173.95 3dhm s PRO 14 N 1.09 4.29 0.53 8.40 0.04 -1.26 -4.89 135.00 143.20 3dhm s PRO 14 Ca 0.05 2.22 0.19 0.00 0.04 0.00 0.00 61.00 63.50 3dhm s PRO 14 Cb -0.14 -3.16 1.32 0.00 0.04 0.00 0.00 34.50 32.56 3dhm s PRO 14 CO 0.03 -0.42 2.12 0.00 0.04 0.00 0.00 177.00 178.77 3dhm h ALA 15 N 5.74 2.09 0.00 8.56 0.00 -1.97 -1.14 119.26 132.54 3dhm h ALA 15 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dhm h ALA 15 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dhm h ALA 15 CO 0.82 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 180.31 3dhm n GLU 16 N -4.47 0.14 -3.02 0.00 4.71 -1.26 -4.26 120.64 112.47 3dhm n GLU 16 Ca -0.00 0.12 -0.14 0.00 -0.01 0.00 0.00 57.16 57.12 3dhm n GLU 16 Cb 0.21 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 28.94 3dhm n GLU 16 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3dhm n ASN 17 N -1.91 -2.02 0.16 1.62 5.15 -0.45 -5.04 115.26 112.76 3dhm n ASN 17 Ca 0.06 -2.74 0.13 0.00 -0.60 0.00 0.00 54.58 51.43 3dhm n ASN 17 Cb 0.39 0.72 0.49 0.00 -0.53 0.00 0.00 39.78 40.85 3dhm n ASN 17 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3dhm h GLY 18 N 5.03 0.00 2.00 8.20 0.00 -1.69 -2.51 103.07 114.10 3dhm h GLY 18 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3dhm h GLY 18 CO 0.21 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.25 3dhm h LYS 19 N 0.00 0.00 -6.55 4.80 1.57 -1.97 -3.45 116.57 110.98 3dhm h LYS 19 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3dhm h LYS 19 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3dhm h LYS 19 CO 0.00 0.00 -0.06 -1.54 -0.57 0.00 0.00 179.45 177.28 3dhm s SER 20 N -5.29 6.59 -0.01 0.86 1.04 -0.94 -5.08 113.70 110.87 3dhm s SER 20 Ca 0.05 0.96 0.01 0.00 0.48 0.00 0.00 55.95 57.44 3dhm s SER 20 Cb 0.09 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.97 3dhm s SER 20 CO 0.55 -0.16 -0.02 0.21 0.98 0.00 0.00 173.24 174.80 3dhm s ASN 21 N -2.63 0.29 -0.04 7.02 3.04 -1.26 -4.23 114.94 117.13 3dhm s ASN 21 Ca 0.48 -0.04 0.05 0.00 0.04 0.00 0.00 52.86 53.39 3dhm s ASN 21 Cb -0.11 -0.06 -0.01 0.00 -1.54 0.00 0.00 41.25 39.54 3dhm s ASN 21 CO 0.24 0.01 -0.19 -0.36 -3.04 0.00 0.00 177.10 173.76 3dhm s PHE 22 N 0.13 1.81 -0.23 0.43 0.08 -0.16 -1.10 117.98 118.94 3dhm s PHE 22 Ca -0.01 -0.48 -0.14 0.00 0.12 0.00 0.00 56.93 56.42 3dhm s PHE 22 Cb -0.03 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 3dhm s PHE 22 CO -0.00 -0.14 0.34 -1.17 -0.10 0.00 0.00 175.22 174.15 3dhm s LEU 23 N -0.11 4.12 -0.04 -0.37 2.96 -0.05 -1.83 118.68 123.34 3dhm s LEU 23 Ca -0.01 0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 3dhm s LEU 23 Cb -0.11 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3dhm s LEU 23 CO 0.02 -0.07 -0.19 0.20 -1.32 0.00 0.00 176.35 174.99 3dhm s ASN 24 N 1.18 3.61 -0.18 3.68 -0.87 0.55 -2.14 114.94 120.77 3dhm s ASN 24 Ca 0.15 -0.32 0.01 0.00 -1.57 0.00 0.00 52.86 51.13 3dhm s ASN 24 Cb -0.15 -0.69 0.03 0.00 -0.02 0.00 0.00 41.25 40.41 3dhm s ASN 24 CO 0.08 0.32 -0.17 0.00 -2.57 0.00 0.00 177.10 174.76 3dhm s TYR 26 N 1.34 3.14 -0.29 0.00 5.04 0.53 -1.25 117.35 125.87 3dhm s TYR 26 Ca 0.03 -1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 53.59 3dhm s TYR 26 Cb -0.14 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 39.96 3dhm s TYR 26 CO -0.11 -0.59 0.03 0.08 -1.34 0.00 0.00 175.55 173.61 3dhm s VAL 27 N 1.48 3.38 0.03 3.14 1.01 -0.00 -1.65 120.40 127.79 3dhm s VAL 27 Ca 0.02 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3dhm s VAL 27 Cb -0.17 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3dhm s VAL 27 CO 0.02 0.01 -0.18 -0.94 0.00 0.00 0.00 175.10 174.01 3dhm s SER 28 N 1.37 2.14 -0.50 3.32 1.04 -0.32 -0.53 113.70 120.22 3dhm s SER 28 Ca -0.01 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3dhm s SER 28 Cb -0.18 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.76 3dhm s SER 28 CO -0.00 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.96 3dhm n GLY 29 N 2.02 0.41 3.96 7.32 0.00 0.51 -1.71 105.19 117.71 3dhm n GLY 29 Ca -0.17 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 3dhm n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dhm s PHE 30 N -2.24 3.47 -0.27 1.61 -0.71 -0.83 -4.68 117.98 114.33 3dhm s PHE 30 Ca 0.00 0.08 -0.22 0.00 -1.04 0.00 0.00 56.93 55.74 3dhm s PHE 30 Cb 0.00 -1.64 0.07 0.00 -1.21 0.00 0.00 43.02 40.24 3dhm s PHE 30 CO 0.00 0.45 0.72 -1.58 -1.34 0.00 0.00 175.22 173.47 3dhm s HIS 31 N -1.90 -0.86 1.06 3.49 2.46 -1.04 -1.48 115.29 117.02 3dhm s HIS 31 Ca 0.35 1.97 -0.14 0.00 0.47 0.00 0.00 55.06 57.70 3dhm s HIS 31 Cb -0.10 0.38 0.22 0.00 -0.13 0.00 0.00 32.58 32.95 3dhm s HIS 31 CO 0.29 -0.42 1.10 -1.25 -2.47 0.00 0.00 174.74 171.99 3dhm s PRO 32 N 0.74 -0.10 0.35 2.88 0.04 -1.26 -0.65 135.00 136.99 3dhm s PRO 32 Ca -0.03 0.35 0.27 0.00 0.04 0.00 0.00 61.00 61.63 3dhm s PRO 32 Cb -0.05 -1.69 0.94 0.00 0.04 0.00 0.00 34.50 33.74 3dhm s PRO 32 CO -0.05 -3.05 1.78 0.66 0.04 0.00 0.00 177.00 176.38 3dhm h SER 33 N -2.12 0.00 -2.41 6.66 4.64 -1.98 -3.45 113.55 114.90 3dhm h SER 33 Ca -0.53 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.23 3dhm h SER 33 Cb 1.33 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.47 3dhm h SER 33 CO 0.52 0.00 0.91 0.47 -0.87 0.00 0.00 176.83 177.86 3dhm n ASP 34 N -2.58 3.50 -3.50 4.97 10.43 -1.26 -4.96 116.55 123.14 3dhm n ASP 34 Ca 0.03 1.06 -0.12 0.00 2.57 0.00 0.00 54.79 58.33 3dhm n ASP 34 Cb 0.34 -1.48 -0.04 0.00 1.84 0.00 0.00 41.12 41.78 3dhm n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3dhm s ILE 35 N 1.32 0.00 -0.07 0.53 2.07 -1.26 -4.69 121.20 119.10 3dhm s ILE 35 Ca 0.79 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.03 3dhm s ILE 35 Cb -0.60 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.01 3dhm s ILE 35 CO 0.37 0.00 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.62 3dhm s GLU 36 N -2.37 1.31 -0.03 3.50 2.12 -0.64 -5.02 118.70 117.58 3dhm s GLU 36 Ca -0.01 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3dhm s GLU 36 Cb -0.01 -1.24 0.03 0.00 0.26 0.00 0.00 34.13 33.17 3dhm s GLU 36 CO -0.03 -0.10 0.01 0.08 -0.54 0.00 0.00 175.26 174.67 3dhm s VAL 37 N 1.10 0.13 0.05 3.70 1.01 -1.26 -0.79 120.40 124.34 3dhm s VAL 37 Ca -0.07 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3dhm s VAL 37 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3dhm s VAL 37 CO -0.01 0.13 -0.12 -1.81 0.00 0.00 0.00 175.10 173.29 3dhm s ASP 38 N 1.01 1.46 0.04 3.32 1.01 -0.10 -5.00 116.67 118.40 3dhm s ASP 38 Ca -0.10 -0.50 -0.17 0.00 0.71 0.00 0.00 52.55 52.48 3dhm s ASP 38 Cb -0.13 -0.06 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 3dhm s ASP 38 CO -0.02 -0.04 0.50 -0.76 0.21 0.00 0.00 175.17 175.05 3dhm s LEU 39 N -1.36 4.50 -0.02 1.23 1.43 -1.26 -0.68 118.68 122.52 3dhm s LEU 39 Ca -0.02 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 3dhm s LEU 39 Cb -0.09 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 3dhm s LEU 39 CO 0.01 0.29 -0.25 -0.76 0.23 0.00 0.00 176.35 175.87 3dhm s LEU 40 N -1.05 2.11 -0.20 1.79 1.43 0.47 -0.70 118.68 122.52 3dhm s LEU 40 Ca 0.27 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3dhm s LEU 40 Cb -0.18 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.71 3dhm s LEU 40 CO 0.16 0.32 -0.17 -0.75 0.23 0.00 0.00 176.35 176.15 3dhm s LYS 41 N -0.62 2.80 -1.52 1.70 2.20 0.08 -1.55 119.74 122.84 3dhm s LYS 41 Ca 0.10 -0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 3dhm s LYS 41 Cb -0.10 -2.68 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3dhm s LYS 41 CO -0.01 -0.31 0.39 0.09 -0.36 0.00 0.00 175.35 175.15 3dhm n ASN 42 N 4.58 -0.59 0.00 1.43 5.03 0.16 -1.54 115.26 124.33 3dhm n ASN 42 Ca -0.19 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.17 3dhm n ASN 42 Cb 0.48 -2.57 0.00 0.00 -1.02 0.00 0.00 39.78 36.67 3dhm n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dhm n GLY 43 N -1.99 2.18 3.72 7.41 0.00 -1.26 -5.00 105.19 110.24 3dhm n GLY 43 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3dhm n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dhm s GLU 44 N -0.16 3.42 0.22 1.61 0.41 -0.59 -5.03 118.70 118.58 3dhm s GLU 44 Ca 0.00 -0.32 -0.31 0.00 -0.41 0.00 0.00 54.97 53.93 3dhm s GLU 44 Cb 0.00 -3.03 -0.11 0.00 -1.78 0.00 0.00 34.13 29.21 3dhm s GLU 44 CO 0.00 0.59 1.66 0.50 -0.49 0.00 0.00 175.26 177.51 3dhm s ARG 45 N -0.52 4.14 -0.27 1.61 3.52 -1.26 -0.74 118.95 125.42 3dhm s ARG 45 Ca 0.10 2.55 -0.25 0.00 -0.13 0.00 0.00 55.73 58.00 3dhm s ARG 45 Cb -0.12 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3dhm s ARG 45 CO 0.02 -0.69 0.86 0.42 -0.81 0.00 0.00 175.30 175.10 3dhm s ILE 46 N 0.82 4.77 0.04 4.11 1.01 0.12 -4.87 121.20 127.21 3dhm s ILE 46 Ca 0.70 1.49 -0.13 0.00 0.00 0.00 0.00 60.65 62.72 3dhm s ILE 46 Cb -0.48 -4.17 -0.34 0.00 0.01 0.00 0.00 42.46 37.48 3dhm s ILE 46 CO 0.36 -0.19 1.02 -0.33 0.00 0.00 0.00 174.94 175.81 3dhm h GLU 47 N 7.85 0.47 -4.55 2.79 5.08 -1.93 -3.41 114.58 120.88 3dhm h GLU 47 Ca -0.23 -0.80 -0.72 0.00 -1.00 0.00 0.00 59.36 56.61 3dhm h GLU 47 Cb 1.09 0.30 -0.21 0.00 0.50 0.00 0.00 28.75 30.43 3dhm h GLU 47 CO 0.90 1.38 -0.07 0.21 -1.00 0.00 0.00 179.01 180.43 3dhm s LYS 48 N -2.61 3.04 -0.26 2.33 2.20 -1.26 -5.01 119.74 118.17 3dhm s LYS 48 Ca -0.08 -1.30 0.01 0.00 -0.36 0.00 0.00 55.97 54.24 3dhm s LYS 48 Cb 0.05 -4.20 0.05 0.00 -1.51 0.00 0.00 37.83 32.21 3dhm s LYS 48 CO 0.93 -1.31 -0.09 0.08 -0.36 0.00 0.00 175.35 174.60 3dhm s VAL 49 N 2.21 2.40 -0.73 4.02 1.01 -1.26 -4.98 120.40 123.08 3dhm s VAL 49 Ca 0.09 -1.43 0.26 0.00 0.00 0.00 0.00 61.98 60.90 3dhm s VAL 49 Cb -0.24 -2.33 0.27 0.00 0.00 0.00 0.00 36.38 34.07 3dhm s VAL 49 CO 0.07 0.06 1.77 -1.84 0.00 0.00 0.00 175.10 175.16 3dhm n GLU 50 N 4.52 0.21 -4.09 2.72 0.28 -1.24 -4.73 120.64 118.31 3dhm n GLU 50 Ca -0.15 0.23 -0.21 0.00 -0.16 0.00 0.00 57.16 56.87 3dhm n GLU 50 Cb 0.44 -1.77 -0.17 0.00 1.43 0.00 0.00 31.44 31.37 3dhm n GLU 50 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3dhm s HIS 51 N -3.13 0.77 -0.29 -1.84 3.76 -0.73 -5.05 115.29 108.78 3dhm s HIS 51 Ca 0.10 -0.22 -0.03 0.00 -0.15 0.00 0.00 55.06 54.75 3dhm s HIS 51 Cb 0.12 -0.72 0.11 0.00 1.11 0.00 0.00 32.58 33.21 3dhm s HIS 51 CO 0.54 -0.23 0.17 0.45 -0.85 0.00 0.00 174.74 174.81 3dhm s SER 52 N 1.13 3.15 -0.26 1.40 0.15 -1.26 -1.17 113.70 116.84 3dhm s SER 52 Ca -0.08 -1.21 -0.04 0.00 0.70 0.00 0.00 55.95 55.32 3dhm s SER 52 Cb -0.14 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 3dhm s SER 52 CO -0.01 -0.43 0.00 -1.81 1.20 0.00 0.00 173.24 172.19 3dhm s ASP 53 N 2.12 4.66 -0.12 5.45 1.01 -0.03 -4.97 116.67 124.79 3dhm s ASP 53 Ca 0.09 -0.72 -0.02 0.00 0.71 0.00 0.00 52.55 52.61 3dhm s ASP 53 Cb -0.16 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 3dhm s ASP 53 CO -0.35 -0.14 -0.02 -0.22 0.21 0.00 0.00 175.17 174.65 3dhm s LEU 54 N 1.42 3.40 0.20 1.23 2.96 -1.26 -1.31 118.68 125.33 3dhm s LEU 54 Ca 0.02 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3dhm s LEU 54 Cb -0.16 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3dhm s LEU 54 CO -0.01 0.28 0.20 -0.94 -1.32 0.00 0.00 176.35 174.55 3dhm s SER 55 N -0.31 0.11 0.07 3.68 1.04 -0.12 -5.01 113.70 113.18 3dhm s SER 55 Ca 0.06 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.24 3dhm s SER 55 Cb -0.12 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3dhm s SER 55 CO 0.02 -0.89 -0.08 0.72 0.98 0.00 0.00 173.24 174.00 3dhm s PHE 56 N -4.12 0.82 0.00 5.02 -0.71 -1.26 -1.20 117.98 116.53 3dhm s PHE 56 Ca 0.34 -0.69 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 3dhm s PHE 56 Cb 0.05 -0.48 0.00 0.00 -1.21 0.00 0.00 43.02 41.39 3dhm s PHE 56 CO 0.10 -0.10 0.00 -1.13 -1.34 0.00 0.00 175.22 172.75 3dhm n SER 57 N 0.71 0.00 -4.71 1.98 3.41 -0.76 -5.00 113.62 109.25 3dhm n SER 57 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 3dhm n SER 57 Cb 0.58 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.65 3dhm n SER 57 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dhm s LYS 58 N 0.24 1.70 0.49 4.33 -0.14 -1.26 -4.90 119.74 120.20 3dhm s LYS 58 Ca 0.00 1.62 0.39 0.00 -1.36 0.00 0.00 55.97 56.62 3dhm s LYS 58 Cb 0.00 -1.80 1.59 0.00 -1.68 0.00 0.00 37.83 35.94 3dhm s LYS 58 CO 0.00 -2.14 1.58 -1.35 -0.76 0.00 0.00 175.35 172.69 3dhm h PRO 59 N -1.01 0.01 0.00 -1.68 0.11 -2.04 -2.06 132.00 125.34 3dhm h PRO 59 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dhm h PRO 59 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dhm h PRO 59 CO 0.47 0.01 -0.05 -2.67 -0.21 0.00 0.00 178.00 175.54 3dhm n TRP 60 N -4.43 0.00 -3.73 0.65 2.14 -1.26 -4.88 117.44 105.93 3dhm n TRP 60 Ca 0.42 -0.55 -0.27 0.00 2.07 0.00 0.00 57.50 59.17 3dhm n TRP 60 Cb 1.73 -0.08 -0.17 0.00 -0.81 0.00 0.00 31.31 31.99 3dhm n TRP 60 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 3dhm s SER 61 N -1.46 2.86 0.24 -0.67 0.15 -0.78 -4.49 113.70 109.54 3dhm s SER 61 Ca 0.10 -0.80 0.07 0.00 0.70 0.00 0.00 55.95 56.02 3dhm s SER 61 Cb 0.09 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 3dhm s SER 61 CO 0.01 -0.31 0.16 -0.36 1.20 0.00 0.00 173.24 173.95 3dhm s PHE 62 N 1.87 3.08 -0.06 3.44 0.40 -0.55 -1.83 117.98 124.32 3dhm s PHE 62 Ca -0.01 -0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 3dhm s PHE 62 Cb -0.17 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 41.99 3dhm s PHE 62 CO -0.08 0.53 0.14 0.71 0.70 0.00 0.00 175.22 177.22 3dhm s TYR 63 N -2.07 -0.15 -0.08 0.36 2.02 -0.34 -0.36 117.35 116.72 3dhm s TYR 63 Ca 0.32 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.48 3dhm s TYR 63 Cb -0.08 -0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.43 3dhm s TYR 63 CO 0.24 -0.15 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.83 3dhm s LEU 64 N 1.01 1.24 -0.24 -1.29 2.96 0.31 -0.94 118.68 121.73 3dhm s LEU 64 Ca -0.08 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 3dhm s LEU 64 Cb -0.10 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 3dhm s LEU 64 CO -0.05 -0.08 0.05 -0.22 -1.32 0.00 0.00 176.35 174.73 3dhm s LEU 65 N 1.34 3.38 -0.21 -0.68 2.96 -0.42 -0.82 118.68 124.23 3dhm s LEU 65 Ca -0.03 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3dhm s LEU 65 Cb -0.14 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.71 3dhm s LEU 65 CO -0.03 -0.01 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.43 3dhm s TYR 66 N 1.46 2.44 0.09 5.38 5.04 -0.38 -0.85 117.35 130.53 3dhm s TYR 66 Ca 0.05 -1.67 -0.15 0.00 -2.44 0.00 0.00 57.07 52.86 3dhm s TYR 66 Cb -0.15 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.56 3dhm s TYR 66 CO 0.03 -0.76 0.35 1.52 -1.34 0.00 0.00 175.55 175.35 3dhm s TYR 67 N 1.38 -0.14 0.00 4.97 -0.85 -0.31 -0.81 117.35 121.59 3dhm s TYR 67 Ca -0.03 -0.11 -0.28 0.00 -0.52 0.00 0.00 57.07 56.12 3dhm s TYR 67 Cb -0.17 0.17 0.07 0.00 0.38 0.00 0.00 41.96 42.41 3dhm s TYR 67 CO -0.07 -0.62 0.64 -0.08 -1.52 0.00 0.00 175.55 173.90 3dhm s THR 68 N -3.37 0.00 0.35 -3.49 -1.32 -0.91 -1.77 115.64 105.14 3dhm s THR 68 Ca 0.01 -0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.17 3dhm s THR 68 Cb 0.01 -0.99 -0.11 0.00 -1.51 0.00 0.00 72.50 69.91 3dhm s THR 68 CO -0.09 -0.02 1.48 -0.70 -2.21 0.00 0.00 174.62 173.09 3dhm s GLU 69 N -1.83 4.14 0.23 7.08 2.12 -1.26 -0.88 118.70 128.31 3dhm s GLU 69 Ca -0.08 2.53 -0.07 0.00 0.36 0.00 0.00 54.97 57.70 3dhm s GLU 69 Cb -0.00 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 3dhm s GLU 69 CO 0.04 -0.51 0.34 -0.59 -0.54 0.00 0.00 175.26 174.00 3dhm s PHE 70 N -0.90 0.74 -0.43 5.30 -0.71 -0.26 -4.85 117.98 116.88 3dhm s PHE 70 Ca 0.54 -1.03 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 3dhm s PHE 70 Cb -0.46 -0.14 0.16 0.00 -1.21 0.00 0.00 43.02 41.37 3dhm s PHE 70 CO 0.59 -0.86 0.31 0.95 -1.34 0.00 0.00 175.22 174.87 3dhm s THR 71 N -4.01 0.71 0.44 -4.49 -4.23 -1.26 -4.29 115.64 98.52 3dhm s THR 71 Ca 0.30 -2.55 -0.23 0.00 -1.18 0.00 0.00 61.69 58.02 3dhm s THR 71 Cb 0.02 -1.50 -0.08 0.00 1.34 0.00 0.00 72.50 72.29 3dhm s THR 71 CO 0.11 -1.10 1.15 -2.16 -0.54 0.00 0.00 174.62 172.09 3dhm s PRO 72 N 0.22 3.85 0.30 3.99 0.04 -1.26 -5.07 135.00 137.07 3dhm s PRO 72 Ca 0.26 1.75 0.10 0.00 0.04 0.00 0.00 61.00 63.15 3dhm s PRO 72 Cb -0.08 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 3dhm s PRO 72 CO -0.11 -0.47 -0.07 0.95 0.04 0.00 0.00 177.00 177.34 3dhm s THR 73 N -1.54 2.82 0.55 1.26 -4.23 -1.26 -5.05 115.64 108.18 3dhm s THR 73 Ca 0.62 -2.11 0.23 0.00 -1.18 0.00 0.00 61.69 59.25 3dhm s THR 73 Cb -0.28 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.26 3dhm s THR 73 CO 0.34 -0.32 2.10 -0.33 -0.54 0.00 0.00 174.62 175.87 3dhm h GLU 74 N 2.00 0.00 -0.02 3.99 5.08 -2.03 -1.83 114.58 121.78 3dhm h GLU 74 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3dhm h GLU 74 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3dhm h GLU 74 CO 0.63 0.00 -0.01 1.63 -1.00 0.00 0.00 179.01 180.26 3dhm n LYS 75 N -4.25 1.72 -3.35 2.33 5.02 -1.26 -4.88 118.16 113.49 3dhm n LYS 75 Ca 0.02 -1.06 -0.38 0.00 -2.02 0.00 0.00 58.31 54.86 3dhm n LYS 75 Cb 0.30 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3dhm n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dhm s ASP 76 N -2.01 6.86 -0.18 4.39 1.01 -0.69 -5.07 116.67 120.97 3dhm s ASP 76 Ca 0.36 1.02 -0.06 0.00 0.71 0.00 0.00 52.55 54.58 3dhm s ASP 76 Cb 0.21 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 3dhm s ASP 76 CO 0.34 0.19 0.03 -1.61 0.21 0.00 0.00 175.17 174.32 3dhm s GLU 77 N -0.47 3.83 0.14 8.23 2.02 -1.26 -4.83 118.70 126.37 3dhm s GLU 77 Ca 0.27 -0.42 0.10 0.00 0.02 0.00 0.00 54.97 54.94 3dhm s GLU 77 Cb -0.17 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 3dhm s GLU 77 CO 0.14 0.20 -0.23 0.71 0.02 0.00 0.00 175.26 176.11 3dhm s TYR 78 N 0.53 2.40 0.19 1.61 1.51 -1.26 0.37 117.35 122.70 3dhm s TYR 78 Ca 0.01 -0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 55.56 3dhm s TYR 78 Cb -0.13 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3dhm s TYR 78 CO 0.02 0.40 0.53 0.00 -1.11 0.00 0.00 175.55 175.38 3dhm s ALA 79 N -1.25 -0.97 -0.09 3.71 0.00 -0.59 -0.55 121.76 122.02 3dhm s ALA 79 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3dhm s ALA 79 Cb -0.10 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3dhm s ALA 79 CO 0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 175.76 174.83 3dhm s ARG 81 N 0.07 3.02 -0.04 0.00 3.52 0.15 -0.55 118.95 125.12 3dhm s ARG 81 Ca -0.09 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 54.71 3dhm s ARG 81 Cb -0.15 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3dhm s ARG 81 CO 0.06 -0.03 -0.18 0.08 -0.81 0.00 0.00 175.30 174.41 3dhm s VAL 82 N 0.86 1.50 -0.05 7.11 1.01 -0.31 -0.92 120.40 129.60 3dhm s VAL 82 Ca -0.06 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.20 3dhm s VAL 82 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3dhm s VAL 82 CO -0.03 0.43 -0.20 0.20 0.00 0.00 0.00 175.10 175.50 3dhm s ASN 83 N -0.12 2.52 0.01 3.32 0.01 0.03 -1.18 114.94 119.52 3dhm s ASN 83 Ca -0.00 -0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 51.45 3dhm s ASN 83 Cb -0.10 -0.65 0.07 0.00 0.41 0.00 0.00 41.25 40.98 3dhm s ASN 83 CO 0.01 0.20 0.66 -2.28 -1.51 0.00 0.00 177.10 174.18 3dhm s HIS 84 N -0.09 -0.62 0.58 2.20 5.65 -1.26 -1.62 115.29 120.13 3dhm s HIS 84 Ca -0.02 0.88 0.28 0.00 0.25 0.00 0.00 55.06 56.45 3dhm s HIS 84 Cb -0.12 0.46 1.68 0.00 -1.18 0.00 0.00 32.58 33.42 3dhm s HIS 84 CO 0.02 -0.68 2.16 -0.39 -0.65 0.00 0.00 174.74 175.21 3dhm h VAL 85 N 2.69 0.54 0.00 0.89 -1.51 -1.95 -1.41 116.25 115.51 3dhm h VAL 85 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3dhm h VAL 85 Cb 1.19 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3dhm h VAL 85 CO 0.39 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.08 3dhm n THR 86 N -3.90 0.30 -3.81 7.19 -2.24 -1.26 -4.73 114.28 105.83 3dhm n THR 86 Ca -0.00 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 3dhm n THR 86 Cb 0.22 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 3dhm n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dhm s LEU 87 N -3.19 3.78 0.45 3.22 1.43 -0.53 -4.98 118.68 118.85 3dhm s LEU 87 Ca 0.12 -0.84 0.23 0.00 -1.03 0.00 0.00 54.13 52.60 3dhm s LEU 87 Cb 0.16 -1.82 1.03 0.00 0.03 0.00 0.00 46.19 45.59 3dhm s LEU 87 CO 0.47 -0.20 1.89 0.77 0.23 0.00 0.00 176.35 179.51 3dhm h SER 88 N 8.17 0.00 -4.32 2.29 4.64 -1.84 -3.42 113.55 119.06 3dhm h SER 88 Ca -0.30 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.73 3dhm h SER 88 Cb 1.11 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 3dhm h SER 88 CO 0.59 0.24 -0.69 0.00 -0.87 0.00 0.00 176.83 176.11 3dhm s GLN 89 N -3.90 1.04 0.28 4.77 -2.07 -1.26 -5.13 119.66 113.40 3dhm s GLN 89 Ca -0.01 -1.47 -0.30 0.00 -1.82 0.00 0.00 55.36 51.76 3dhm s GLN 89 Cb 0.12 -0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 31.53 3dhm s GLN 89 CO 0.64 -0.04 1.38 -2.30 -1.32 0.00 0.00 175.29 173.65 3dhm n PRO 90 N -0.19 2.14 -3.59 9.60 -0.02 -1.26 -4.93 135.00 136.75 3dhm n PRO 90 Ca -0.09 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 3dhm n PRO 90 Cb 0.62 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 3dhm n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dhm s LYS 91 N -0.98 4.08 -0.18 -0.52 2.20 -0.33 -4.93 119.74 119.08 3dhm s LYS 91 Ca 0.63 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 56.05 3dhm s LYS 91 Cb -0.60 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 3dhm s LYS 91 CO 0.54 0.01 -0.09 0.42 -0.36 0.00 0.00 175.35 175.88 3dhm s ILE 92 N 1.19 3.22 -0.19 5.43 1.01 -1.26 -1.16 121.20 129.44 3dhm s ILE 92 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3dhm s ILE 92 Cb -0.14 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.94 3dhm s ILE 92 CO 0.06 0.48 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 3dhm s VAL 93 N 0.94 2.30 0.41 2.92 1.01 0.28 -4.96 120.40 123.29 3dhm s VAL 93 Ca -0.01 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 3dhm s VAL 93 Cb -0.15 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 3dhm s VAL 93 CO -0.00 0.49 0.98 -0.54 0.00 0.00 0.00 175.10 176.04 3dhm s LYS 94 N 1.32 4.23 -0.18 2.72 1.02 -1.26 -0.72 119.74 126.87 3dhm s LYS 94 Ca 0.05 1.29 -0.29 0.00 0.02 0.00 0.00 55.97 57.04 3dhm s LYS 94 Cb -0.14 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3dhm s LYS 94 CO -0.11 -0.05 1.04 -0.46 -0.92 0.00 0.00 175.35 174.85 3dhm s TRP 95 N -1.90 3.39 -0.26 3.18 -0.00 0.28 -4.83 118.94 118.79 3dhm s TRP 95 Ca 0.59 1.50 -0.29 0.00 -0.00 0.00 0.00 56.10 57.90 3dhm s TRP 95 Cb -0.15 -3.25 -0.01 0.00 -0.00 0.00 0.00 33.47 30.06 3dhm s TRP 95 CO 0.20 -0.44 1.42 0.34 -0.00 0.00 0.00 176.95 178.47 3dhm s ASP 96 N 1.19 6.58 0.63 5.86 -1.08 -1.26 -4.70 116.67 123.88 3dhm s ASP 96 Ca 0.46 1.39 0.26 0.00 -0.52 0.00 0.00 52.55 54.14 3dhm s ASP 96 Cb -0.17 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.18 3dhm s ASP 96 CO 0.11 -1.13 1.79 0.08 0.52 0.00 0.00 175.17 176.54 3dhm h ARG 97 N 9.77 0.00 0.00 4.34 0.11 -1.97 0.48 114.38 127.12 3dhm h ARG 97 Ca -0.29 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 3dhm h ARG 97 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 3dhm h ARG 97 CO 1.02 0.00 -0.12 0.22 0.10 0.00 0.00 179.97 181.19 3dhm h ASP 98 N 0.00 0.00 -0.02 0.08 -0.00 -2.01 -3.51 116.42 110.95 3dhm h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3dhm h ASP 98 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 3dhm h ASP 98 CO 0.00 0.01 0.00 0.23 -0.00 0.00 0.00 179.24 179.48