#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hhh s ILE 1 N 0.00 3.58 -0.12 3.17 1.01 -1.26 -5.02 121.20 122.56 1hhh s ILE 1 Ca 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.94 1hhh s ILE 1 Cb 0.00 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1hhh s ILE 1 CO 0.00 0.21 0.07 -1.10 0.00 0.00 0.00 174.94 174.12 1hhh s GLN 2 N -0.19 0.05 -0.03 2.79 -0.21 -1.26 -4.40 119.66 116.41 1hhh s GLN 2 Ca 0.53 0.09 0.05 0.00 0.02 0.00 0.00 55.36 56.04 1hhh s GLN 2 Cb -0.33 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.36 1hhh s GLN 2 CO 0.36 -0.53 -0.17 -0.98 -2.12 0.00 0.00 175.29 171.85 1hhh s ARG 3 N 2.13 1.63 0.37 2.91 1.70 -1.00 -4.95 118.95 121.75 1hhh s ARG 3 Ca 0.03 -0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 1hhh s ARG 3 Cb -0.14 -1.48 -0.09 0.00 -0.57 0.00 0.00 34.95 32.66 1hhh s ARG 3 CO -0.07 0.31 1.04 -0.08 -1.08 0.00 0.00 175.30 175.42 1hhh s THR 4 N -0.17 3.77 0.24 4.99 -1.32 -1.26 -1.86 115.64 120.02 1hhh s THR 4 Ca 0.01 1.42 -0.30 0.00 -1.21 0.00 0.00 61.69 61.61 1hhh s THR 4 Cb -0.09 -3.77 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1hhh s THR 4 CO 0.01 0.07 1.34 -2.16 -2.21 0.00 0.00 174.62 171.67 1hhh s PRO 5 N -2.29 4.35 0.15 7.08 0.04 -1.26 -4.27 135.00 138.80 1hhh s PRO 5 Ca 0.55 2.15 -0.19 0.00 0.04 0.00 0.00 61.00 63.55 1hhh s PRO 5 Cb -0.23 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 1hhh s PRO 5 CO 0.29 -0.28 0.64 0.15 0.04 0.00 0.00 177.00 177.83 1hhh s LYS 6 N -0.48 4.20 -0.03 4.56 1.02 0.42 -4.91 119.74 124.52 1hhh s LYS 6 Ca 0.56 0.76 0.01 0.00 0.02 0.00 0.00 55.97 57.33 1hhh s LYS 6 Cb -0.38 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1hhh s LYS 6 CO 0.42 0.51 -0.05 0.42 -0.92 0.00 0.00 175.35 175.73 1hhh s ILE 7 N -1.33 0.52 -0.05 2.17 1.01 -1.26 -0.93 121.20 121.34 1hhh s ILE 7 Ca 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1hhh s ILE 7 Cb -0.18 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.79 1hhh s ILE 7 CO 0.20 0.20 -0.06 -1.10 0.00 0.00 0.00 174.94 174.18 1hhh s GLN 8 N 0.58 1.00 -0.13 2.79 -0.21 -0.23 -4.97 119.66 118.49 1hhh s GLN 8 Ca -0.08 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.14 1hhh s GLN 8 Cb -0.11 -0.95 -0.01 0.00 1.00 0.00 0.00 33.01 32.94 1hhh s GLN 8 CO 0.00 -0.06 -0.13 0.08 -2.12 0.00 0.00 175.29 173.06 1hhh s VAL 9 N 0.86 3.04 0.24 1.09 1.01 -1.26 -0.47 120.40 124.92 1hhh s VAL 9 Ca -0.12 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1hhh s VAL 9 Cb -0.15 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1hhh s VAL 9 CO 0.01 0.52 0.69 0.00 0.00 0.00 0.00 175.10 176.32 1hhh n TYR 10 N 3.52 -1.72 -4.32 5.22 4.11 -0.57 -4.56 117.16 118.85 1hhh n TYR 10 Ca -0.18 -1.27 -0.26 0.00 -0.00 0.00 0.00 57.90 56.19 1hhh n TYR 10 Cb 0.53 0.63 -0.10 0.00 -0.00 0.00 0.00 39.34 40.40 1hhh n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1hhh s SER 11 N -2.72 4.13 0.03 9.48 1.04 -1.26 -0.48 113.70 123.92 1hhh s SER 11 Ca 0.14 -0.64 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 1hhh s SER 11 Cb -0.03 -0.65 -0.18 0.00 0.10 0.00 0.00 66.02 65.26 1hhh s SER 11 CO 0.07 0.10 1.45 -0.09 0.98 0.00 0.00 173.24 175.75 1hhh h ARG 12 N 2.85 -0.07 -6.19 4.02 2.43 -1.76 -3.45 114.38 112.20 1hhh h ARG 12 Ca -0.46 0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.18 1hhh h ARG 12 Cb 1.21 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 1hhh h ARG 12 CO 0.54 0.21 -0.58 -1.01 -1.51 0.00 0.00 179.97 177.62 1hhh s HIS 13 N -5.07 2.89 0.15 2.20 3.76 -1.26 -5.06 115.29 112.90 1hhh s HIS 13 Ca -0.15 -0.18 -0.33 0.00 -0.15 0.00 0.00 55.06 54.25 1hhh s HIS 13 Cb 0.03 -1.33 -0.16 0.00 1.11 0.00 0.00 32.58 32.23 1hhh s HIS 13 CO 0.65 0.55 1.08 -0.35 -0.85 0.00 0.00 174.74 175.82 1hhh n PRO 14 N -1.05 0.87 -2.59 8.40 -0.04 -1.26 -4.87 135.00 134.46 1hhh n PRO 14 Ca -0.07 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 1hhh n PRO 14 Cb 0.59 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1hhh n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hhh s ALA 15 N -0.25 3.07 -0.05 0.55 0.00 -1.26 -5.00 121.76 118.82 1hhh s ALA 15 Ca 0.75 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1hhh s ALA 15 Cb -0.92 -3.97 -0.02 0.00 0.00 0.00 0.00 23.12 18.20 1hhh s ALA 15 CO 0.53 -2.47 -0.17 -1.21 0.00 0.00 0.00 175.76 172.43 1hhh s GLU 16 N 4.73 2.44 0.29 0.00 2.02 -1.26 -5.10 118.70 121.82 1hhh s GLU 16 Ca 0.46 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1hhh s GLU 16 Cb -0.07 -2.30 -0.10 0.00 0.10 0.00 0.00 34.13 31.76 1hhh s GLU 16 CO 0.29 0.58 1.12 -0.80 0.02 0.00 0.00 175.26 176.47 1hhh s ASN 17 N -0.64 7.22 0.00 -0.19 0.01 -1.26 -2.78 114.94 117.29 1hhh s ASN 17 Ca 0.10 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 1hhh s ASN 17 Cb -0.11 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1hhh s ASN 17 CO 0.00 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 1hhh n GLY 18 N 1.15 2.11 3.45 0.66 0.00 -0.14 -4.99 105.19 107.42 1hhh n GLY 18 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1hhh n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hhh s LYS 19 N -0.14 3.33 0.63 1.61 1.02 -1.12 -4.99 119.74 120.09 1hhh s LYS 19 Ca 0.00 -0.62 -0.17 0.00 0.02 0.00 0.00 55.97 55.20 1hhh s LYS 19 Cb 0.00 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1hhh s LYS 19 CO 0.00 0.31 1.19 -1.54 -0.92 0.00 0.00 175.35 174.39 1hhh s SER 20 N 0.13 4.96 0.00 2.83 1.04 -1.26 -3.89 113.70 117.51 1hhh s SER 20 Ca -0.04 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1hhh s SER 20 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1hhh s SER 20 CO 0.04 -1.74 0.00 -3.20 0.98 0.00 0.00 173.24 169.32 1hhh n ASN 21 N -1.95 0.00 -4.06 7.02 2.85 0.82 -4.95 115.26 114.98 1hhh n ASN 21 Ca 0.13 -0.93 -0.25 0.00 -0.11 0.00 0.00 54.58 53.42 1hhh n ASN 21 Cb 0.50 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.36 1hhh n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hhh s PHE 22 N -7.66 1.58 -0.21 1.20 0.40 -1.26 -1.01 117.98 111.01 1hhh s PHE 22 Ca 0.00 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 55.63 1hhh s PHE 22 Cb 0.00 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.36 1hhh s PHE 22 CO 0.00 -0.26 0.32 -1.17 0.70 0.00 0.00 175.22 174.82 1hhh s LEU 23 N 0.48 4.14 0.11 -0.37 2.96 0.23 -1.86 118.68 124.37 1hhh s LEU 23 Ca -0.12 0.39 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1hhh s LEU 23 Cb -0.15 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1hhh s LEU 23 CO 0.04 -0.03 -0.16 0.20 -1.32 0.00 0.00 176.35 175.07 1hhh s ASN 24 N 1.05 3.99 -0.09 3.68 0.01 0.37 -1.54 114.94 122.42 1hhh s ASN 24 Ca 0.15 -0.52 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1hhh s ASN 24 Cb -0.14 -0.61 0.04 0.00 0.41 0.00 0.00 41.25 40.95 1hhh s ASN 24 CO 0.07 0.18 0.04 0.00 -1.51 0.00 0.00 177.10 175.88 1hhh s TYR 26 N 2.05 3.05 -0.19 0.00 5.04 0.39 -0.43 117.35 127.26 1hhh s TYR 26 Ca 0.04 -0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 53.83 1hhh s TYR 26 Cb -0.13 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.97 1hhh s TYR 26 CO -0.05 -0.50 -0.03 0.14 -1.34 0.00 0.00 175.55 173.77 1hhh s VAL 27 N 1.52 3.74 0.13 3.14 -7.23 -0.32 -1.07 120.40 120.31 1hhh s VAL 27 Ca 0.05 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1hhh s VAL 27 Cb -0.15 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1hhh s VAL 27 CO 0.00 0.44 0.05 -0.94 -0.31 0.00 0.00 175.10 174.35 1hhh s SER 28 N 0.96 0.35 0.00 4.85 1.04 -0.10 -0.70 113.70 120.10 1hhh s SER 28 Ca 0.01 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1hhh s SER 28 Cb -0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1hhh s SER 28 CO 0.01 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1hhh n GLY 29 N -0.10 0.53 3.95 7.32 0.00 0.17 -0.43 105.19 116.62 1hhh n GLY 29 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1hhh n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hhh s PHE 30 N -2.24 3.23 -0.28 1.61 -0.71 -1.16 -4.50 117.98 113.94 1hhh s PHE 30 Ca 0.00 0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 55.90 1hhh s PHE 30 Cb 0.00 -2.27 0.08 0.00 -1.21 0.00 0.00 43.02 39.63 1hhh s PHE 30 CO 0.00 -0.31 0.75 -1.58 -1.34 0.00 0.00 175.22 172.74 1hhh s HIS 31 N -2.52 -0.87 1.04 3.49 2.46 -0.78 -0.67 115.29 117.44 1hhh s HIS 31 Ca 0.48 1.91 -0.17 0.00 0.47 0.00 0.00 55.06 57.74 1hhh s HIS 31 Cb -0.10 0.45 0.26 0.00 -0.13 0.00 0.00 32.58 33.06 1hhh s HIS 31 CO 0.37 -0.43 0.86 -0.35 -2.47 0.00 0.00 174.74 172.73 1hhh n PRO 32 N 3.44 -3.02 0.17 2.88 -0.04 -1.26 -2.37 135.00 134.81 1hhh n PRO 32 Ca -0.17 -1.39 0.13 0.00 -0.04 0.00 0.00 63.50 62.04 1hhh n PRO 32 Cb 0.57 -1.37 0.55 0.00 -0.04 0.00 0.00 33.50 33.21 1hhh n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hhh h SER 33 N -2.56 0.00 -2.64 3.54 4.64 -1.99 -3.44 113.55 111.10 1hhh h SER 33 Ca -0.33 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.44 1hhh h SER 33 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1hhh h SER 33 CO 0.22 0.00 1.22 -1.81 -0.87 0.00 0.00 176.83 175.59 1hhh s ASP 34 N -4.65 5.86 -0.00 4.97 1.11 -1.26 -4.95 116.67 117.76 1hhh s ASP 34 Ca 0.03 0.75 -0.03 0.00 0.18 0.00 0.00 52.55 53.48 1hhh s ASP 34 Cb 0.09 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.54 1hhh s ASP 34 CO 0.43 -1.83 0.05 -0.51 1.18 0.00 0.00 175.17 174.49 1hhh s ILE 35 N 7.01 0.06 -0.17 0.77 2.07 -1.26 -4.59 121.20 125.09 1hhh s ILE 35 Ca 0.67 -0.52 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1hhh s ILE 35 Cb -0.16 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1hhh s ILE 35 CO 0.28 -0.29 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.36 1hhh s GLU 36 N -0.90 3.54 -0.05 3.50 2.02 -0.38 -4.98 118.70 121.45 1hhh s GLU 36 Ca -0.10 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.32 1hhh s GLU 36 Cb -0.06 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.29 1hhh s GLU 36 CO 0.00 0.11 -0.05 0.08 0.02 0.00 0.00 175.26 175.42 1hhh s VAL 37 N 0.70 0.59 0.08 2.63 1.01 -1.26 -0.80 120.40 123.35 1hhh s VAL 37 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1hhh s VAL 37 Cb -0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1hhh s VAL 37 CO 0.02 0.25 -0.18 -1.81 0.00 0.00 0.00 175.10 173.38 1hhh s ASP 38 N 1.10 2.13 -0.05 3.32 1.01 -0.26 -4.99 116.67 118.92 1hhh s ASP 38 Ca -0.08 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.56 1hhh s ASP 38 Cb -0.14 -0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 1hhh s ASP 38 CO -0.01 0.01 -0.05 -0.76 0.21 0.00 0.00 175.17 174.57 1hhh s LEU 39 N -1.74 3.27 0.08 1.23 1.43 -1.26 -0.77 118.68 120.91 1hhh s LEU 39 Ca 0.03 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1hhh s LEU 39 Cb -0.10 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1hhh s LEU 39 CO 0.03 0.34 -0.19 -0.76 0.23 0.00 0.00 176.35 176.00 1hhh s LEU 40 N -1.00 2.25 -0.20 1.79 1.43 0.16 -0.83 118.68 122.29 1hhh s LEU 40 Ca 0.14 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1hhh s LEU 40 Cb -0.11 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1hhh s LEU 40 CO 0.03 0.07 -0.06 -0.75 0.23 0.00 0.00 176.35 175.87 1hhh s LYS 41 N -1.63 1.65 -1.53 1.70 2.20 0.46 -1.43 119.74 121.15 1hhh s LYS 41 Ca 0.05 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.77 1hhh s LYS 41 Cb -0.09 -2.34 0.08 0.00 -1.51 0.00 0.00 37.83 33.97 1hhh s LYS 41 CO 0.03 -0.50 0.85 0.09 -0.36 0.00 0.00 175.35 175.47 1hhh n ASN 42 N 4.75 -3.61 0.00 1.43 3.02 0.74 -0.93 115.26 120.65 1hhh n ASN 42 Ca -0.13 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1hhh n ASN 42 Cb 0.46 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1hhh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hhh n GLY 43 N -1.64 2.40 3.75 7.41 0.00 -1.26 -5.01 105.19 110.83 1hhh n GLY 43 Ca -0.03 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1hhh n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hhh s GLU 44 N 0.00 4.75 -0.06 1.61 2.02 -0.11 -4.92 118.70 121.98 1hhh s GLU 44 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 1hhh s GLU 44 Cb 0.00 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1hhh s GLU 44 CO 0.00 0.34 1.47 0.50 0.02 0.00 0.00 175.26 177.59 1hhh s ARG 45 N -1.04 4.23 0.19 1.61 3.52 -1.26 -0.40 118.95 125.80 1hhh s ARG 45 Ca 0.44 1.98 -0.30 0.00 -0.13 0.00 0.00 55.73 57.71 1hhh s ARG 45 Cb -0.28 -3.78 -0.09 0.00 -1.56 0.00 0.00 34.95 29.24 1hhh s ARG 45 CO 0.35 -0.72 1.33 0.42 -0.81 0.00 0.00 175.30 175.87 1hhh s ILE 46 N 3.33 3.16 -0.06 4.11 1.01 -0.01 -4.93 121.20 127.82 1hhh s ILE 46 Ca 0.65 0.95 -0.25 0.00 0.00 0.00 0.00 60.65 62.00 1hhh s ILE 46 Cb -0.30 -3.60 -0.25 0.00 0.01 0.00 0.00 42.46 38.32 1hhh s ILE 46 CO 0.25 0.13 0.99 1.05 0.00 0.00 0.00 174.94 177.36 1hhh h GLU 47 N 5.49 0.17 -4.70 2.79 4.11 -1.94 -3.41 114.58 117.10 1hhh h GLU 47 Ca -0.45 -0.20 -0.72 0.00 0.07 0.00 0.00 59.36 58.06 1hhh h GLU 47 Cb 1.21 0.06 -0.19 0.00 0.50 0.00 0.00 28.75 30.33 1hhh h GLU 47 CO 0.78 0.96 0.86 0.21 0.07 0.00 0.00 179.01 181.90 1hhh s LYS 48 N -2.95 3.78 -0.18 1.06 2.20 -1.26 -4.96 119.74 117.43 1hhh s LYS 48 Ca -0.16 -2.18 -0.00 0.00 -0.36 0.00 0.00 55.97 53.27 1hhh s LYS 48 Cb 0.00 -4.87 0.01 0.00 -1.51 0.00 0.00 37.83 31.46 1hhh s LYS 48 CO 0.75 -1.67 -0.16 0.08 -0.36 0.00 0.00 175.35 173.98 1hhh s VAL 49 N 1.78 2.45 0.50 4.02 1.01 -1.26 -4.63 120.40 124.26 1hhh s VAL 49 Ca 0.33 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1hhh s VAL 49 Cb -0.05 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1hhh s VAL 49 CO -0.07 0.51 0.51 -1.61 0.00 0.00 0.00 175.10 174.44 1hhh s GLU 50 N 1.21 2.42 0.16 2.72 2.02 -0.72 -4.93 118.70 121.59 1hhh s GLU 50 Ca 0.02 -1.68 -0.19 0.00 0.02 0.00 0.00 54.97 53.15 1hhh s GLU 50 Cb -0.14 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.73 1hhh s GLU 50 CO -0.08 -0.50 0.51 -3.38 0.02 0.00 0.00 175.26 171.84 1hhh s HIS 51 N -2.60 -0.27 0.93 1.61 -3.43 -1.26 -1.16 115.29 109.11 1hhh s HIS 51 Ca 0.48 -0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.59 1hhh s HIS 51 Cb -0.04 0.41 0.15 0.00 -1.43 0.00 0.00 32.58 31.66 1hhh s HIS 51 CO 0.29 -0.84 1.10 -1.54 -2.00 0.00 0.00 174.74 171.76 1hhh s SER 52 N -2.82 3.26 0.32 7.38 1.04 -0.06 -4.95 113.70 117.88 1hhh s SER 52 Ca 0.05 1.20 -0.26 0.00 0.48 0.00 0.00 55.95 57.42 1hhh s SER 52 Cb -0.00 -1.86 -0.10 0.00 0.10 0.00 0.00 66.02 64.16 1hhh s SER 52 CO -0.08 -2.74 0.97 -1.81 0.98 0.00 0.00 173.24 170.56 1hhh s ASP 53 N -3.66 7.29 -0.02 7.02 1.01 -1.26 -4.74 116.67 122.32 1hhh s ASP 53 Ca 0.64 1.90 -0.34 0.00 0.71 0.00 0.00 52.55 55.46 1hhh s ASP 53 Cb -0.17 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 1hhh s ASP 53 CO 0.56 -0.10 1.83 0.18 0.21 0.00 0.00 175.17 177.85 1hhh n LEU 54 N 0.61 3.48 -4.09 1.23 4.77 -1.26 -4.93 117.00 116.81 1hhh n LEU 54 Ca 0.02 0.99 -0.09 0.00 -0.03 0.00 0.00 56.01 56.90 1hhh n LEU 54 Cb 0.49 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 1hhh n LEU 54 CO 0.46 -0.06 -0.28 -0.55 -1.33 0.00 0.00 177.39 175.62 1hhh s SER 55 N 3.43 0.33 0.15 -1.43 0.15 -1.25 -5.07 113.70 110.01 1hhh s SER 55 Ca 0.89 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1hhh s SER 55 Cb -0.65 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1hhh s SER 55 CO 0.47 -0.70 -0.01 0.72 1.20 0.00 0.00 173.24 174.92 1hhh s PHE 56 N -3.99 1.09 0.68 3.44 -0.12 -1.26 -1.51 117.98 116.31 1hhh s PHE 56 Ca 0.17 -1.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 1hhh s PHE 56 Cb 0.07 -0.62 0.11 0.00 -0.63 0.00 0.00 43.02 41.95 1hhh s PHE 56 CO -0.03 -0.24 0.94 -1.12 -0.05 0.00 0.00 175.22 174.72 1hhh s SER 57 N -3.13 4.56 0.53 1.98 0.01 0.65 -4.95 113.70 113.36 1hhh s SER 57 Ca 0.21 -0.41 0.27 0.00 1.31 0.00 0.00 55.95 57.33 1hhh s SER 57 Cb 0.06 -0.04 1.51 0.00 0.21 0.00 0.00 66.02 67.76 1hhh s SER 57 CO 0.01 -1.71 2.11 0.50 0.41 0.00 0.00 173.24 174.57 1hhh h LYS 58 N -0.35 0.00 -0.71 12.44 3.64 -2.02 -0.07 116.57 129.50 1hhh h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1hhh h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1hhh h LYS 58 CO 0.41 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 177.29 1hhh n ASP 59 N -3.74 3.57 0.00 4.20 5.75 -1.26 -4.91 116.55 120.16 1hhh n ASP 59 Ca -0.02 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1hhh n ASP 59 Cb 0.20 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1hhh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1hhh n TRP 60 N 0.42 0.00 -2.75 2.11 7.02 -0.04 -5.01 117.44 119.19 1hhh n TRP 60 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 1hhh n TRP 60 Cb 0.74 -0.77 -0.06 0.00 -2.42 0.00 0.00 31.31 28.80 1hhh n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1hhh s SER 61 N -2.32 6.89 0.41 -0.99 1.04 -1.26 -4.70 113.70 112.78 1hhh s SER 61 Ca 0.00 1.77 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 1hhh s SER 61 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1hhh s SER 61 CO 0.00 -0.40 0.65 -0.36 0.98 0.00 0.00 173.24 174.12 1hhh s PHE 62 N -2.04 3.50 -0.04 5.02 0.08 0.16 -0.25 117.98 124.41 1hhh s PHE 62 Ca 0.61 0.53 -0.07 0.00 0.12 0.00 0.00 56.93 58.11 1hhh s PHE 62 Cb -0.12 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1hhh s PHE 62 CO 0.16 -0.08 0.17 1.52 -0.10 0.00 0.00 175.22 176.90 1hhh s TYR 63 N -2.51 -0.10 -0.00 0.36 -0.85 -0.57 -0.66 117.35 113.02 1hhh s TYR 63 Ca 0.44 0.23 -0.04 0.00 -0.52 0.00 0.00 57.07 57.17 1hhh s TYR 63 Cb -0.10 0.02 -0.00 0.00 0.38 0.00 0.00 41.96 42.26 1hhh s TYR 63 CO 0.40 -0.19 0.07 -0.51 -1.52 0.00 0.00 175.55 173.80 1hhh s LEU 64 N -0.60 1.79 -0.20 -3.49 1.43 0.13 -3.76 118.68 113.97 1hhh s LEU 64 Ca -0.07 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1hhh s LEU 64 Cb -0.04 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.61 1hhh s LEU 64 CO 0.01 -0.26 -0.17 -0.22 0.23 0.00 0.00 176.35 175.95 1hhh s LEU 65 N -1.01 2.52 -0.14 1.79 2.96 -1.26 -1.17 118.68 122.36 1hhh s LEU 65 Ca -0.11 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 1hhh s LEU 65 Cb -0.06 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1hhh s LEU 65 CO 0.00 -0.05 0.11 -0.31 -1.32 0.00 0.00 176.35 174.78 1hhh s TYR 66 N 1.26 3.47 0.05 5.38 1.51 0.43 -0.88 117.35 128.57 1hhh s TYR 66 Ca 0.02 0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 56.40 1hhh s TYR 66 Cb -0.15 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1hhh s TYR 66 CO -0.10 0.56 0.16 1.52 -1.11 0.00 0.00 175.55 176.58 1hhh s TYR 67 N -0.62 0.14 0.04 2.71 1.13 -0.31 -0.47 117.35 119.98 1hhh s TYR 67 Ca 0.12 -0.46 -0.21 0.00 -1.41 0.00 0.00 57.07 55.11 1hhh s TYR 67 Cb -0.12 -0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.70 1hhh s TYR 67 CO 0.02 -0.44 0.48 -0.08 -2.51 0.00 0.00 175.55 173.02 1hhh s THR 68 N -3.02 0.04 0.26 -3.49 -1.32 -0.59 -1.76 115.64 105.76 1hhh s THR 68 Ca -0.02 -0.32 -0.28 0.00 -1.21 0.00 0.00 61.69 59.86 1hhh s THR 68 Cb 0.01 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1hhh s THR 68 CO -0.06 -0.18 0.93 -1.61 -2.21 0.00 0.00 174.62 171.48 1hhh s GLU 69 N -2.42 4.76 -0.18 7.08 2.02 -1.26 -0.60 118.70 128.10 1hhh s GLU 69 Ca -0.05 1.41 -0.22 0.00 0.02 0.00 0.00 54.97 56.12 1hhh s GLU 69 Cb -0.01 -3.15 0.06 0.00 0.10 0.00 0.00 34.13 31.13 1hhh s GLU 69 CO -0.02 0.46 0.59 -0.59 0.02 0.00 0.00 175.26 175.73 1hhh s PHE 70 N -1.30 -0.62 -0.41 1.61 -0.71 -0.18 -4.84 117.98 111.53 1hhh s PHE 70 Ca 0.43 1.42 -0.13 0.00 -1.04 0.00 0.00 56.93 57.62 1hhh s PHE 70 Cb -0.24 0.25 0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1hhh s PHE 70 CO 0.29 -0.38 0.27 0.99 -1.34 0.00 0.00 175.22 175.05 1hhh s THR 71 N -0.09 4.81 0.69 -4.49 2.01 -1.26 -0.13 115.64 117.18 1hhh s THR 71 Ca -0.03 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1hhh s THR 71 Cb -0.04 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1hhh s THR 71 CO 0.03 -0.35 1.18 -2.16 -0.69 0.00 0.00 174.62 172.63 1hhh s PRO 72 N 1.58 2.45 0.30 4.92 0.04 -1.25 -4.81 135.00 138.23 1hhh s PRO 72 Ca 0.03 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1hhh s PRO 72 Cb -0.20 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1hhh s PRO 72 CO 0.07 -1.58 0.09 -0.08 0.04 0.00 0.00 177.00 175.54 1hhh s THR 73 N -2.00 0.81 0.04 1.26 -1.32 -1.26 -0.97 115.64 112.20 1hhh s THR 73 Ca 0.73 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.31 1hhh s THR 73 Cb -0.27 -2.68 -0.21 0.00 -1.51 0.00 0.00 72.50 67.83 1hhh s THR 73 CO 0.42 0.00 1.04 -0.08 -2.21 0.00 0.00 174.62 173.79 1hhh h GLU 74 N 2.23 0.00 0.00 7.08 4.81 -1.98 -3.36 114.58 123.36 1hhh h GLU 74 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1hhh h GLU 74 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1hhh h GLU 74 CO 0.64 0.78 -0.68 1.57 -0.73 0.00 0.00 179.01 180.58 1hhh h LYS 75 N 0.00 0.00 -6.03 1.92 -0.00 -2.03 -3.46 116.57 106.96 1hhh h LYS 75 Ca -0.12 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.96 1hhh h LYS 75 Cb 1.85 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 34.02 1hhh h LYS 75 CO 0.11 0.00 -0.07 -0.51 -0.00 0.00 0.00 179.45 178.98 1hhh s ASP 76 N -4.35 6.91 -0.24 7.07 1.01 -1.26 -5.05 116.67 120.77 1hhh s ASP 76 Ca 0.05 1.09 -0.06 0.00 0.71 0.00 0.00 52.55 54.34 1hhh s ASP 76 Cb 0.13 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1hhh s ASP 76 CO 0.73 0.15 0.04 -0.70 0.21 0.00 0.00 175.17 175.60 1hhh s GLU 77 N -0.33 3.59 0.19 8.23 2.12 -1.26 -4.73 118.70 126.52 1hhh s GLU 77 Ca 0.29 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 55.20 1hhh s GLU 77 Cb -0.18 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1hhh s GLU 77 CO 0.16 -0.17 -0.13 0.71 -0.54 0.00 0.00 175.26 175.29 1hhh s TYR 78 N 1.53 2.54 0.25 5.30 1.51 -1.26 -0.19 117.35 127.03 1hhh s TYR 78 Ca 0.06 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 1hhh s TYR 78 Cb -0.15 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1hhh s TYR 78 CO 0.02 0.53 0.78 0.00 -1.11 0.00 0.00 175.55 175.77 1hhh s ALA 79 N -1.79 -1.33 -0.02 3.71 0.00 -0.52 -1.78 121.76 120.03 1hhh s ALA 79 Ca 0.25 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1hhh s ALA 79 Cb -0.08 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1hhh s ALA 79 CO 0.14 -1.04 -0.19 0.00 0.00 0.00 0.00 175.76 174.67 1hhh s ARG 81 N -0.32 3.16 -0.04 0.00 3.52 0.05 -1.33 118.95 123.99 1hhh s ARG 81 Ca 0.04 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1hhh s ARG 81 Cb -0.09 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 1hhh s ARG 81 CO 0.00 -0.19 -0.25 0.08 -0.81 0.00 0.00 175.30 174.14 1hhh s VAL 82 N 1.33 2.12 -0.03 7.11 1.01 -0.12 -1.10 120.40 130.73 1hhh s VAL 82 Ca 0.04 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1hhh s VAL 82 Cb -0.14 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1hhh s VAL 82 CO -0.08 0.57 -0.06 0.21 0.00 0.00 0.00 175.10 175.74 1hhh s ASN 83 N -0.37 0.92 0.06 3.32 2.47 0.02 -1.20 114.94 120.16 1hhh s ASN 83 Ca 0.03 -0.14 -0.13 0.00 0.42 0.00 0.00 52.86 53.04 1hhh s ASN 83 Cb -0.12 -0.30 0.02 0.00 -1.45 0.00 0.00 41.25 39.40 1hhh s ASN 83 CO 0.02 0.02 0.30 -2.28 -3.72 0.00 0.00 177.10 171.43 1hhh s HIS 84 N 0.39 -0.08 0.57 0.43 5.65 -1.26 -1.25 115.29 119.74 1hhh s HIS 84 Ca -0.05 -0.11 0.33 0.00 0.25 0.00 0.00 55.06 55.47 1hhh s HIS 84 Cb -0.09 0.09 1.44 0.00 -1.18 0.00 0.00 32.58 32.84 1hhh s HIS 84 CO 0.00 -0.53 1.76 -0.39 -0.65 0.00 0.00 174.74 174.93 1hhh h VAL 85 N 3.08 0.32 0.00 0.89 -1.51 -1.95 0.62 116.25 117.70 1hhh h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1hhh h VAL 85 Cb 1.20 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1hhh h VAL 85 CO 0.47 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.16 1hhh n THR 86 N -3.88 0.30 -4.50 7.19 -2.24 -1.26 -4.75 114.28 105.14 1hhh n THR 86 Ca 0.20 0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.71 1hhh n THR 86 Cb 1.11 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 1hhh n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1hhh s LEU 87 N -2.74 3.25 0.12 3.22 1.43 0.21 -4.96 118.68 119.21 1hhh s LEU 87 Ca 0.18 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1hhh s LEU 87 Cb 0.16 -1.75 -0.17 0.00 0.03 0.00 0.00 46.19 44.47 1hhh s LEU 87 CO 0.39 0.28 1.28 0.77 0.23 0.00 0.00 176.35 179.29 1hhh h SER 88 N 5.91 0.16 -4.49 2.29 4.64 -1.85 -3.45 113.55 116.76 1hhh h SER 88 Ca -0.41 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 60.63 1hhh h SER 88 Cb 1.18 -0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 63.00 1hhh h SER 88 CO 0.57 1.08 -0.27 -1.10 -0.87 0.00 0.00 176.83 176.24 1hhh s GLN 89 N -2.83 0.57 0.39 4.77 -0.21 -1.26 -5.14 119.66 115.95 1hhh s GLN 89 Ca -0.01 0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.22 1hhh s GLN 89 Cb 0.09 0.26 -0.11 0.00 1.00 0.00 0.00 33.01 34.26 1hhh s GLN 89 CO 0.84 -0.13 1.48 -1.25 -2.12 0.00 0.00 175.29 174.11 1hhh s PRO 90 N -0.65 4.02 -0.35 2.91 0.04 -1.26 -4.95 135.00 134.76 1hhh s PRO 90 Ca -0.07 2.56 -0.21 0.00 0.04 0.00 0.00 61.00 63.32 1hhh s PRO 90 Cb -0.04 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1hhh s PRO 90 CO 0.03 -0.60 0.67 0.21 0.04 0.00 0.00 177.00 177.35 1hhh s LYS 91 N -2.17 3.72 -0.16 4.56 2.20 -0.34 -4.88 119.74 122.66 1hhh s LYS 91 Ca 0.54 0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 56.23 1hhh s LYS 91 Cb -0.46 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.02 1hhh s LYS 91 CO 0.62 -0.74 0.03 0.42 -0.36 0.00 0.00 175.35 175.33 1hhh s ILE 92 N 2.78 4.55 -0.04 5.43 1.01 -1.26 -0.94 121.20 132.73 1hhh s ILE 92 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1hhh s ILE 92 Cb -0.14 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1hhh s ILE 92 CO 0.15 0.49 -0.12 0.54 0.00 0.00 0.00 174.94 176.00 1hhh s VAL 93 N 0.17 1.03 0.35 2.92 0.11 -0.44 -4.98 120.40 119.56 1hhh s VAL 93 Ca 0.03 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.42 1hhh s VAL 93 Cb -0.13 -0.92 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1hhh s VAL 93 CO 0.01 0.32 0.81 -0.54 -3.33 0.00 0.00 175.10 172.37 1hhh s LYS 94 N 0.26 4.13 -0.11 1.54 1.02 -1.26 -1.09 119.74 124.22 1hhh s LYS 94 Ca -0.06 0.87 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 1hhh s LYS 94 Cb -0.11 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1hhh s LYS 94 CO 0.02 0.12 0.86 -0.46 -0.92 0.00 0.00 175.35 174.97 1hhh s TRP 95 N -1.99 3.51 -0.08 3.18 -0.00 -0.74 -4.83 118.94 117.99 1hhh s TRP 95 Ca 0.55 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 58.07 1hhh s TRP 95 Cb -0.11 -3.02 -0.02 0.00 -0.00 0.00 0.00 33.47 30.32 1hhh s TRP 95 CO 0.17 -0.14 -0.14 0.34 -0.00 0.00 0.00 176.95 177.18 1hhh s ASP 96 N 1.05 3.99 0.00 5.86 -1.08 -1.26 -4.78 116.67 120.46 1hhh s ASP 96 Ca 0.42 -0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.50 1hhh s ASP 96 Cb -0.18 -1.12 1.47 0.00 -1.46 0.00 0.00 42.92 41.64 1hhh s ASP 96 CO 0.17 0.28 2.02 -2.11 0.52 0.00 0.00 175.17 176.05 1hhh n ARG 97 N 2.75 0.45 -0.87 4.34 1.85 -1.26 -3.42 116.66 120.51 1hhh n ARG 97 Ca -0.18 -0.03 -0.05 0.00 -1.00 0.00 0.00 57.85 56.60 1hhh n ARG 97 Cb 0.52 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.69 1hhh n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1hhh n ASP 98 N -1.25 3.88 0.00 2.89 8.00 -1.26 -4.86 116.55 123.95 1hhh n ASP 98 Ca 0.14 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 52.26 1hhh n ASP 98 Cb 0.25 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1hhh n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04