#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvh n ILE 1 N 0.00 1.14 -4.09 1.12 5.41 -1.26 -5.02 119.36 116.65 1tvh n ILE 1 Ca 0.00 -0.28 -0.15 0.00 1.00 0.00 0.00 62.75 63.32 1tvh n ILE 1 Cb 0.00 -1.82 -0.14 0.00 -0.71 0.00 0.00 39.64 36.97 1tvh n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1tvh s GLN 2 N -0.68 0.33 -0.04 0.38 -0.21 -1.26 -4.55 119.66 113.63 1tvh s GLN 2 Ca 0.64 -0.14 0.02 0.00 0.02 0.00 0.00 55.36 55.90 1tvh s GLN 2 Cb -0.54 -0.32 0.01 0.00 1.00 0.00 0.00 33.01 33.16 1tvh s GLN 2 CO 0.51 0.08 -0.08 1.03 -2.12 0.00 0.00 175.29 174.71 1tvh s ARG 3 N -0.07 1.06 0.24 2.91 0.52 0.16 -4.91 118.95 118.86 1tvh s ARG 3 Ca 0.01 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 1tvh s ARG 3 Cb -0.02 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.39 1tvh s ARG 3 CO -0.00 0.05 0.96 0.99 0.02 0.00 0.00 175.30 177.32 1tvh s THR 4 N 0.47 4.01 0.21 0.02 2.01 -1.26 -1.59 115.64 119.51 1tvh s THR 4 Ca -0.08 2.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 1tvh s THR 4 Cb -0.11 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.02 1tvh s THR 4 CO 0.01 0.47 1.44 -2.16 -0.69 0.00 0.00 174.62 173.69 1tvh s PRO 5 N -1.15 4.28 -0.21 4.92 0.04 -1.26 -4.33 135.00 137.30 1tvh s PRO 5 Ca 0.42 2.25 -0.17 0.00 0.04 0.00 0.00 61.00 63.53 1tvh s PRO 5 Cb -0.27 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1tvh s PRO 5 CO 0.33 -0.43 0.47 0.15 0.04 0.00 0.00 177.00 177.56 1tvh s LYS 6 N 0.10 4.17 -0.12 4.56 1.02 0.21 -4.91 119.74 124.77 1tvh s LYS 6 Ca 0.61 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.94 1tvh s LYS 6 Cb -0.41 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.34 1tvh s LYS 6 CO 0.39 -0.13 -0.20 0.42 -0.92 0.00 0.00 175.35 174.91 1tvh s ILE 7 N 1.59 2.37 -0.05 2.17 1.01 -1.26 -1.73 121.20 125.30 1tvh s ILE 7 Ca 0.22 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1tvh s ILE 7 Cb -0.15 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1tvh s ILE 7 CO 0.09 0.54 -0.17 -1.10 0.00 0.00 0.00 174.94 174.30 1tvh s GLN 8 N 0.49 1.80 -0.13 2.79 -0.21 -0.33 -4.99 119.66 119.09 1tvh s GLN 8 Ca -0.13 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1tvh s GLN 8 Cb -0.17 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.30 1tvh s GLN 8 CO 0.05 0.23 -0.20 0.08 -2.12 0.00 0.00 175.29 173.33 1tvh s VAL 9 N 0.09 1.88 0.13 1.09 1.01 -1.26 -0.71 120.40 122.62 1tvh s VAL 9 Ca -0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1tvh s VAL 9 Cb -0.12 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.66 1tvh s VAL 9 CO 0.02 0.52 0.78 -0.72 0.00 0.00 0.00 175.10 175.70 1tvh s TYR 10 N 0.83 -0.33 0.13 5.22 1.13 -0.47 -4.60 117.35 119.25 1tvh s TYR 10 Ca -0.08 0.08 -0.05 0.00 -1.41 0.00 0.00 57.07 55.61 1tvh s TYR 10 Cb -0.15 0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 41.25 1tvh s TYR 10 CO -0.01 -0.82 0.37 -1.54 -2.51 0.00 0.00 175.55 171.04 1tvh s SER 11 N -2.74 6.50 0.13 -0.18 1.04 -1.26 -0.45 113.70 116.74 1tvh s SER 11 Ca 0.06 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.90 1tvh s SER 11 Cb -0.02 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 1tvh s SER 11 CO -0.05 0.07 1.73 -0.09 0.98 0.00 0.00 173.24 175.88 1tvh h ARG 12 N 2.96 0.09 -6.20 4.02 2.43 -1.58 -3.45 114.38 112.65 1tvh h ARG 12 Ca -0.46 -0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.16 1tvh h ARG 12 Cb 1.17 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 1tvh h ARG 12 CO 0.72 0.06 -0.62 -1.01 -1.51 0.00 0.00 179.97 177.61 1tvh s HIS 13 N -6.19 2.79 0.09 2.20 3.76 -1.26 -5.05 115.29 111.63 1tvh s HIS 13 Ca -0.13 -0.20 -0.34 0.00 -0.15 0.00 0.00 55.06 54.24 1tvh s HIS 13 Cb 0.10 -1.24 -0.14 0.00 1.11 0.00 0.00 32.58 32.41 1tvh s HIS 13 CO 0.69 0.60 1.64 -2.30 -0.85 0.00 0.00 174.74 174.51 1tvh n PRO 14 N -0.96 2.07 -2.29 8.40 -0.02 -1.26 -4.89 135.00 136.05 1tvh n PRO 14 Ca -0.07 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 1tvh n PRO 14 Cb 0.59 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1tvh n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tvh s ALA 15 N 1.69 3.19 -0.14 3.55 0.00 -1.26 -5.04 121.76 123.75 1tvh s ALA 15 Ca 0.83 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.72 1tvh s ALA 15 Cb -0.71 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.10 1tvh s ALA 15 CO 0.42 -0.52 0.29 -2.00 0.00 0.00 0.00 175.76 173.95 1tvh s GLU 16 N -2.23 0.18 -0.06 0.00 2.12 -1.26 -5.11 118.70 112.34 1tvh s GLU 16 Ca 0.56 0.78 -0.33 0.00 0.36 0.00 0.00 54.97 56.35 1tvh s GLU 16 Cb -0.31 0.02 -0.11 0.00 0.26 0.00 0.00 34.13 33.99 1tvh s GLU 16 CO 0.40 -0.27 1.93 0.09 -0.54 0.00 0.00 175.26 176.86 1tvh n ASN 17 N 5.30 3.66 0.00 -1.70 3.02 -1.26 -1.87 115.26 122.41 1tvh n ASN 17 Ca -0.07 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1tvh n ASN 17 Cb 0.50 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1tvh n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tvh n GLY 18 N 4.52 0.55 3.45 7.41 0.00 -0.77 -5.00 105.19 115.34 1tvh n GLY 18 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1tvh n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tvh s LYS 19 N -0.70 3.60 0.50 1.61 -0.14 -0.78 -5.01 119.74 118.82 1tvh s LYS 19 Ca 0.00 -0.54 -0.23 0.00 -1.36 0.00 0.00 55.97 53.84 1tvh s LYS 19 Cb 0.00 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.11 1tvh s LYS 19 CO 0.00 0.09 1.35 0.45 -0.76 0.00 0.00 175.35 176.48 1tvh s SER 20 N 0.76 5.59 0.13 2.83 0.15 -1.26 -4.18 113.70 117.71 1tvh s SER 20 Ca -0.01 2.74 -0.04 0.00 0.70 0.00 0.00 55.95 59.33 1tvh s SER 20 Cb -0.14 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1tvh s SER 20 CO 0.02 -1.35 0.26 -3.20 1.20 0.00 0.00 173.24 170.17 1tvh n ASN 21 N -0.69 -0.75 -4.14 5.45 2.85 -0.31 -5.00 115.26 112.67 1tvh n ASN 21 Ca 0.08 -1.56 -0.24 0.00 -0.11 0.00 0.00 54.58 52.75 1tvh n ASN 21 Cb 0.45 1.26 -0.15 0.00 1.24 0.00 0.00 39.78 42.57 1tvh n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1tvh s PHE 22 N -6.31 1.51 -0.19 1.20 0.40 -1.26 -1.45 117.98 111.87 1tvh s PHE 22 Ca 0.06 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1tvh s PHE 22 Cb -0.01 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1tvh s PHE 22 CO 0.05 -0.05 0.04 -1.17 0.70 0.00 0.00 175.22 174.79 1tvh s LEU 23 N -0.30 3.62 -0.06 -0.37 2.96 0.31 -1.31 118.68 123.54 1tvh s LEU 23 Ca 0.04 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1tvh s LEU 23 Cb -0.07 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1tvh s LEU 23 CO -0.00 0.13 -0.13 0.20 -1.32 0.00 0.00 176.35 175.23 1tvh s ASN 24 N 0.60 4.12 -0.26 3.68 0.01 0.41 -1.64 114.94 121.86 1tvh s ASN 24 Ca 0.02 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1tvh s ASN 24 Cb -0.13 -0.94 0.05 0.00 0.41 0.00 0.00 41.25 40.63 1tvh s ASN 24 CO 0.02 0.34 -0.09 0.00 -1.51 0.00 0.00 177.10 175.85 1tvh s TYR 26 N 1.19 3.09 -0.12 0.00 5.04 0.11 -0.87 117.35 125.79 1tvh s TYR 26 Ca -0.05 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 1tvh s TYR 26 Cb -0.19 -2.13 -0.00 0.00 0.35 0.00 0.00 41.96 39.99 1tvh s TYR 26 CO -0.05 -0.20 -0.21 0.08 -1.34 0.00 0.00 175.55 173.83 1tvh s VAL 27 N 1.06 2.30 0.10 3.14 1.01 0.01 -1.19 120.40 126.83 1tvh s VAL 27 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1tvh s VAL 27 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1tvh s VAL 27 CO 0.02 0.55 0.09 -0.94 0.00 0.00 0.00 175.10 174.82 1tvh s SER 28 N 0.46 0.28 -0.39 3.32 1.04 -0.71 -1.30 113.70 116.41 1tvh s SER 28 Ca -0.14 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1tvh s SER 28 Cb -0.17 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1tvh s SER 28 CO 0.06 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1tvh n GLY 29 N -0.04 0.66 3.84 7.32 0.00 -0.58 -0.62 105.19 115.78 1tvh n GLY 29 Ca -0.10 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1tvh n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tvh s PHE 30 N -2.13 3.12 -0.28 1.61 -0.71 -1.15 -4.22 117.98 114.22 1tvh s PHE 30 Ca 0.00 -0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 55.57 1tvh s PHE 30 Cb 0.00 -1.46 0.09 0.00 -1.21 0.00 0.00 43.02 40.44 1tvh s PHE 30 CO 0.00 0.47 0.79 -1.58 -1.34 0.00 0.00 175.22 173.56 1tvh s HIS 31 N -2.14 -0.83 0.29 3.49 2.46 -0.62 -1.23 115.29 116.71 1tvh s HIS 31 Ca 0.34 1.79 -0.05 0.00 0.47 0.00 0.00 55.06 57.61 1tvh s HIS 31 Cb -0.08 0.45 0.07 0.00 -0.13 0.00 0.00 32.58 32.89 1tvh s HIS 31 CO 0.26 -0.41 0.35 -0.35 -2.47 0.00 0.00 174.74 172.12 1tvh n PRO 32 N 3.48 -0.64 0.17 2.88 -0.04 -1.26 -0.67 135.00 138.92 1tvh n PRO 32 Ca -0.17 -0.55 0.12 0.00 -0.04 0.00 0.00 63.50 62.86 1tvh n PRO 32 Cb 0.57 -0.39 0.22 0.00 -0.04 0.00 0.00 33.50 33.86 1tvh n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tvh h SER 33 N -0.71 0.00 -2.51 3.54 4.64 -2.00 -3.45 113.55 113.06 1tvh h SER 33 Ca -0.12 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.66 1tvh h SER 33 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1tvh h SER 33 CO 0.08 0.00 1.14 -1.81 -0.87 0.00 0.00 176.83 175.37 1tvh s ASP 34 N -5.61 6.54 -0.08 4.97 1.01 -1.26 -4.97 116.67 117.27 1tvh s ASP 34 Ca 0.07 2.51 -0.19 0.00 0.71 0.00 0.00 52.55 55.66 1tvh s ASP 34 Cb 0.08 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.51 1tvh s ASP 34 CO 0.66 -0.98 0.45 -0.51 0.21 0.00 0.00 175.17 175.00 1tvh s ILE 35 N 3.85 0.02 -0.16 0.77 2.07 -1.26 -4.62 121.20 121.87 1tvh s ILE 35 Ca 0.80 -0.20 -0.00 0.00 -1.41 0.00 0.00 60.65 59.84 1tvh s ILE 35 Cb -0.40 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 41.48 1tvh s ILE 35 CO 0.36 -0.11 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.53 1tvh s GLU 36 N -0.74 3.24 -0.04 3.50 2.02 -0.09 -5.00 118.70 121.61 1tvh s GLU 36 Ca -0.08 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1tvh s GLU 36 Cb -0.03 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1tvh s GLU 36 CO 0.04 0.00 -0.09 0.08 0.02 0.00 0.00 175.26 175.31 1tvh s VAL 37 N 0.86 0.85 0.02 2.63 1.01 -1.26 -0.94 120.40 123.57 1tvh s VAL 37 Ca -0.04 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1tvh s VAL 37 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1tvh s VAL 37 CO -0.01 0.27 -0.06 -1.81 0.00 0.00 0.00 175.10 173.49 1tvh s ASP 38 N 0.35 0.70 -0.05 3.32 1.01 0.15 -4.98 116.67 117.16 1tvh s ASP 38 Ca -0.06 -0.29 -0.17 0.00 0.71 0.00 0.00 52.55 52.74 1tvh s ASP 38 Cb -0.11 -0.02 -0.05 0.00 1.01 0.00 0.00 42.92 43.75 1tvh s ASP 38 CO 0.01 -0.05 0.47 -0.76 0.21 0.00 0.00 175.17 175.04 1tvh s LEU 39 N -0.74 4.38 -0.02 1.23 1.43 -1.26 -0.25 118.68 123.45 1tvh s LEU 39 Ca -0.03 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1tvh s LEU 39 Cb -0.05 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1tvh s LEU 39 CO 0.00 0.16 -0.16 -0.76 0.23 0.00 0.00 176.35 175.81 1tvh s LEU 40 N -0.23 2.64 -0.16 1.79 1.43 0.13 -0.37 118.68 123.90 1tvh s LEU 40 Ca 0.26 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1tvh s LEU 40 Cb -0.16 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1tvh s LEU 40 CO 0.13 0.31 -0.18 -0.75 0.23 0.00 0.00 176.35 176.09 1tvh s LYS 41 N -0.94 2.68 -1.75 1.70 2.20 0.43 -1.95 119.74 122.11 1tvh s LYS 41 Ca 0.12 -0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 54.83 1tvh s LYS 41 Cb -0.11 -2.32 0.17 0.00 -1.51 0.00 0.00 37.83 34.07 1tvh s LYS 41 CO 0.02 -0.17 0.71 0.09 -0.36 0.00 0.00 175.35 175.64 1tvh n ASN 42 N 4.53 -2.70 0.00 1.43 3.02 0.63 -0.85 115.26 121.32 1tvh n ASN 42 Ca -0.19 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1tvh n ASN 42 Cb 0.50 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1tvh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tvh n GLY 43 N -1.34 1.61 3.80 7.41 0.00 -1.26 -5.04 105.19 110.36 1tvh n GLY 43 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1tvh n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvh s GLU 44 N -0.42 3.15 0.21 1.61 2.02 -0.03 -5.00 118.70 120.23 1tvh s GLU 44 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 1tvh s GLU 44 Cb 0.00 -2.92 -0.11 0.00 0.10 0.00 0.00 34.13 31.20 1tvh s GLU 44 CO 0.00 0.67 1.60 0.50 0.02 0.00 0.00 175.26 178.05 1tvh s ARG 45 N -1.63 4.18 0.06 1.61 3.52 -1.26 -0.43 118.95 125.00 1tvh s ARG 45 Ca 0.22 2.47 -0.27 0.00 -0.13 0.00 0.00 55.73 58.02 1tvh s ARG 45 Cb -0.12 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1tvh s ARG 45 CO 0.13 -0.63 0.83 0.42 -0.81 0.00 0.00 175.30 175.24 1tvh s ILE 46 N 0.81 4.67 -0.08 4.11 1.01 0.50 -4.83 121.20 127.38 1tvh s ILE 46 Ca 0.69 1.78 0.10 0.00 0.00 0.00 0.00 60.65 63.22 1tvh s ILE 46 Cb -0.46 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.59 1tvh s ILE 46 CO 0.36 0.34 0.52 -0.62 0.00 0.00 0.00 174.94 175.54 1tvh n GLU 47 N 2.85 0.66 -3.02 2.79 1.02 -1.26 -4.43 120.64 119.25 1tvh n GLU 47 Ca -0.01 0.25 -0.44 0.00 -0.02 0.00 0.00 57.16 56.94 1tvh n GLU 47 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1tvh n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1tvh n LYS 48 N -3.08 3.68 -4.71 3.49 4.81 -1.26 -4.96 118.16 116.13 1tvh n LYS 48 Ca -0.22 -4.16 -0.33 0.00 -0.87 0.00 0.00 58.31 52.73 1tvh n LYS 48 Cb 1.06 -2.75 -0.15 0.00 0.02 0.00 0.00 35.03 33.22 1tvh n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1tvh s VAL 49 N -0.46 2.78 0.33 3.15 1.01 -1.26 -4.71 120.40 121.24 1tvh s VAL 49 Ca 0.36 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1tvh s VAL 49 Cb -0.02 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1tvh s VAL 49 CO -0.01 0.52 0.29 -1.61 0.00 0.00 0.00 175.10 174.29 1tvh s GLU 50 N 0.57 2.72 0.11 2.72 2.02 -0.73 -4.91 118.70 121.21 1tvh s GLU 50 Ca -0.09 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 53.52 1tvh s GLU 50 Cb -0.16 -2.47 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1tvh s GLU 50 CO 0.04 0.10 0.22 -3.38 0.02 0.00 0.00 175.26 172.26 1tvh s HIS 51 N -2.30 0.24 0.77 1.61 -3.43 -1.26 -1.17 115.29 109.75 1tvh s HIS 51 Ca 0.41 -0.64 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 1tvh s HIS 51 Cb -0.06 -0.06 0.07 0.00 -1.43 0.00 0.00 32.58 31.10 1tvh s HIS 51 CO 0.26 -0.60 1.14 -1.54 -2.00 0.00 0.00 174.74 172.00 1tvh s SER 52 N -2.90 4.72 0.29 7.38 1.04 -0.27 -5.01 113.70 118.96 1tvh s SER 52 Ca 0.09 0.79 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 1tvh s SER 52 Cb 0.04 -1.36 -0.09 0.00 0.10 0.00 0.00 66.02 64.71 1tvh s SER 52 CO -0.07 -1.75 0.85 -1.81 0.98 0.00 0.00 173.24 171.43 1tvh s ASP 53 N -4.53 7.18 0.16 7.02 -0.00 -1.26 -4.77 116.67 120.47 1tvh s ASP 53 Ca 0.61 1.64 -0.31 0.00 -0.00 0.00 0.00 52.55 54.48 1tvh s ASP 53 Cb -0.11 -2.50 -0.11 0.00 -0.00 0.00 0.00 42.92 40.20 1tvh s ASP 53 CO 0.49 -0.05 1.79 -0.22 -0.00 0.00 0.00 175.17 177.18 1tvh s LEU 54 N -2.11 4.39 0.29 1.23 2.96 -1.26 -4.92 118.68 119.25 1tvh s LEU 54 Ca 0.48 2.81 0.03 0.00 -0.22 0.00 0.00 54.13 57.23 1tvh s LEU 54 Cb -0.17 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1tvh s LEU 54 CO 0.22 -0.99 0.25 -0.55 -1.32 0.00 0.00 176.35 173.96 1tvh s SER 55 N 2.05 1.07 0.11 3.68 0.15 -1.22 -5.04 113.70 114.51 1tvh s SER 55 Ca 0.78 -1.59 -0.14 0.00 0.70 0.00 0.00 55.95 55.70 1tvh s SER 55 Cb -0.48 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1tvh s SER 55 CO 0.35 -1.01 0.34 0.72 1.20 0.00 0.00 173.24 174.84 1tvh s PHE 56 N -3.66 -0.11 0.57 3.44 -0.12 -1.26 -1.49 117.98 115.36 1tvh s PHE 56 Ca 0.39 -0.24 0.05 0.00 -0.05 0.00 0.00 56.93 57.08 1tvh s PHE 56 Cb 0.04 0.17 0.07 0.00 -0.63 0.00 0.00 43.02 42.67 1tvh s PHE 56 CO 0.21 -0.66 0.79 -1.12 -0.05 0.00 0.00 175.22 174.40 1tvh s SER 57 N -2.81 5.06 0.49 1.98 0.01 0.15 -4.92 113.70 113.66 1tvh s SER 57 Ca 0.03 -0.44 0.34 0.00 1.31 0.00 0.00 55.95 57.19 1tvh s SER 57 Cb 0.03 -0.26 1.46 0.00 0.21 0.00 0.00 66.02 67.46 1tvh s SER 57 CO -0.12 -1.31 1.70 0.50 0.41 0.00 0.00 173.24 174.43 1tvh h LYS 58 N 0.07 0.10 -0.62 12.44 3.64 -2.03 0.98 116.57 131.15 1tvh h LYS 58 Ca -0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1tvh h LYS 58 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1tvh h LYS 58 CO 0.44 0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 177.29 1tvh n ASP 59 N -4.38 3.80 0.00 4.20 5.75 -1.26 -4.91 116.55 119.75 1tvh n ASP 59 Ca 0.33 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1tvh n ASP 59 Cb 1.38 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 1tvh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1tvh n TRP 60 N 0.98 0.00 -2.22 2.11 7.02 0.34 -5.03 117.44 120.63 1tvh n TRP 60 Ca 0.21 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.36 1tvh n TRP 60 Cb 0.69 -0.17 -0.01 0.00 -2.42 0.00 0.00 31.31 29.40 1tvh n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1tvh s SER 61 N -3.40 6.03 0.27 -0.99 1.04 -1.26 -4.60 113.70 110.79 1tvh s SER 61 Ca 0.00 1.82 -0.03 0.00 0.48 0.00 0.00 55.95 58.22 1tvh s SER 61 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 1tvh s SER 61 CO 0.00 -0.99 0.50 -0.36 0.98 0.00 0.00 173.24 173.37 1tvh s PHE 62 N -2.34 3.48 -0.00 5.02 0.08 -0.37 -0.68 117.98 123.17 1tvh s PHE 62 Ca 0.64 0.51 -0.02 0.00 0.12 0.00 0.00 56.93 58.18 1tvh s PHE 62 Cb -0.15 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1tvh s PHE 62 CO 0.32 0.23 0.04 1.52 -0.10 0.00 0.00 175.22 177.23 1tvh s TYR 63 N -2.04 0.07 0.01 0.36 -0.85 -0.55 -1.52 117.35 112.82 1tvh s TYR 63 Ca 0.42 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 1tvh s TYR 63 Cb -0.11 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1tvh s TYR 63 CO 0.30 -0.14 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.67 1tvh s LEU 64 N -0.76 2.14 -0.16 -3.49 1.43 -0.42 -3.38 118.68 114.05 1tvh s LEU 64 Ca -0.08 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1tvh s LEU 64 Cb -0.05 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 1tvh s LEU 64 CO -0.00 -0.17 -0.09 -0.22 0.23 0.00 0.00 176.35 176.10 1tvh s LEU 65 N -0.87 2.89 -0.01 1.79 2.96 -1.26 -0.81 118.68 123.37 1tvh s LEU 65 Ca -0.09 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1tvh s LEU 65 Cb -0.06 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1tvh s LEU 65 CO -0.01 0.13 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.78 1tvh s TYR 66 N 0.59 2.92 0.03 5.38 1.51 -0.05 -1.11 117.35 126.63 1tvh s TYR 66 Ca -0.05 -0.01 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1tvh s TYR 66 Cb -0.15 -1.63 0.07 0.00 -0.11 0.00 0.00 41.96 40.14 1tvh s TYR 66 CO 0.03 0.38 0.66 1.52 -1.11 0.00 0.00 175.55 177.03 1tvh s TYR 67 N -0.97 -0.60 -0.04 2.71 1.13 -0.31 -0.37 117.35 118.89 1tvh s TYR 67 Ca 0.16 0.80 -0.16 0.00 -1.41 0.00 0.00 57.07 56.46 1tvh s TYR 67 Cb -0.11 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1tvh s TYR 67 CO 0.07 -0.69 0.36 -0.08 -2.51 0.00 0.00 175.55 172.69 1tvh s THR 68 N -2.19 0.04 0.33 -3.49 -1.32 -0.65 -1.77 115.64 106.59 1tvh s THR 68 Ca -0.06 -0.34 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 1tvh s THR 68 Cb -0.00 -0.64 -0.10 0.00 -1.51 0.00 0.00 72.50 70.24 1tvh s THR 68 CO 0.01 -0.18 1.37 -0.70 -2.21 0.00 0.00 174.62 172.90 1tvh s GLU 69 N -1.01 4.28 0.15 7.08 2.12 -1.26 -0.53 118.70 129.52 1tvh s GLU 69 Ca -0.11 2.32 -0.16 0.00 0.36 0.00 0.00 54.97 57.39 1tvh s GLU 69 Cb -0.04 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.33 1tvh s GLU 69 CO 0.04 -0.31 0.42 -0.59 -0.54 0.00 0.00 175.26 174.28 1tvh s PHE 70 N -1.00 -0.12 -0.31 5.30 -0.71 -0.53 -4.85 117.98 115.76 1tvh s PHE 70 Ca 0.51 -0.21 0.03 0.00 -1.04 0.00 0.00 56.93 56.22 1tvh s PHE 70 Cb -0.42 0.26 0.08 0.00 -1.21 0.00 0.00 43.02 41.74 1tvh s PHE 70 CO 0.54 -0.76 -0.02 0.99 -1.34 0.00 0.00 175.22 174.64 1tvh s THR 71 N -3.84 2.29 0.40 -4.49 2.01 -1.26 -1.16 115.64 109.58 1tvh s THR 71 Ca 0.06 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.81 1tvh s THR 71 Cb 0.01 -2.53 -0.11 0.00 0.01 0.00 0.00 72.50 69.88 1tvh s THR 71 CO -0.08 -0.34 1.00 -2.65 -0.69 0.00 0.00 174.62 171.86 1tvh n PRO 72 N 4.35 1.35 -4.30 4.92 -0.01 -1.26 -4.79 135.00 135.26 1tvh n PRO 72 Ca -0.05 0.48 -0.17 0.00 -0.01 0.00 0.00 63.50 63.75 1tvh n PRO 72 Cb 0.42 -2.00 -0.09 0.00 -0.01 0.00 0.00 33.50 31.82 1tvh n PRO 72 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1tvh s THR 73 N -1.24 0.21 0.16 3.45 -4.23 -1.26 -1.85 115.64 110.87 1tvh s THR 73 Ca 0.62 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.27 1tvh s THR 73 Cb -0.58 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 70.77 1tvh s THR 73 CO 0.58 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 176.17 1tvh h GLU 74 N 2.29 0.00 0.02 3.99 4.22 -1.98 -3.34 114.58 119.78 1tvh h GLU 74 Ca -0.33 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 58.79 1tvh h GLU 74 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1tvh h GLU 74 CO 0.50 0.57 -1.87 1.17 -2.18 0.00 0.00 179.01 177.19 1tvh n LYS 75 N -3.57 0.66 -2.71 1.92 4.81 -1.26 -4.93 118.16 113.08 1tvh n LYS 75 Ca -0.00 0.24 -0.41 0.00 -0.87 0.00 0.00 58.31 57.27 1tvh n LYS 75 Cb 0.63 -1.73 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 1tvh n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tvh s ASP 76 N -6.16 7.51 -0.08 3.14 1.01 -1.26 -5.02 116.67 115.81 1tvh s ASP 76 Ca -0.09 1.85 0.01 0.00 0.71 0.00 0.00 52.55 55.03 1tvh s ASP 76 Cb 0.08 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1tvh s ASP 76 CO 0.81 -0.04 -0.12 -1.83 0.21 0.00 0.00 175.17 174.21 1tvh s GLU 77 N -0.25 2.88 0.10 8.23 -1.05 -1.26 -4.73 118.70 122.62 1tvh s GLU 77 Ca 0.46 -0.65 0.09 0.00 -0.15 0.00 0.00 54.97 54.72 1tvh s GLU 77 Cb -0.24 -2.53 -0.04 0.00 -0.44 0.00 0.00 34.13 30.88 1tvh s GLU 77 CO 0.31 0.49 -0.19 0.71 0.95 0.00 0.00 175.26 177.53 1tvh s TYR 78 N -0.37 2.51 0.23 4.83 2.02 -1.26 -0.27 117.35 125.04 1tvh s TYR 78 Ca 0.04 -0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.26 1tvh s TYR 78 Cb -0.12 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 1tvh s TYR 78 CO 0.02 0.35 0.63 0.00 -1.57 0.00 0.00 175.55 174.99 1tvh s ALA 79 N -1.09 -1.21 -0.08 3.71 0.00 -0.82 -0.70 121.76 121.57 1tvh s ALA 79 Ca 0.17 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1tvh s ALA 79 Cb -0.10 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1tvh s ALA 79 CO 0.09 -0.91 -0.19 0.00 0.00 0.00 0.00 175.76 174.75 1tvh s ARG 81 N 0.36 3.57 -0.03 0.00 3.52 0.65 -1.37 118.95 125.65 1tvh s ARG 81 Ca -0.14 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1tvh s ARG 81 Cb -0.16 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1tvh s ARG 81 CO 0.06 0.17 -0.11 0.08 -0.81 0.00 0.00 175.30 174.68 1tvh s VAL 82 N 0.54 0.98 0.04 7.11 1.01 0.77 -0.68 120.40 130.17 1tvh s VAL 82 Ca -0.04 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1tvh s VAL 82 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1tvh s VAL 82 CO 0.03 0.30 -0.20 0.21 0.00 0.00 0.00 175.10 175.44 1tvh s ASN 83 N 0.21 2.42 -0.06 3.32 3.04 -0.11 -1.11 114.94 122.65 1tvh s ASN 83 Ca -0.05 -0.51 -0.30 0.00 0.04 0.00 0.00 52.86 52.05 1tvh s ASN 83 Cb -0.10 -0.20 0.09 0.00 -1.54 0.00 0.00 41.25 39.50 1tvh s ASN 83 CO 0.01 0.16 0.79 -2.28 -3.04 0.00 0.00 177.10 172.74 1tvh s HIS 84 N -0.78 -0.52 0.54 0.43 2.46 -1.26 -0.91 115.29 115.24 1tvh s HIS 84 Ca 0.07 0.80 0.23 0.00 0.47 0.00 0.00 55.06 56.63 1tvh s HIS 84 Cb -0.09 0.45 1.41 0.00 -0.13 0.00 0.00 32.58 34.23 1tvh s HIS 84 CO 0.02 -0.54 2.07 -0.24 -2.47 0.00 0.00 174.74 173.57 1tvh h VAL 85 N 2.66 0.76 0.00 0.89 3.04 -1.95 -0.55 116.25 121.11 1tvh h VAL 85 Ca -0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1tvh h VAL 85 Cb 1.17 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1tvh h VAL 85 CO 0.36 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.63 1tvh h THR 86 N 0.00 0.00 -3.75 3.17 1.35 -1.91 -3.43 112.91 108.34 1tvh h THR 86 Ca 0.13 -0.59 -0.63 0.00 -0.55 0.00 0.00 66.41 64.77 1tvh h THR 86 Cb 0.57 1.55 -0.15 0.00 -1.73 0.00 0.00 68.15 68.39 1tvh h THR 86 CO -0.00 0.00 -0.38 -0.76 -0.25 0.00 0.00 175.52 174.13 1tvh s LEU 87 N -5.80 4.05 0.45 3.87 1.43 -0.21 -4.95 118.68 117.51 1tvh s LEU 87 Ca 0.04 0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.56 1tvh s LEU 87 Cb 0.08 -2.27 0.59 0.00 0.03 0.00 0.00 46.19 44.62 1tvh s LEU 87 CO 0.56 -0.09 1.70 0.77 0.23 0.00 0.00 176.35 179.52 1tvh h SER 88 N 8.10 0.00 -4.62 2.29 4.64 -1.84 -3.42 113.55 118.69 1tvh h SER 88 Ca -0.34 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.73 1tvh h SER 88 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 1tvh h SER 88 CO 0.61 0.00 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.76 1tvh s GLN 89 N -3.30 0.74 0.48 4.77 -1.52 -1.26 -5.14 119.66 114.43 1tvh s GLN 89 Ca 0.06 -1.12 -0.23 0.00 -1.95 0.00 0.00 55.36 52.11 1tvh s GLN 89 Cb 0.06 -0.28 -0.08 0.00 -0.22 0.00 0.00 33.01 32.49 1tvh s GLN 89 CO 0.64 0.02 1.24 -2.30 -0.25 0.00 0.00 175.29 174.64 1tvh n PRO 90 N 0.53 1.70 -4.93 2.91 -0.02 -1.26 -4.92 135.00 129.01 1tvh n PRO 90 Ca -0.16 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 1tvh n PRO 90 Cb 0.58 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 1tvh n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1tvh s LYS 91 N -2.48 3.22 -0.19 -0.52 2.20 -0.27 -4.91 119.74 116.78 1tvh s LYS 91 Ca 0.66 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 1tvh s LYS 91 Cb -0.47 -2.51 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1tvh s LYS 91 CO 0.54 0.23 -0.10 0.42 -0.36 0.00 0.00 175.35 176.08 1tvh s ILE 92 N 0.27 2.99 -0.20 5.43 1.01 -1.26 -0.16 121.20 129.28 1tvh s ILE 92 Ca -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1tvh s ILE 92 Cb -0.16 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1tvh s ILE 92 CO 0.06 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.71 1tvh s VAL 93 N 1.22 3.26 0.20 2.92 1.01 -0.47 -4.97 120.40 123.56 1tvh s VAL 93 Ca 0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1tvh s VAL 93 Cb -0.14 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1tvh s VAL 93 CO -0.04 0.45 0.68 -0.54 0.00 0.00 0.00 175.10 175.66 1tvh s LYS 94 N 1.19 4.20 0.05 2.72 1.02 -1.26 -1.58 119.74 126.08 1tvh s LYS 94 Ca 0.02 0.79 -0.31 0.00 0.02 0.00 0.00 55.97 56.50 1tvh s LYS 94 Cb -0.14 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.18 1tvh s LYS 94 CO -0.02 0.43 1.44 -0.46 -0.92 0.00 0.00 175.35 175.82 1tvh s TRP 95 N -1.48 2.93 -0.22 3.18 -0.00 0.12 -4.88 118.94 118.59 1tvh s TRP 95 Ca 0.41 0.78 0.00 0.00 -0.00 0.00 0.00 56.10 57.30 1tvh s TRP 95 Cb -0.17 -3.72 0.06 0.00 -0.00 0.00 0.00 33.47 29.64 1tvh s TRP 95 CO 0.21 -2.67 -0.06 0.34 -0.00 0.00 0.00 176.95 174.78 1tvh s ASP 96 N 1.68 3.61 0.00 5.86 -1.08 -1.26 -4.76 116.67 120.72 1tvh s ASP 96 Ca 0.66 -1.05 0.29 0.00 -0.52 0.00 0.00 52.55 51.93 1tvh s ASP 96 Cb -0.35 -1.12 1.27 0.00 -1.46 0.00 0.00 42.92 41.26 1tvh s ASP 96 CO 0.29 -0.22 1.89 -2.11 0.52 0.00 0.00 175.17 175.54 1tvh n ARG 97 N 4.72 0.54 -0.94 4.34 1.85 -1.26 -3.76 116.66 122.15 1tvh n ARG 97 Ca -0.12 -0.14 -0.10 0.00 -1.00 0.00 0.00 57.85 56.48 1tvh n ARG 97 Cb 0.45 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.56 1tvh n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1tvh n ASP 98 N -1.11 2.95 -0.05 2.89 10.43 -1.26 -4.92 116.55 125.49 1tvh n ASP 98 Ca 0.13 -3.70 0.16 0.00 2.57 0.00 0.00 54.79 53.95 1tvh n ASP 98 Cb 0.27 -0.70 0.91 0.00 1.84 0.00 0.00 41.12 43.44 1tvh n ASP 98 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28