#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hx0 n HIS 6 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -4.42 115.22 111.11 2hx0 n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2hx0 n HIS 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2hx0 n HIS 6 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2hx0 n ASN 7 N 0.00 0.00 -4.72 4.39 0.23 -1.26 -4.89 115.26 109.00 2hx0 n ASN 7 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.64 2hx0 n ASN 7 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2hx0 n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hx0 s ALA 8 N 0.00 3.26 -0.14 -2.53 0.00 -1.26 -5.04 121.76 116.05 2hx0 s ALA 8 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 2hx0 s ALA 8 Cb 0.00 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.07 2hx0 s ALA 8 CO 0.00 -0.09 1.01 0.45 0.00 0.00 0.00 175.76 177.13 2hx0 s SER 9 N 0.50 -0.33 0.82 0.00 0.15 -1.26 -4.77 113.70 108.80 2hx0 s SER 9 Ca 0.45 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.25 2hx0 s SER 9 Cb -0.21 0.29 0.10 0.00 -1.71 0.00 0.00 66.02 64.49 2hx0 s SER 9 CO 0.25 -0.37 1.18 0.42 1.20 0.00 0.00 173.24 175.93 2hx0 s THR 10 N -1.62 2.02 0.06 6.45 -4.23 -1.26 -5.01 115.64 112.06 2hx0 s THR 10 Ca 0.01 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 2hx0 s THR 10 Cb -0.01 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2hx0 s THR 10 CO -0.02 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 173.92 2hx0 s ALA 11 N -3.59 1.19 -0.10 3.99 0.00 -1.26 -3.92 121.76 118.06 2hx0 s ALA 11 Ca 0.64 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2hx0 s ALA 11 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2hx0 s ALA 11 CO 0.49 0.19 -0.15 0.50 0.00 0.00 0.00 175.76 176.80 2hx0 s ARG 12 N -1.49 3.05 0.10 0.00 3.52 -0.17 -4.93 118.95 119.03 2hx0 s ARG 12 Ca -0.00 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 2hx0 s ARG 12 Cb -0.09 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 2hx0 s ARG 12 CO 0.02 0.35 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.74 2hx0 s PHE 13 N -0.01 2.84 -0.03 5.12 0.40 -1.26 -0.58 117.98 124.46 2hx0 s PHE 13 Ca -0.04 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2hx0 s PHE 13 Cb -0.14 -1.47 -0.00 0.00 0.51 0.00 0.00 43.02 41.92 2hx0 s PHE 13 CO 0.04 0.45 -0.16 0.71 0.70 0.00 0.00 175.22 176.97 2hx0 s TYR 14 N -1.29 1.56 -0.10 0.36 1.51 0.32 -4.96 117.35 114.75 2hx0 s TYR 14 Ca 0.24 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2hx0 s TYR 14 Cb -0.11 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2hx0 s TYR 14 CO 0.16 -0.13 -0.15 0.00 -1.11 0.00 0.00 175.55 174.32 2hx0 s ALA 15 N -0.03 2.57 0.11 3.71 0.00 -1.26 -0.41 121.76 126.44 2hx0 s ALA 15 Ca -0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2hx0 s ALA 15 Cb -0.10 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2hx0 s ALA 15 CO 0.01 0.35 0.30 -0.48 0.00 0.00 0.00 175.76 175.94 2hx0 s LEU 16 N 0.02 0.88 -0.08 0.00 2.34 -0.44 -5.01 118.68 116.38 2hx0 s LEU 16 Ca -0.05 -0.47 0.01 0.00 0.06 0.00 0.00 54.13 53.68 2hx0 s LEU 16 Cb -0.14 1.47 0.02 0.00 -0.56 0.00 0.00 46.19 46.97 2hx0 s LEU 16 CO 0.04 -0.80 -0.09 -0.60 -1.06 0.00 0.00 176.35 173.84 2hx0 s ARG 17 N -3.83 1.52 0.30 1.48 3.52 -1.26 -0.95 118.95 119.73 2hx0 s ARG 17 Ca 0.04 -0.31 -0.08 0.00 -0.13 0.00 0.00 55.73 55.25 2hx0 s ARG 17 Cb 0.03 -1.39 -0.06 0.00 -1.56 0.00 0.00 34.95 31.97 2hx0 s ARG 17 CO -0.12 -0.09 0.61 -0.51 -0.81 0.00 0.00 175.30 174.38 2hx0 s LEU 18 N 1.07 4.03 0.27 -0.88 1.43 0.42 -4.93 118.68 120.10 2hx0 s LEU 18 Ca -0.07 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 2hx0 s LEU 18 Cb -0.14 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2hx0 s LEU 18 CO -0.01 -0.21 0.41 -0.76 0.23 0.00 0.00 176.35 176.01 2hx0 s LEU 19 N -3.43 4.24 0.27 1.79 1.43 -1.26 -3.01 118.68 118.71 2hx0 s LEU 19 Ca 0.47 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2hx0 s LEU 19 Cb -0.11 -2.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.01 2hx0 s LEU 19 CO 0.28 -0.13 1.28 -2.65 0.23 0.00 0.00 176.35 175.36 2hx0 n PRO 20 N -1.51 1.85 0.00 1.29 -0.02 -1.26 -2.11 135.00 133.24 2hx0 n PRO 20 Ca -0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2hx0 n PRO 20 Cb 0.57 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2hx0 n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hx0 n GLY 21 N 1.59 2.73 3.79 -1.23 0.00 -0.09 -4.96 105.19 107.01 2hx0 n GLY 21 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2hx0 n GLY 21 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hx0 s GLN 22 N -0.40 4.18 -0.13 1.61 -0.21 -0.90 -4.67 119.66 119.14 2hx0 s GLN 22 Ca 0.00 1.46 -0.20 0.00 0.02 0.00 0.00 55.36 56.64 2hx0 s GLN 22 Cb 0.00 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2hx0 s GLN 22 CO 0.00 -0.12 0.55 -2.00 -2.12 0.00 0.00 175.29 171.60 2hx0 s GLU 23 N -2.56 4.33 0.09 2.91 -6.30 -1.26 -0.70 118.70 115.21 2hx0 s GLU 23 Ca 0.58 0.56 -0.25 0.00 -2.50 0.00 0.00 54.97 53.36 2hx0 s GLU 23 Cb -0.20 -3.47 -0.15 0.00 0.00 0.00 0.00 34.13 30.31 2hx0 s GLU 23 CO 0.26 0.06 1.71 0.28 0.02 0.00 0.00 175.26 177.58 2hx0 h VAL 24 N 4.83 0.84 -0.29 3.70 2.07 -1.32 -2.51 116.25 123.57 2hx0 h VAL 24 Ca -0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2hx0 h VAL 24 Cb 1.18 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2hx0 h VAL 24 CO 0.76 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 178.01 2hx0 h PHE 25 N -0.19 -0.15 -0.84 1.57 -1.00 -1.95 -0.11 116.94 114.26 2hx0 h PHE 25 Ca -0.01 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 2hx0 h PHE 25 Cb 0.16 0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 2hx0 h PHE 25 CO -0.09 -0.12 0.42 0.66 -1.61 0.00 0.00 178.31 177.57 2hx0 h SER 26 N 0.00 1.09 -0.32 2.17 4.64 -1.95 -1.42 113.55 117.76 2hx0 h SER 26 Ca 0.14 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 2hx0 h SER 26 Cb 0.21 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2hx0 h SER 26 CO -0.30 0.91 -0.34 1.56 -0.87 0.00 0.00 176.83 177.78 2hx0 h GLN 27 N 1.20 0.85 -0.45 4.77 1.08 -0.99 -0.94 115.11 120.62 2hx0 h GLN 27 Ca 0.29 -0.42 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 2hx0 h GLN 27 Cb 0.10 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2hx0 h GLN 27 CO -0.04 1.06 0.09 -0.07 -0.95 0.00 0.00 178.83 178.92 2hx0 h LEU 28 N 0.71 0.70 -0.87 1.46 3.38 -0.78 -1.32 115.31 118.59 2hx0 h LEU 28 Ca 0.07 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2hx0 h LEU 28 Cb 0.90 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2hx0 h LEU 28 CO 0.08 0.76 0.00 -0.74 0.09 0.00 0.00 178.44 178.64 2hx0 h HIS 29 N 0.60 0.90 -0.79 1.13 2.76 -1.18 -0.75 115.15 117.83 2hx0 h HIS 29 Ca 0.14 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2hx0 h HIS 29 Cb 0.35 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 2hx0 h HIS 29 CO 0.02 0.82 0.35 0.00 -1.30 0.00 0.00 177.93 177.83 2hx0 h ALA 30 N 1.22 1.02 -0.55 5.26 0.00 -0.87 -0.02 119.26 125.31 2hx0 h ALA 30 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2hx0 h ALA 30 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2hx0 h ALA 30 CO 0.02 0.61 -0.10 0.35 0.00 0.00 0.00 179.25 180.14 2hx0 h PHE 31 N 1.13 1.16 -0.62 0.00 3.57 -0.77 0.79 116.94 122.19 2hx0 h PHE 31 Ca 0.27 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2hx0 h PHE 31 Cb 0.16 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2hx0 h PHE 31 CO 0.02 1.06 0.28 0.28 -2.23 0.00 0.00 178.31 177.72 2hx0 h VAL 32 N 0.93 1.22 -0.32 1.41 2.07 -0.73 -2.09 116.25 118.73 2hx0 h VAL 32 Ca 0.15 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 2hx0 h VAL 32 Cb 0.67 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2hx0 h VAL 32 CO 0.05 0.26 -0.13 1.56 0.02 0.00 0.00 177.57 179.33 2hx0 h GLN 33 N 0.86 0.66 -0.87 1.57 1.08 -0.77 0.19 115.11 117.83 2hx0 h GLN 33 Ca 0.21 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2hx0 h GLN 33 Cb 0.15 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2hx0 h GLN 33 CO -0.02 0.86 0.57 0.37 -0.95 0.00 0.00 178.83 179.66 2hx0 h GLN 34 N 0.43 1.04 -0.40 1.46 4.15 -0.67 -2.65 115.11 118.47 2hx0 h GLN 34 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2hx0 h GLN 34 Cb 0.65 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2hx0 h GLN 34 CO 0.04 0.69 0.00 0.09 -1.93 0.00 0.00 178.83 177.72 2hx0 n ASN 35 N -4.45 3.25 -4.02 -0.69 4.13 -0.80 -4.98 115.26 107.69 2hx0 n ASN 35 Ca 0.12 -1.93 -0.27 0.00 1.68 0.00 0.00 54.58 54.18 2hx0 n ASN 35 Cb 0.12 -0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.06 2hx0 n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hx0 n GLN 36 N 1.19 -2.94 -2.34 3.52 1.13 0.55 -4.89 117.38 113.61 2hx0 n GLN 36 Ca 0.17 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.17 2hx0 n GLN 36 Cb 0.53 -4.42 -0.03 0.00 0.11 0.00 0.00 30.24 26.42 2hx0 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2hx0 s LEU 37 N -7.05 4.39 -0.00 1.08 1.43 -0.59 -4.93 118.68 113.01 2hx0 s LEU 37 Ca 0.05 2.15 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2hx0 s LEU 37 Cb -0.03 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 2hx0 s LEU 37 CO 0.91 -0.50 0.37 0.54 0.23 0.00 0.00 176.35 177.89 2hx0 n ARG 38 N 3.65 3.54 -2.80 1.70 5.12 -1.26 -1.74 116.66 124.87 2hx0 n ARG 38 Ca 0.09 -0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 55.93 2hx0 n ARG 38 Cb 0.45 -0.97 0.01 0.00 -1.16 0.00 0.00 32.46 30.80 2hx0 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hx0 n ALA 39 N -1.29 -1.43 -2.51 7.54 0.00 -1.26 0.02 120.51 121.58 2hx0 n ALA 39 Ca 0.01 -1.28 -0.25 0.00 0.00 0.00 0.00 53.44 51.93 2hx0 n ALA 39 Cb 0.15 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2hx0 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hx0 s ALA 40 N 0.74 3.36 0.09 0.00 0.00 -0.47 -0.66 121.76 124.82 2hx0 s ALA 40 Ca 0.31 -2.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 2hx0 s ALA 40 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2hx0 s ALA 40 CO -0.11 -0.02 0.40 1.67 0.00 0.00 0.00 175.76 177.70 2hx0 s TRP 41 N -2.54 -0.22 -0.43 0.00 -2.14 -0.37 -1.16 118.94 112.09 2hx0 s TRP 41 Ca 0.37 -0.00 -0.26 0.00 2.66 0.00 0.00 56.10 58.86 2hx0 s TRP 41 Cb 0.01 0.23 0.02 0.00 -3.10 0.00 0.00 33.47 30.64 2hx0 s TRP 41 CO 0.21 -0.65 0.97 0.42 -2.66 0.00 0.00 176.95 175.24 2hx0 s ILE 42 N -3.32 4.46 -0.35 0.66 -1.09 -0.39 -1.30 121.20 119.87 2hx0 s ILE 42 Ca -0.00 1.00 0.23 0.00 -2.23 0.00 0.00 60.65 59.65 2hx0 s ILE 42 Cb 0.01 -4.43 0.05 0.00 -1.58 0.00 0.00 42.46 36.51 2hx0 s ILE 42 CO -0.08 -0.76 1.17 0.00 -1.23 0.00 0.00 174.94 174.03 2hx0 h ALA 43 N 8.89 0.58 -1.52 9.38 0.00 -1.28 -3.42 119.26 131.88 2hx0 h ALA 43 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2hx0 h ALA 43 Cb 1.07 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 2hx0 h ALA 43 CO 1.03 0.00 0.54 0.20 0.00 0.00 0.00 179.25 181.02 2hx0 s GLY 44 N -4.19 -0.13 -0.27 0.00 0.00 -0.87 -4.94 107.32 96.91 2hx0 s GLY 44 Ca 0.02 2.57 -0.22 0.00 0.00 0.00 0.00 44.72 47.09 2hx0 s GLY 44 CO 0.76 1.58 0.74 0.00 0.00 0.00 0.00 173.10 176.18 2hx0 s THR 46 N 0.83 0.06 -4.54 0.00 -1.32 -0.57 -4.69 115.64 105.41 2hx0 s THR 46 Ca -0.03 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 2hx0 s THR 46 Cb -0.05 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2hx0 s THR 46 CO -0.07 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2hx0 n GLY 47 N 1.23 -0.62 3.02 6.08 0.00 -1.25 0.27 105.19 113.92 2hx0 n GLY 47 Ca -0.21 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2hx0 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hx0 s SER 48 N -4.00 0.24 0.12 1.61 1.04 -0.28 -0.35 113.70 112.08 2hx0 s SER 48 Ca 0.00 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2hx0 s SER 48 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 2hx0 s SER 48 CO 0.00 -0.37 -0.10 -0.76 0.98 0.00 0.00 173.24 172.99 2hx0 s LEU 49 N -1.72 2.46 -0.09 2.42 1.43 -0.20 -1.20 118.68 121.78 2hx0 s LEU 49 Ca -0.12 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 51.99 2hx0 s LEU 49 Cb -0.06 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 2hx0 s LEU 49 CO -0.02 -0.30 -0.20 0.41 0.23 0.00 0.00 176.35 176.47 2hx0 n THR 50 N 0.22 1.22 -3.84 5.49 -1.04 -0.13 -1.62 114.28 114.58 2hx0 n THR 50 Ca -0.13 0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 2hx0 n THR 50 Cb 0.59 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2hx0 n THR 50 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2hx0 s ASP 51 N -6.09 6.43 -0.04 8.00 1.01 -1.24 -0.48 116.67 124.26 2hx0 s ASP 51 Ca -0.18 0.52 0.02 0.00 0.71 0.00 0.00 52.55 53.62 2hx0 s ASP 51 Cb 0.04 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2hx0 s ASP 51 CO 0.25 0.40 -0.08 -0.69 0.21 0.00 0.00 175.17 175.26 2hx0 s VAL 52 N -1.04 0.79 -0.21 -1.27 1.01 0.61 -1.10 120.40 119.19 2hx0 s VAL 52 Ca 0.16 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2hx0 s VAL 52 Cb -0.12 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.57 2hx0 s VAL 52 CO 0.05 0.26 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 2hx0 s ALA 53 N 0.47 2.14 0.03 5.51 0.00 -1.26 -0.60 121.76 128.05 2hx0 s ALA 53 Ca -0.08 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.60 2hx0 s ALA 53 Cb -0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2hx0 s ALA 53 CO 0.01 -0.85 -0.10 -0.51 0.00 0.00 0.00 175.76 174.30 2hx0 s LEU 54 N 1.33 2.15 -0.31 0.00 1.43 -0.53 -4.75 118.68 118.00 2hx0 s LEU 54 Ca -0.02 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2hx0 s LEU 54 Cb -0.17 -0.41 0.04 0.00 0.03 0.00 0.00 46.19 45.68 2hx0 s LEU 54 CO -0.08 -0.02 0.05 -0.60 0.23 0.00 0.00 176.35 175.93 2hx0 s ARG 55 N -0.99 2.63 0.75 1.70 3.52 0.52 0.39 118.95 127.47 2hx0 s ARG 55 Ca -0.01 -1.15 -0.11 0.00 -0.13 0.00 0.00 55.73 54.33 2hx0 s ARG 55 Cb -0.07 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2hx0 s ARG 55 CO 0.01 -0.59 1.09 0.71 -0.81 0.00 0.00 175.30 175.70 2hx0 s TYR 56 N 1.35 2.70 -0.24 5.12 2.02 -1.26 -0.95 117.35 126.09 2hx0 s TYR 56 Ca -0.02 1.53 -0.42 0.00 -0.37 0.00 0.00 57.07 57.79 2hx0 s TYR 56 Cb -0.19 -3.02 -0.18 0.00 -0.40 0.00 0.00 41.96 38.17 2hx0 s TYR 56 CO 0.01 -1.66 1.52 0.00 -1.57 0.00 0.00 175.55 173.85 2hx0 n ALA 57 N -3.35 -1.25 -0.75 3.71 0.00 -1.26 -1.17 120.51 116.43 2hx0 n ALA 57 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2hx0 n ALA 57 Cb 0.53 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2hx0 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hx0 n GLY 58 N 3.41 0.52 3.90 0.00 0.00 -1.26 -4.99 105.19 106.76 2hx0 n GLY 58 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2hx0 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hx0 s GLN 59 N -0.48 3.63 -0.19 1.61 -1.52 -0.32 -5.02 119.66 117.37 2hx0 s GLN 59 Ca 0.00 -0.04 -0.04 0.00 -1.95 0.00 0.00 55.36 53.33 2hx0 s GLN 59 Cb 0.00 -2.72 -0.22 0.00 -0.22 0.00 0.00 33.01 29.86 2hx0 s GLN 59 CO 0.00 0.30 0.09 -1.91 -0.25 0.00 0.00 175.29 173.53 2hx0 n GLU 60 N -0.61 0.70 -2.44 2.91 4.07 -1.26 -4.75 120.64 119.27 2hx0 n GLU 60 Ca -0.02 0.23 -0.35 0.00 -0.06 0.00 0.00 57.16 56.96 2hx0 n GLU 60 Cb 0.53 -1.63 -0.02 0.00 -0.06 0.00 0.00 31.44 30.27 2hx0 n GLU 60 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hx0 s ALA 61 N -2.53 2.83 -0.08 4.31 0.00 -1.26 -5.04 121.76 119.99 2hx0 s ALA 61 Ca -0.28 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 2hx0 s ALA 61 Cb 0.08 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2hx0 s ALA 61 CO 0.68 -0.48 0.38 0.99 0.00 0.00 0.00 175.76 177.33 2hx0 s THR 62 N -1.88 5.17 -0.25 0.00 2.01 -1.26 -4.50 115.64 114.94 2hx0 s THR 62 Ca 0.69 0.75 -0.13 0.00 0.31 0.00 0.00 61.69 63.30 2hx0 s THR 62 Cb -0.20 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2hx0 s THR 62 CO 0.23 0.47 0.30 -0.89 -0.69 0.00 0.00 174.62 174.04 2hx0 s THR 63 N -0.27 5.25 -0.20 -0.82 2.01 0.16 -4.94 115.64 116.84 2hx0 s THR 63 Ca 0.22 0.44 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 2hx0 s THR 63 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2hx0 s THR 63 CO 0.09 0.24 0.03 -0.44 -0.69 0.00 0.00 174.62 173.86 2hx0 s SER 64 N 1.36 5.15 0.12 3.53 0.01 -1.26 -1.45 113.70 121.16 2hx0 s SER 64 Ca 0.13 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2hx0 s SER 64 Cb -0.15 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2hx0 s SER 64 CO 0.08 0.09 -0.15 -0.76 0.41 0.00 0.00 173.24 172.91 2hx0 s LEU 65 N 0.85 2.40 -0.01 2.44 1.43 0.23 -4.99 118.68 121.03 2hx0 s LEU 65 Ca 0.02 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 2hx0 s LEU 65 Cb -0.14 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.49 2hx0 s LEU 65 CO 0.02 -0.12 -0.01 -0.89 0.23 0.00 0.00 176.35 175.58 2hx0 s THR 66 N -2.05 0.13 -0.04 5.49 2.01 -1.26 -0.28 115.64 119.64 2hx0 s THR 66 Ca 0.09 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2hx0 s THR 66 Cb -0.05 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.31 2hx0 s THR 66 CO 0.03 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2hx0 n GLY 67 N 3.25 -0.77 2.96 4.40 0.00 0.36 -5.01 105.19 110.38 2hx0 n GLY 67 Ca -0.15 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2hx0 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hx0 s THR 68 N -4.00 1.77 0.14 2.61 2.01 -1.26 -4.31 115.64 112.59 2hx0 s THR 68 Ca 0.00 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.43 2hx0 s THR 68 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2hx0 s THR 68 CO 0.00 -0.32 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.06 2hx0 s PHE 69 N 1.23 1.76 -0.08 4.92 0.40 -0.64 -4.08 117.98 121.50 2hx0 s PHE 69 Ca 0.01 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.88 2hx0 s PHE 69 Cb -0.19 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 2hx0 s PHE 69 CO -0.09 0.26 -0.05 -1.21 0.70 0.00 0.00 175.22 174.83 2hx0 s GLU 70 N -2.43 2.87 -0.32 0.44 0.41 -0.32 -1.03 118.70 118.33 2hx0 s GLU 70 Ca 0.11 -0.51 -0.25 0.00 -0.41 0.00 0.00 54.97 53.92 2hx0 s GLU 70 Cb -0.07 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2hx0 s GLU 70 CO 0.05 0.65 0.86 0.08 -0.49 0.00 0.00 175.26 176.41 2hx0 s VAL 71 N -0.76 4.72 -0.11 2.63 1.01 0.53 -1.04 120.40 127.37 2hx0 s VAL 71 Ca 0.12 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 2hx0 s VAL 71 Cb -0.11 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.79 2hx0 s VAL 71 CO 0.02 -0.33 0.41 -0.38 0.00 0.00 0.00 175.10 174.81 2hx0 n ILE 72 N 5.65 1.78 -3.62 2.22 5.41 0.07 -3.96 119.36 126.90 2hx0 n ILE 72 Ca 0.06 -0.67 -0.15 0.00 1.00 0.00 0.00 62.75 62.99 2hx0 n ILE 72 Cb 0.48 -1.68 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 2hx0 n ILE 72 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2hx0 s SER 73 N -6.97 -0.71 -0.18 4.38 1.04 -1.09 -4.95 113.70 105.22 2hx0 s SER 73 Ca -0.21 1.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.44 2hx0 s SER 73 Cb 0.07 1.23 0.06 0.00 0.10 0.00 0.00 66.02 67.48 2hx0 s SER 73 CO 0.78 -0.32 0.05 -0.22 0.98 0.00 0.00 173.24 174.51 2hx0 s LEU 74 N 0.03 0.90 0.15 2.42 2.96 -1.26 -1.12 118.68 122.77 2hx0 s LEU 74 Ca -0.02 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2hx0 s LEU 74 Cb -0.04 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 2hx0 s LEU 74 CO 0.03 -0.31 -0.17 0.20 -1.32 0.00 0.00 176.35 174.78 2hx0 s ASN 75 N 1.95 2.43 0.00 3.68 0.01 -0.51 -4.74 114.94 117.75 2hx0 s ASN 75 Ca 0.00 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.30 2hx0 s ASN 75 Cb -0.16 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.37 2hx0 s ASN 75 CO -0.08 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2hx0 n GLY 76 N 0.36 1.27 3.73 0.66 0.00 -1.26 -0.45 105.19 109.51 2hx0 n GLY 76 Ca -0.14 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 2hx0 n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hx0 s THR 77 N -1.11 3.98 -0.01 2.61 -4.23 -0.84 -1.27 115.64 114.78 2hx0 s THR 77 Ca 0.00 -1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 58.67 2hx0 s THR 77 Cb 0.00 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.79 2hx0 s THR 77 CO 0.00 -0.30 0.61 -1.48 -0.54 0.00 0.00 174.62 172.91 2hx0 s LEU 78 N -3.58 -0.42 0.00 4.79 2.34 -0.31 -1.26 118.68 120.25 2hx0 s LEU 78 Ca 0.31 0.49 -0.11 0.00 0.06 0.00 0.00 54.13 54.88 2hx0 s LEU 78 Cb -0.08 2.37 0.04 0.00 -0.56 0.00 0.00 46.19 47.96 2hx0 s LEU 78 CO 0.22 -0.66 0.66 -1.84 -1.06 0.00 0.00 176.35 173.67 2hx0 n GLU 79 N 0.71 0.94 -0.36 1.48 0.00 0.03 -1.37 120.64 122.07 2hx0 n GLU 79 Ca -0.19 -2.15 0.04 0.00 0.00 0.00 0.00 57.16 54.86 2hx0 n GLU 79 Cb 0.58 2.51 0.11 0.00 0.00 0.00 0.00 31.44 34.65 2hx0 n GLU 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2hx0 h LEU 80 N 0.00 -1.04 -3.30 -1.84 3.38 -1.63 -2.95 115.31 107.94 2hx0 h LEU 80 Ca -0.29 0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2hx0 h LEU 80 Cb 1.12 0.64 -0.18 0.00 0.09 0.00 0.00 40.66 42.33 2hx0 h LEU 80 CO 0.38 -0.32 -0.70 0.35 0.09 0.00 0.00 178.44 178.24 2hx0 n THR 81 N -5.59 1.83 -3.64 0.22 -2.24 -1.26 -4.92 114.28 98.68 2hx0 n THR 81 Ca 0.14 -3.03 0.00 0.00 -2.27 0.00 0.00 64.05 58.90 2hx0 n THR 81 Cb 0.47 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 2hx0 n THR 81 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2hx0 s GLY 82 N -3.13 -0.38 0.02 3.38 0.00 -1.12 -4.98 107.32 101.12 2hx0 s GLY 82 Ca 0.39 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 2hx0 s GLY 82 CO -0.06 0.13 1.14 -1.83 0.00 0.00 0.00 173.10 172.48 2hx0 s GLU 83 N -2.57 0.68 -0.31 2.90 1.03 -1.26 -0.79 118.70 118.39 2hx0 s GLU 83 Ca 0.13 -0.36 0.04 0.00 0.03 0.00 0.00 54.97 54.81 2hx0 s GLU 83 Cb 0.03 0.24 0.18 0.00 -0.80 0.00 0.00 34.13 33.78 2hx0 s GLU 83 CO -0.03 -0.31 0.49 -1.58 -1.33 0.00 0.00 175.26 172.50 2hx0 s HIS 84 N -2.76 -1.32 -0.03 4.83 2.46 -0.39 -4.98 115.29 113.11 2hx0 s HIS 84 Ca 0.12 0.49 0.06 0.00 0.47 0.00 0.00 55.06 56.20 2hx0 s HIS 84 Cb 0.02 0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.49 2hx0 s HIS 84 CO -0.02 -1.04 -0.22 -0.51 -2.47 0.00 0.00 174.74 170.48 2hx0 s LEU 85 N 2.49 2.02 0.02 8.88 1.43 -1.26 -1.98 118.68 130.29 2hx0 s LEU 85 Ca 0.11 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 2hx0 s LEU 85 Cb -0.11 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2hx0 s LEU 85 CO -0.25 0.24 -0.20 -1.00 0.23 0.00 0.00 176.35 175.37 2hx0 s HIS 86 N -0.35 2.50 0.01 0.29 3.76 0.41 -4.62 115.29 117.29 2hx0 s HIS 86 Ca 0.04 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.70 2hx0 s HIS 86 Cb -0.10 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 2hx0 s HIS 86 CO 0.01 0.18 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.75 2hx0 s LEU 87 N -1.20 2.09 -0.09 0.89 2.96 -0.33 -1.43 118.68 121.57 2hx0 s LEU 87 Ca 0.13 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2hx0 s LEU 87 Cb -0.10 -0.76 0.02 0.00 0.50 0.00 0.00 46.19 45.85 2hx0 s LEU 87 CO 0.03 0.14 -0.11 0.00 -1.32 0.00 0.00 176.35 175.09 2hx0 s ALA 88 N -0.57 1.32 0.16 5.97 0.00 -0.27 -1.84 121.76 126.53 2hx0 s ALA 88 Ca 0.05 -0.49 0.09 0.00 0.00 0.00 0.00 51.96 51.60 2hx0 s ALA 88 Cb -0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2hx0 s ALA 88 CO 0.00 -0.11 -0.19 0.14 0.00 0.00 0.00 175.76 175.60 2hx0 s VAL 89 N 1.10 1.85 0.12 0.00 -7.23 -0.40 -0.76 120.40 115.08 2hx0 s VAL 89 Ca -0.06 -1.88 0.10 0.00 -1.81 0.00 0.00 61.98 58.33 2hx0 s VAL 89 Cb -0.14 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2hx0 s VAL 89 CO -0.02 -0.27 -0.25 -0.94 -0.31 0.00 0.00 175.10 173.32 2hx0 s SER 90 N -2.57 3.45 0.42 4.85 1.04 -0.20 -1.28 113.70 119.41 2hx0 s SER 90 Ca 0.15 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 55.94 2hx0 s SER 90 Cb -0.06 -0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.80 2hx0 s SER 90 CO 0.07 0.18 0.42 -0.90 0.98 0.00 0.00 173.24 173.99 2hx0 n ASP 91 N 0.94 2.06 0.00 7.02 5.68 -0.08 -1.17 116.55 131.01 2hx0 n ASP 91 Ca -0.17 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.78 2hx0 n ASP 91 Cb 0.53 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2hx0 n ASP 91 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 2hx0 n PRO 92 N -1.65 0.00 -0.05 0.11 -0.02 -1.26 -0.62 135.00 131.51 2hx0 n PRO 92 Ca 0.03 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2hx0 n PRO 92 Cb 0.47 -1.59 0.07 0.00 -0.02 0.00 0.00 33.50 32.42 2hx0 n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hx0 n TYR 93 N -1.38 0.14 -0.21 6.00 4.01 -1.26 -4.97 117.16 119.49 2hx0 n TYR 93 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2hx0 n TYR 93 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2hx0 n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hx0 n GLY 94 N 0.36 1.49 2.06 2.72 0.00 0.21 -5.23 105.19 106.81 2hx0 n GLY 94 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2hx0 n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hx0 n VAL 95 N -2.00 0.00 -3.65 1.61 0.31 -1.26 -4.63 118.33 108.71 2hx0 n VAL 95 Ca 0.00 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 2hx0 n VAL 95 Cb 0.00 -1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.82 2hx0 n VAL 95 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hx0 s LEU 97 N 0.00 -0.04 0.04 7.52 1.43 -0.40 -0.90 118.68 126.32 2hx0 s LEU 97 Ca 0.42 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 2hx0 s LEU 97 Cb -0.05 1.08 -0.02 0.00 0.03 0.00 0.00 46.19 47.24 2hx0 s LEU 97 CO 0.33 -0.01 0.03 -0.83 0.23 0.00 0.00 176.35 176.09 2hx0 s GLY 98 N 0.06 0.28 0.00 -3.19 0.00 -1.26 -1.28 107.32 101.94 2hx0 s GLY 98 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2hx0 s GLY 98 CO -0.16 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.66 2hx0 n GLY 99 N 0.71 -1.30 0.00 0.20 0.00 -0.77 -4.80 105.19 99.24 2hx0 n GLY 99 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2hx0 n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hx0 n HIS 100 N 1.90 0.00 -2.59 1.61 -0.00 -0.12 -1.19 115.22 114.83 2hx0 n HIS 100 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 2hx0 n HIS 100 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2hx0 n HIS 100 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2hx0 s PRO 103 N 0.00 4.69 0.00 1.57 0.02 -1.26 -0.35 135.00 139.66 2hx0 s PRO 103 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.68 2hx0 s PRO 103 Cb 0.00 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2hx0 s PRO 103 CO 0.00 0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.38 2hx0 n GLY 104 N 1.22 0.51 3.67 0.52 0.00 -1.26 -4.79 105.19 105.05 2hx0 n GLY 104 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2hx0 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hx0 s THR 106 N 2.37 3.05 0.28 0.00 -4.23 -0.26 -0.74 115.64 116.11 2hx0 s THR 106 Ca 0.41 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.92 2hx0 s THR 106 Cb -0.17 -2.21 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 2hx0 s THR 106 CO 0.12 0.57 1.40 -0.69 -0.54 0.00 0.00 174.62 175.48 2hx0 s VAL 107 N -0.43 2.67 -0.03 2.29 1.01 0.13 -0.95 120.40 125.07 2hx0 s VAL 107 Ca 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2hx0 s VAL 107 Cb -0.12 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2hx0 s VAL 107 CO 0.02 0.11 -0.04 -1.14 0.00 0.00 0.00 175.10 174.05 2hx0 n ARG 108 N 1.76 0.10 -0.03 2.72 0.63 -0.34 -0.92 116.66 120.58 2hx0 n ARG 108 Ca 0.04 0.29 -0.04 0.00 -0.92 0.00 0.00 57.85 57.23 2hx0 n ARG 108 Cb 0.41 -0.95 -0.05 0.00 0.45 0.00 0.00 32.46 32.33 2hx0 n ARG 108 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2hx0 n THR 109 N -2.81 0.43 -3.60 5.15 -2.24 -1.26 -4.47 114.28 105.48 2hx0 n THR 109 Ca -0.02 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2hx0 n THR 109 Cb 0.06 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 2hx0 n THR 109 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2hx0 s THR 110 N -2.15 0.00 -0.20 4.28 -1.32 -1.26 -4.26 115.64 110.73 2hx0 s THR 110 Ca -0.05 -0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.34 2hx0 s THR 110 Cb 0.02 -1.21 0.09 0.00 -1.51 0.00 0.00 72.50 69.89 2hx0 s THR 110 CO 0.24 0.00 0.23 -0.22 -2.21 0.00 0.00 174.62 172.66 2hx0 s LEU 111 N -2.35 -0.15 -0.19 9.08 2.96 -1.16 -1.13 118.68 125.74 2hx0 s LEU 111 Ca 0.10 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 2hx0 s LEU 111 Cb 0.00 0.44 -0.05 0.00 0.50 0.00 0.00 46.19 47.09 2hx0 s LEU 111 CO -0.04 -0.32 0.19 -1.61 -1.32 0.00 0.00 176.35 173.25 2hx0 s GLU 112 N 2.34 4.20 0.02 1.98 2.02 0.14 -0.43 118.70 128.96 2hx0 s GLU 112 Ca 0.07 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.97 2hx0 s GLU 112 Cb -0.15 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 2hx0 s GLU 112 CO -0.12 0.23 -0.09 -0.51 0.02 0.00 0.00 175.26 174.79 2hx0 s LEU 113 N 0.53 2.10 -0.21 1.80 1.43 -0.13 -1.50 118.68 122.70 2hx0 s LEU 113 Ca 0.11 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2hx0 s LEU 113 Cb -0.12 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.74 2hx0 s LEU 113 CO 0.01 0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 175.79 2hx0 s VAL 114 N -0.59 1.90 -0.15 -1.59 1.01 -0.15 -1.33 120.40 119.50 2hx0 s VAL 114 Ca -0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 2hx0 s VAL 114 Cb -0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2hx0 s VAL 114 CO 0.00 0.22 -0.05 -0.63 0.00 0.00 0.00 175.10 174.64 2hx0 s ILE 115 N 1.29 3.77 -0.03 2.22 1.09 0.45 -0.76 121.20 129.22 2hx0 s ILE 115 Ca -0.02 -0.41 -0.04 0.00 -1.10 0.00 0.00 60.65 59.09 2hx0 s ILE 115 Cb -0.16 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.56 2hx0 s ILE 115 CO -0.09 0.50 0.19 -0.83 -0.10 0.00 0.00 174.94 174.61 2hx0 s GLY 116 N 0.29 2.18 -0.04 6.18 0.00 -0.42 -0.52 107.32 114.99 2hx0 s GLY 116 Ca -0.04 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.01 2hx0 s GLY 116 CO 0.03 -0.56 -0.16 1.85 0.00 0.00 0.00 173.10 174.26 2hx0 s GLU 117 N -1.72 1.61 -0.64 2.90 2.56 0.26 -1.24 118.70 122.43 2hx0 s GLU 117 Ca 0.25 -0.58 -0.09 0.00 0.00 0.00 0.00 54.97 54.55 2hx0 s GLU 117 Cb -0.13 -1.44 0.17 0.00 2.00 0.00 0.00 34.13 34.73 2hx0 s GLU 117 CO 0.15 0.25 0.52 -0.51 -0.56 0.00 0.00 175.26 175.12 2hx0 s LEU 118 N -0.03 5.90 0.61 2.70 1.43 0.16 -1.00 118.68 128.44 2hx0 s LEU 118 Ca -0.02 -2.50 0.30 0.00 -1.03 0.00 0.00 54.13 50.88 2hx0 s LEU 118 Cb -0.10 -2.03 1.65 0.00 0.03 0.00 0.00 46.19 45.74 2hx0 s LEU 118 CO 0.01 -0.54 2.02 -0.65 0.23 0.00 0.00 176.35 177.42 2hx0 h PRO 119 N 7.74 0.00 -0.01 1.29 0.11 -1.87 -1.76 132.00 137.49 2hx0 h PRO 119 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2hx0 h PRO 119 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2hx0 h PRO 119 CO 0.78 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.41 2hx0 n ALA 120 N -2.22 2.89 -2.46 -0.75 0.00 -1.26 -4.70 120.51 112.02 2hx0 n ALA 120 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 2hx0 n ALA 120 Cb 0.42 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2hx0 n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hx0 s LEU 121 N -2.33 2.41 -0.03 0.00 1.43 -0.66 -1.04 118.68 118.46 2hx0 s LEU 121 Ca 0.29 -1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2hx0 s LEU 121 Cb 0.20 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.89 2hx0 s LEU 121 CO 0.45 -0.47 0.03 -0.89 0.23 0.00 0.00 176.35 175.70 2hx0 s THR 122 N -3.10 0.02 0.02 5.49 2.01 0.48 -4.38 115.64 116.18 2hx0 s THR 122 Ca 0.33 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 2hx0 s THR 122 Cb 0.07 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 2hx0 s THR 122 CO 0.14 0.13 0.30 -0.36 -0.69 0.00 0.00 174.62 174.13 2hx0 s PHE 123 N 1.27 3.58 0.21 4.92 0.08 0.10 -1.86 117.98 126.29 2hx0 s PHE 123 Ca -0.06 0.62 -0.10 0.00 0.12 0.00 0.00 56.93 57.51 2hx0 s PHE 123 Cb -0.13 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2hx0 s PHE 123 CO -0.03 0.59 0.36 -1.54 -0.10 0.00 0.00 175.22 174.51 2hx0 s SER 124 N -1.70 -0.02 -0.27 1.36 1.04 -0.61 -4.87 113.70 108.63 2hx0 s SER 124 Ca 0.29 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2hx0 s SER 124 Cb -0.13 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.54 2hx0 s SER 124 CO 0.16 -1.01 -0.06 -0.13 0.98 0.00 0.00 173.24 173.18 2hx0 s ARG 125 N -4.03 2.40 0.06 4.02 1.81 -1.26 -0.63 118.95 121.32 2hx0 s ARG 125 Ca 0.24 -1.26 0.09 0.00 -1.72 0.00 0.00 55.73 53.07 2hx0 s ARG 125 Cb 0.02 -3.02 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 2hx0 s ARG 125 CO 0.07 -0.57 -0.23 -0.65 -0.68 0.00 0.00 175.30 173.24 2hx0 s GLN 126 N 1.19 1.83 0.18 3.54 -1.52 -0.42 -4.78 119.66 119.69 2hx0 s GLN 126 Ca -0.06 -1.11 -0.32 0.00 -1.95 0.00 0.00 55.36 51.92 2hx0 s GLN 126 Cb -0.19 -2.04 -0.11 0.00 -0.22 0.00 0.00 33.01 30.44 2hx0 s GLN 126 CO -0.03 0.51 1.74 -1.25 -0.25 0.00 0.00 175.29 176.01 2hx0 s PRO 127 N -1.47 4.13 -0.26 2.91 0.04 -1.26 -0.29 135.00 138.79 2hx0 s PRO 127 Ca 0.13 2.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.67 2hx0 s PRO 127 Cb -0.10 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2hx0 s PRO 127 CO 0.04 -0.77 0.16 0.00 0.04 0.00 0.00 177.00 176.47 2hx0 h ALA 129 N 8.07 1.00 0.00 0.00 0.00 -1.93 0.10 119.26 126.50 2hx0 h ALA 129 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2hx0 h ALA 129 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2hx0 h ALA 129 CO 0.59 0.00 -0.26 0.82 0.00 0.00 0.00 179.25 180.39 2hx0 h ILE 130 N 0.00 1.62 0.00 0.00 5.03 -1.94 -3.38 117.51 118.84 2hx0 h ILE 130 Ca 0.00 -2.32 -0.19 0.00 -0.12 0.00 0.00 64.86 62.23 2hx0 h ILE 130 Cb 0.38 3.16 -0.03 0.00 -3.03 0.00 0.00 36.82 37.30 2hx0 h ILE 130 CO 0.00 0.55 -1.11 0.77 -0.68 0.00 0.00 178.15 177.68 2hx0 h SER 131 N -0.99 0.00 0.00 1.72 4.64 -1.99 -3.48 113.55 113.46 2hx0 h SER 131 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2hx0 h SER 131 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2hx0 h SER 131 CO -0.04 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2hx0 n GLY 132 N 1.37 0.66 3.36 -0.77 0.00 0.02 -5.04 105.19 104.79 2hx0 n GLY 132 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 2hx0 n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hx0 s TYR 133 N -2.05 1.68 -0.10 1.61 2.02 -1.24 -4.91 117.35 114.35 2hx0 s TYR 133 Ca 0.00 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 2hx0 s TYR 133 Cb 0.00 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2hx0 s TYR 133 CO 0.00 -0.02 1.12 -0.51 -1.57 0.00 0.00 175.55 174.57 2hx0 s ASP 134 N -3.36 7.12 0.37 2.29 1.01 -1.26 -1.08 116.67 121.76 2hx0 s ASP 134 Ca 0.31 1.67 0.08 0.00 0.71 0.00 0.00 52.55 55.32 2hx0 s ASP 134 Cb 0.06 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 2hx0 s ASP 134 CO 0.11 -0.55 -0.03 -1.61 0.21 0.00 0.00 175.17 173.29 2hx0 s GLU 135 N 2.32 1.92 0.17 8.23 0.41 0.60 -4.77 118.70 127.58 2hx0 s GLU 135 Ca 0.52 -1.97 -0.31 0.00 -0.41 0.00 0.00 54.97 52.80 2hx0 s GLU 135 Cb -0.21 -1.73 -0.11 0.00 -1.78 0.00 0.00 34.13 30.30 2hx0 s GLU 135 CO 0.19 0.06 1.78 -1.17 -0.49 0.00 0.00 175.26 175.63 2hx0 s LEU 136 N -3.67 4.39 -0.08 1.80 2.96 -1.26 -1.30 118.68 121.51 2hx0 s LEU 136 Ca 0.34 2.82 0.04 0.00 -0.22 0.00 0.00 54.13 57.12 2hx0 s LEU 136 Cb 0.05 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 2hx0 s LEU 136 CO 0.18 -0.99 -0.22 -2.28 -1.32 0.00 0.00 176.35 171.71 2hx0 s HIS 137 N 1.98 2.32 -0.16 5.38 5.65 0.20 -4.88 115.29 125.78 2hx0 s HIS 137 Ca 0.78 -0.88 0.00 0.00 0.25 0.00 0.00 55.06 55.21 2hx0 s HIS 137 Cb -0.48 -1.56 -0.00 0.00 -1.18 0.00 0.00 32.58 29.36 2hx0 s HIS 137 CO 0.34 -0.35 -0.15 0.42 -0.65 0.00 0.00 174.74 174.36 2hx0 s ILE 138 N 0.27 2.65 0.22 0.89 1.09 -1.26 -1.57 121.20 123.50 2hx0 s ILE 138 Ca -0.15 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 2hx0 s ILE 138 Cb -0.16 -2.12 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 2hx0 s ILE 138 CO 0.07 0.51 0.10 -0.94 -0.10 0.00 0.00 174.94 174.58 2hx0 s SER 139 N 0.86 0.79 0.40 3.58 1.04 -0.78 -4.66 113.70 114.92 2hx0 s SER 139 Ca -0.04 -1.35 -0.25 0.00 0.48 0.00 0.00 55.95 54.78 2hx0 s SER 139 Cb -0.15 0.24 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 2hx0 s SER 139 CO -0.01 -0.75 1.20 -0.55 0.98 0.00 0.00 173.24 174.11 2hx0 s SER 140 N -3.23 6.48 0.28 7.02 0.15 -1.26 -0.39 113.70 122.75 2hx0 s SER 140 Ca 0.36 2.42 0.02 0.00 0.70 0.00 0.00 55.95 59.45 2hx0 s SER 140 Cb 0.07 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.19 2hx0 s SER 140 CO 0.11 -0.71 1.74 -0.09 1.20 0.00 0.00 173.24 175.49 2hx0 h ARG 141 N 2.66 0.52 -0.02 5.44 9.65 -1.30 -3.41 114.38 127.92 2hx0 h ARG 141 Ca -0.49 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.21 2hx0 h ARG 141 Cb 1.24 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2hx0 h ARG 141 CO 0.63 0.69 0.00 1.28 2.80 0.00 0.00 179.97 185.37