#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huf s SER 4 N 0.00 5.47 0.14 1.45 1.04 -1.26 -4.74 113.70 115.80 1huf s SER 4 Ca 0.00 1.67 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 1huf s SER 4 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1huf s SER 4 CO 0.00 -1.39 1.56 0.25 0.98 0.00 0.00 173.24 174.65 1huf h LEU 5 N -0.42 -1.63 -1.06 2.42 5.85 -2.00 0.14 115.31 118.61 1huf h LEU 5 Ca -0.45 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1huf h LEU 5 Cb 1.21 0.69 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 1huf h LEU 5 CO 0.57 -0.39 -0.28 0.77 -0.34 0.00 0.00 178.44 178.76 1huf h SER 6 N -0.37 0.32 0.95 1.25 4.64 -1.97 -1.92 113.55 116.45 1huf h SER 6 Ca 0.11 -0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1huf h SER 6 Cb 0.60 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1huf h SER 6 CO -0.58 0.60 -1.10 0.44 -0.87 0.00 0.00 176.83 175.31 1huf h ASP 7 N 0.28 0.00 -0.62 4.97 3.32 -1.75 -1.48 116.42 121.14 1huf h ASP 7 Ca 0.04 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.16 1huf h ASP 7 Cb 0.65 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1huf h ASP 7 CO 0.05 0.89 0.31 0.25 -1.72 0.00 0.00 179.24 179.01 1huf h LEU 8 N 0.00 0.41 -0.83 1.55 5.85 -0.61 0.64 115.31 122.32 1huf h LEU 8 Ca -0.08 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1huf h LEU 8 Cb 1.75 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 1huf h LEU 8 CO 0.10 0.26 0.15 -0.74 -0.34 0.00 0.00 178.44 177.88 1huf h HIS 9 N 0.56 1.07 -0.21 1.25 2.76 -1.28 0.10 115.15 119.40 1huf h HIS 9 Ca 0.29 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1huf h HIS 9 Cb 0.24 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1huf h HIS 9 CO -0.11 0.88 0.12 0.00 -1.30 0.00 0.00 177.93 177.52 1huf h ARG 10 N 0.98 0.28 -0.34 5.26 3.08 -0.82 0.13 114.38 122.95 1huf h ARG 10 Ca 0.21 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1huf h ARG 10 Cb 0.35 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1huf h ARG 10 CO 0.00 0.24 0.16 1.96 -1.07 0.00 0.00 179.97 181.26 1huf h GLN 11 N 0.24 0.50 -0.33 0.04 4.20 -0.58 -0.85 115.11 118.33 1huf h GLN 11 Ca 0.07 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1huf h GLN 11 Cb 0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1huf h GLN 11 CO -0.01 0.46 0.04 0.28 -0.67 0.00 0.00 178.83 178.93 1huf h VAL 12 N 0.41 1.24 -0.84 -0.54 2.07 -0.80 -2.60 116.25 115.20 1huf h VAL 12 Ca 0.12 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1huf h VAL 12 Cb 0.14 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1huf h VAL 12 CO -0.01 0.28 0.55 0.28 0.02 0.00 0.00 177.57 178.69 1huf h SER 13 N 0.37 0.89 -0.23 0.57 0.02 -0.60 -0.14 113.55 114.43 1huf h SER 13 Ca 0.10 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1huf h SER 13 Cb 0.38 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1huf h SER 13 CO 0.01 0.61 0.13 0.03 -1.14 0.00 0.00 176.83 176.47 1huf h ARG 14 N 1.03 0.32 -0.55 3.45 3.08 -0.96 0.24 114.38 120.99 1huf h ARG 14 Ca 0.34 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 1huf h ARG 14 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1huf h ARG 14 CO -0.10 0.27 0.09 -0.07 -1.07 0.00 0.00 179.97 179.09 1huf h LEU 15 N 0.28 0.83 -0.68 3.04 3.38 -0.91 -1.97 115.31 119.29 1huf h LEU 15 Ca 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1huf h LEU 15 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1huf h LEU 15 CO -0.01 0.84 0.32 0.58 0.09 0.00 0.00 178.44 180.25 1huf h VAL 16 N 0.84 1.23 -0.09 1.22 2.07 -0.61 -1.11 116.25 119.80 1huf h VAL 16 Ca 0.18 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1huf h VAL 16 Cb 0.36 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1huf h VAL 16 CO 0.01 0.27 -0.16 1.56 0.02 0.00 0.00 177.57 179.27 1huf h GLN 17 N 0.94 0.14 0.00 1.57 4.20 0.18 0.92 115.11 123.06 1huf h GLN 17 Ca 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1huf h GLN 17 Cb 0.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1huf h GLN 17 CO -0.03 0.30 0.00 1.04 -0.67 0.00 0.00 178.83 179.48 1huf n GLN 18 N -4.28 0.90 -2.52 1.46 6.02 -0.81 -4.88 117.38 113.25 1huf n GLN 18 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 1huf n GLN 18 Cb 0.27 -1.24 0.01 0.00 1.02 0.00 0.00 30.24 30.30 1huf n GLN 18 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1huf n GLU 19 N -0.74 -1.74 -0.41 -1.09 1.02 0.32 -4.95 120.64 113.04 1huf n GLU 19 Ca 0.10 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.65 1huf n GLU 19 Cb 0.05 -3.99 0.25 0.00 -0.02 0.00 0.00 31.44 27.73 1huf n GLU 19 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1huf n SER 20 N 0.23 3.80 -0.22 1.62 7.64 -0.45 -4.77 113.62 121.46 1huf n SER 20 Ca -0.04 -2.73 0.15 0.00 1.01 0.00 0.00 58.87 57.26 1huf n SER 20 Cb 0.54 -0.48 0.47 0.00 -1.01 0.00 0.00 64.21 63.73 1huf n SER 20 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1huf h GLY 21 N 2.10 0.92 2.00 0.23 0.00 -1.74 0.24 103.07 106.81 1huf h GLY 21 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1huf h GLY 21 CO 0.18 0.05 0.00 2.09 0.00 0.00 0.00 176.54 178.86 1huf n ASP 22 N -4.52 0.00 -4.79 0.19 5.68 -1.26 -0.25 116.55 111.60 1huf n ASP 22 Ca 0.17 0.49 -0.36 0.00 -0.50 0.00 0.00 54.79 54.60 1huf n ASP 22 Cb 0.56 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.98 1huf n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1huf s THR 24 N -1.79 3.33 0.19 0.00 -4.23 -1.26 -0.77 115.64 111.11 1huf s THR 24 Ca 0.55 0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 61.61 1huf s THR 24 Cb -0.16 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 1huf s THR 24 CO 0.21 -0.34 0.52 -0.83 -0.54 0.00 0.00 174.62 173.64 1huf s GLY 25 N -2.45 2.32 -0.07 3.99 0.00 -0.23 -0.09 107.32 110.78 1huf s GLY 25 Ca 0.67 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.15 1huf s GLY 25 CO 0.38 -0.11 -0.18 0.54 0.00 0.00 0.00 173.10 173.72 1huf s LYS 26 N -2.54 2.29 -0.01 2.90 1.02 0.53 -4.17 119.74 119.77 1huf s LYS 26 Ca 0.43 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.78 1huf s LYS 26 Cb -0.12 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1huf s LYS 26 CO 0.21 0.14 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.60 1huf s LEU 27 N 0.39 1.61 0.00 3.17 2.96 -0.38 -0.72 118.68 125.72 1huf s LEU 27 Ca -0.14 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1huf s LEU 27 Cb -0.16 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.38 1huf s LEU 27 CO 0.06 -0.03 0.05 -1.14 -1.32 0.00 0.00 176.35 173.96 1huf n ARG 28 N 3.55 0.00 0.00 1.98 0.00 -1.26 -4.52 116.66 116.41 1huf n ARG 28 Ca -0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 1huf n ARG 28 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.95 1huf n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1huf n GLY 29 N 0.00 -1.02 3.87 5.14 0.00 -1.26 -5.09 105.19 106.83 1huf n GLY 29 Ca 0.00 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 1huf n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1huf s ASN 30 N -2.36 6.57 0.26 1.61 -0.87 -1.26 -4.90 114.94 113.99 1huf s ASN 30 Ca 0.00 0.67 -0.30 0.00 -1.57 0.00 0.00 52.86 51.66 1huf s ASN 30 Cb 0.00 -2.13 -0.09 0.00 -0.02 0.00 0.00 41.25 39.01 1huf s ASN 30 CO 0.00 0.25 1.08 -0.69 -2.57 0.00 0.00 177.10 175.17 1huf s VAL 31 N -1.28 3.60 0.07 1.60 1.01 -1.26 -4.65 120.40 119.48 1huf s VAL 31 Ca 0.28 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1huf s VAL 31 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1huf s VAL 31 CO 0.15 0.36 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 1huf s ALA 32 N -1.03 1.88 -0.04 5.51 0.00 0.11 -4.98 121.76 123.20 1huf s ALA 32 Ca 0.45 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 1huf s ALA 32 Cb -0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1huf s ALA 32 CO 0.39 0.41 0.77 0.00 0.00 0.00 0.00 175.76 177.33 1huf s ALA 33 N -0.94 3.30 -0.44 0.00 0.00 -1.26 -0.34 121.76 122.08 1huf s ALA 33 Ca 0.08 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 1huf s ALA 33 Cb -0.09 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1huf s ALA 33 CO 0.03 -0.12 1.70 1.21 0.00 0.00 0.00 175.76 178.58 1huf s ASN 34 N 0.78 5.84 0.12 0.00 2.47 0.87 -4.82 114.94 120.20 1huf s ASN 34 Ca 0.41 0.86 0.16 0.00 0.42 0.00 0.00 52.86 54.71 1huf s ASN 34 Cb -0.19 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 36.99 1huf s ASN 34 CO 0.21 -1.83 1.00 0.11 -3.72 0.00 0.00 177.10 172.87 1huf h LYS 35 N 12.81 0.00 0.32 0.43 1.79 -1.95 -3.40 116.57 126.57 1huf h LYS 35 Ca -0.30 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1huf h LYS 35 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1huf h LYS 35 CO 1.10 0.38 -0.15 1.49 -1.08 0.00 0.00 179.45 181.19 1huf h GLU 36 N 0.00 -0.41 -6.26 3.15 4.81 -2.00 -3.46 114.58 110.41 1huf h GLU 36 Ca -0.12 0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.54 1huf h GLU 36 Cb 1.55 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.90 1huf h GLU 36 CO 0.06 -0.28 -0.72 0.95 -0.73 0.00 0.00 179.01 178.28 1huf s THR 37 N -3.69 2.84 0.54 0.32 -4.23 -1.26 -5.15 115.64 105.02 1huf s THR 37 Ca -0.06 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1huf s THR 37 Cb 0.01 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1huf s THR 37 CO 0.19 -0.35 0.76 0.42 -0.54 0.00 0.00 174.62 175.10 1huf s THR 38 N -2.33 2.64 -0.15 3.99 -4.23 -1.26 -4.71 115.64 109.60 1huf s THR 38 Ca 0.29 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 1huf s THR 38 Cb -0.06 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1huf s THR 38 CO 0.16 0.00 1.23 0.12 -0.54 0.00 0.00 174.62 175.59 1huf s PHE 39 N -2.71 2.96 -0.01 3.99 5.36 -1.26 -4.87 117.98 121.43 1huf s PHE 39 Ca 0.58 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.66 1huf s PHE 39 Cb -0.09 -3.47 0.02 0.00 -0.34 0.00 0.00 43.02 39.14 1huf s PHE 39 CO 0.38 -1.51 0.76 1.04 -1.46 0.00 0.00 175.22 174.43 1huf n GLN 40 N 6.27 0.56 -2.59 10.12 6.02 -1.26 -5.01 117.38 131.49 1huf n GLN 40 Ca 0.13 -0.95 -0.15 0.00 -0.01 0.00 0.00 57.00 56.03 1huf n GLN 40 Cb 0.45 -0.66 0.01 0.00 1.02 0.00 0.00 30.24 31.07 1huf n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1huf n GLY 41 N -0.19 -0.16 3.80 1.08 0.00 -1.26 -4.98 105.19 103.48 1huf n GLY 41 Ca 0.01 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1huf n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1huf s LEU 42 N -4.47 3.64 0.41 0.99 1.43 -1.26 -4.75 118.68 114.67 1huf s LEU 42 Ca 0.13 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.14 1huf s LEU 42 Cb -0.06 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 1huf s LEU 42 CO 0.16 -0.96 0.33 0.42 0.23 0.00 0.00 176.35 176.54 1huf s THR 43 N -2.29 2.64 0.21 5.49 -4.23 -1.26 0.17 115.64 116.36 1huf s THR 43 Ca 0.64 -1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 1huf s THR 43 Cb -0.15 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.89 1huf s THR 43 CO 0.30 -0.01 1.65 0.40 -0.54 0.00 0.00 174.62 176.42 1huf h ILE 44 N 1.12 0.46 -0.16 2.99 1.08 -1.92 0.11 117.51 121.18 1huf h ILE 44 Ca -0.42 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1huf h ILE 44 Cb 1.26 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1huf h ILE 44 CO 0.60 0.02 0.17 0.00 -0.69 0.00 0.00 178.15 178.25 1huf h ALA 45 N 1.58 1.79 -0.32 1.87 0.00 -1.95 -1.51 119.26 120.71 1huf h ALA 45 Ca 0.32 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1huf h ALA 45 Cb 0.52 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1huf h ALA 45 CO -0.56 -0.26 -0.11 -1.13 0.00 0.00 0.00 179.25 177.19 1huf n SER 46 N -3.84 2.42 0.00 0.00 3.41 0.15 -4.95 113.62 110.80 1huf n SER 46 Ca 0.01 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1huf n SER 46 Cb 0.29 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1huf n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1huf n GLY 47 N -1.12 0.81 3.76 5.00 0.00 -0.57 -4.68 105.19 108.39 1huf n GLY 47 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 1huf n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huf s ALA 48 N -2.02 3.02 0.55 4.61 0.00 0.10 -4.94 121.76 123.08 1huf s ALA 48 Ca 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1huf s ALA 48 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1huf s ALA 48 CO 0.00 -1.12 1.01 1.03 0.00 0.00 0.00 175.76 176.68 1huf s ARG 49 N -2.64 3.76 0.30 0.00 1.81 -1.26 -4.39 118.95 116.53 1huf s ARG 49 Ca 0.65 0.98 0.01 0.00 -1.72 0.00 0.00 55.73 55.65 1huf s ARG 49 Cb -0.39 -2.11 0.54 0.00 -0.45 0.00 0.00 34.95 32.55 1huf s ARG 49 CO 0.48 -0.43 1.91 0.93 -0.68 0.00 0.00 175.30 177.51 1huf h GLU 50 N 0.63 0.99 0.00 3.54 4.39 -1.96 -1.32 114.58 120.84 1huf h GLU 50 Ca -0.46 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.10 1huf h GLU 50 Cb 1.19 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1huf h GLU 50 CO 0.61 0.65 -0.38 0.66 -1.16 0.00 0.00 179.01 179.39 1huf h SER 51 N 1.02 0.00 -0.27 1.42 4.64 -1.92 -1.86 113.55 116.58 1huf h SER 51 Ca 0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 1huf h SER 51 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1huf h SER 51 CO -0.15 0.38 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.84 1huf h GLU 52 N 0.00 0.49 -0.47 4.77 5.08 -1.43 -0.72 114.58 122.29 1huf h GLU 52 Ca -0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1huf h GLU 52 Cb 0.76 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1huf h GLU 52 CO 0.05 0.66 0.28 -0.22 -1.00 0.00 0.00 179.01 178.77 1huf h LYS 53 N 0.26 0.64 -0.34 2.33 3.64 -1.06 -1.05 116.57 120.99 1huf h LYS 53 Ca 0.08 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1huf h LYS 53 Cb 0.45 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1huf h LYS 53 CO 0.02 0.48 0.12 0.28 -2.27 0.00 0.00 179.45 178.08 1huf h VAL 54 N 0.62 0.90 -0.04 2.00 2.07 -1.38 0.21 116.25 120.64 1huf h VAL 54 Ca 0.17 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1huf h VAL 54 Cb 0.01 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1huf h VAL 54 CO -0.03 0.05 -0.18 0.15 0.02 0.00 0.00 177.57 177.58 1huf h PHE 55 N 0.26 -0.46 0.10 1.57 3.57 -0.91 0.11 116.94 121.19 1huf h PHE 55 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1huf h PHE 55 Cb 0.13 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1huf h PHE 55 CO -0.14 -0.25 -0.10 0.00 -2.23 0.00 0.00 178.31 175.58 1huf h ALA 56 N 0.68 -0.20 0.00 2.41 0.00 -0.92 -1.68 119.26 119.55 1huf h ALA 56 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1huf h ALA 56 Cb 0.36 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1huf h ALA 56 CO -0.19 -0.63 -0.22 1.96 0.00 0.00 0.00 179.25 180.17 1huf h GLN 57 N -0.23 0.00 -0.43 0.00 1.08 -0.46 -0.80 115.11 114.28 1huf h GLN 57 Ca 0.01 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 1huf h GLN 57 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1huf h GLN 57 CO -0.03 0.22 -0.27 1.15 -0.95 0.00 0.00 178.83 178.95 1huf h THR 58 N 0.00 1.27 -0.12 -0.54 2.02 -0.34 0.44 112.91 115.64 1huf h THR 58 Ca -0.00 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1huf h THR 58 Cb 0.52 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1huf h THR 58 CO 0.03 0.49 -0.06 0.58 0.37 0.00 0.00 175.52 176.92 1huf h VAL 59 N 0.78 1.32 -0.68 3.16 2.07 -0.88 -1.64 116.25 120.38 1huf h VAL 59 Ca 0.09 -1.11 0.15 0.00 0.82 0.00 0.00 66.70 66.64 1huf h VAL 59 Cb 0.86 1.80 -0.11 0.00 -1.52 0.00 0.00 31.29 32.32 1huf h VAL 59 CO 0.08 0.32 0.09 0.25 0.02 0.00 0.00 177.57 178.33 1huf h LEU 60 N -0.09 -0.13 -1.27 2.57 5.85 -1.08 -1.17 115.31 119.99 1huf h LEU 60 Ca 0.03 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1huf h LEU 60 Cb 0.53 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1huf h LEU 60 CO 0.02 -0.08 0.10 0.77 -0.34 0.00 0.00 178.44 178.91 1huf h SER 61 N 0.19 0.55 0.88 1.25 4.64 -0.45 -1.23 113.55 119.38 1huf h SER 61 Ca 0.37 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1huf h SER 61 Cb 0.62 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1huf h SER 61 CO -0.52 0.55 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 1huf n HIS 62 N -4.32 0.20 -0.50 4.77 8.25 -0.48 -3.17 115.22 119.96 1huf n HIS 62 Ca 0.02 0.06 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 1huf n HIS 62 Cb 0.20 -0.61 0.17 0.00 1.12 0.00 0.00 29.99 30.87 1huf n HIS 62 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1huf n VAL 63 N -1.67 1.50 -1.63 1.59 0.24 -0.48 -4.88 118.33 113.01 1huf n VAL 63 Ca 0.05 -1.40 -0.51 0.00 -2.04 0.00 0.00 64.34 60.44 1huf n VAL 63 Cb 0.29 0.19 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 1huf n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1huf n ALA 64 N -0.14 0.70 -2.46 2.33 0.00 -1.12 -0.82 120.51 119.00 1huf n ALA 64 Ca 0.14 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 1huf n ALA 64 Cb 0.57 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1huf n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1huf n ASN 65 N 7.30 -4.49 -4.51 0.00 3.02 -1.26 -4.98 115.26 110.35 1huf n ASN 65 Ca 0.28 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 1huf n ASN 65 Cb 0.24 -3.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.76 1huf n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1huf s VAL 66 N -2.81 4.90 0.17 2.41 1.01 0.00 -5.04 120.40 121.03 1huf s VAL 66 Ca 0.08 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1huf s VAL 66 Cb -0.03 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1huf s VAL 66 CO 0.09 0.18 1.36 0.68 0.00 0.00 0.00 175.10 177.41 1huf s VAL 67 N 1.68 3.19 -0.15 2.92 -7.23 -1.26 -4.47 120.40 115.09 1huf s VAL 67 Ca 0.06 0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 61.09 1huf s VAL 67 Cb -0.16 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1huf s VAL 67 CO 0.08 0.11 0.07 -0.76 -0.31 0.00 0.00 175.10 174.29 1huf s LEU 68 N 0.41 3.91 0.63 1.32 1.43 0.50 -4.91 118.68 121.98 1huf s LEU 68 Ca 0.61 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 1huf s LEU 68 Cb -0.37 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1huf s LEU 68 CO 0.35 0.27 1.01 0.42 0.23 0.00 0.00 176.35 178.63 1huf s THR 69 N -0.21 4.20 0.57 5.49 -4.23 -1.26 0.13 115.64 120.32 1huf s THR 69 Ca 0.08 0.57 0.25 0.00 -1.18 0.00 0.00 61.69 61.41 1huf s THR 69 Cb -0.12 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.36 1huf s THR 69 CO 0.01 -0.86 2.18 -0.61 -0.54 0.00 0.00 174.62 174.80 1huf h GLN 70 N -0.36 0.00 -0.28 3.99 5.75 -1.81 0.14 115.11 122.54 1huf h GLN 70 Ca -0.45 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.90 1huf h GLN 70 Cb 1.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 1huf h GLN 70 CO 0.62 0.00 -0.41 1.05 -2.65 0.00 0.00 178.83 177.44 1huf h GLU 71 N 0.00 0.78 0.77 1.69 4.11 -1.92 0.12 114.58 120.13 1huf h GLU 71 Ca 0.03 -0.46 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 1huf h GLU 71 Cb 0.14 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1huf h GLU 71 CO -0.00 1.09 -0.45 -0.44 0.07 0.00 0.00 179.01 179.28 1huf h ASP 72 N 0.54 -1.13 -0.84 3.06 3.32 -1.38 -1.60 116.42 118.39 1huf h ASP 72 Ca 0.03 0.06 0.14 0.00 0.02 0.00 0.00 57.03 57.28 1huf h ASP 72 Cb 1.01 0.32 -0.14 0.00 0.22 0.00 0.00 39.33 40.74 1huf h ASP 72 CO 0.10 -0.71 -0.30 0.41 -1.72 0.00 0.00 179.24 177.01 1huf n THR 73 N -5.60 -0.42 -0.16 0.35 -1.04 -0.46 0.14 114.28 107.09 1huf n THR 73 Ca -0.15 1.95 0.05 0.00 -2.04 0.00 0.00 64.05 63.87 1huf n THR 73 Cb 0.48 -2.60 0.34 0.00 -1.82 0.00 0.00 70.33 66.72 1huf n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1huf h ALA 74 N 1.26 1.66 0.03 2.41 0.00 -0.40 0.21 119.26 124.43 1huf h ALA 74 Ca 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1huf h ALA 74 Cb 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1huf h ALA 74 CO -0.84 0.26 -0.02 0.87 0.00 0.00 0.00 179.25 179.53 1huf h LYS 75 N 0.78 -0.04 -0.26 0.00 1.57 0.23 -2.00 116.57 116.84 1huf h LYS 75 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1huf h LYS 75 Cb 0.13 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1huf h LYS 75 CO -0.08 0.12 0.02 -0.07 -0.57 0.00 0.00 179.45 178.87 1huf h LEU 76 N -0.20 -0.06 -1.43 2.94 3.38 -0.49 -1.97 115.31 117.49 1huf h LEU 76 Ca -0.00 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1huf h LEU 76 Cb 0.18 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1huf h LEU 76 CO 0.01 0.00 0.55 0.25 0.09 0.00 0.00 178.44 179.34 1huf h LEU 77 N 0.10 0.52 -1.20 1.67 5.85 -0.36 0.60 115.31 122.50 1huf h LEU 77 Ca 0.12 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1huf h LEU 77 Cb 0.15 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1huf h LEU 77 CO -0.19 0.26 0.54 1.56 -0.34 0.00 0.00 178.44 180.27 1huf h GLN 78 N 0.55 1.08 0.14 1.25 1.08 -0.61 0.41 115.11 119.00 1huf h GLN 78 Ca 0.42 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1huf h GLN 78 Cb 0.82 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1huf h GLN 78 CO -0.17 0.71 -0.07 1.03 -0.95 0.00 0.00 178.83 179.39 1huf h SER 79 N 1.11 -0.16 -0.92 1.46 0.87 0.43 1.48 113.55 117.82 1huf h SER 79 Ca 0.30 -0.19 0.14 0.00 -1.23 0.00 0.00 61.79 60.81 1huf h SER 79 Cb -0.13 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 61.78 1huf h SER 79 CO -0.06 0.11 0.53 0.74 -0.53 0.00 0.00 176.83 177.61 1huf h THR 80 N -0.43 0.80 0.09 2.23 2.02 -0.76 0.26 112.91 117.11 1huf h THR 80 Ca -0.02 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1huf h THR 80 Cb 0.34 -0.04 0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1huf h THR 80 CO 0.03 0.14 -0.60 0.58 0.37 0.00 0.00 175.52 176.04 1huf h VAL 81 N 0.77 1.55 -0.16 3.16 2.07 -0.75 0.94 116.25 123.84 1huf h VAL 81 Ca 0.49 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 1huf h VAL 81 Cb 0.62 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1huf h VAL 81 CO -0.33 0.67 0.05 0.50 0.02 0.00 0.00 177.57 178.48 1huf h LYS 82 N -0.45 0.22 0.00 1.57 3.64 0.24 -2.67 116.57 119.12 1huf h LYS 82 Ca -0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1huf h LYS 82 Cb 1.43 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1huf h LYS 82 CO 0.11 0.20 -1.25 0.72 -2.27 0.00 0.00 179.45 176.97 1huf n HIS 83 N -4.45 0.00 -1.00 1.91 8.25 0.89 -4.97 115.22 115.85 1huf n HIS 83 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1huf n HIS 83 Cb 0.13 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1huf n HIS 83 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1huf n ASN 84 N -1.69 -4.07 -3.79 0.41 5.15 0.26 -4.96 115.26 106.57 1huf n ASN 84 Ca 0.02 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.87 1huf n ASN 84 Cb 0.39 -1.64 -0.14 0.00 -0.53 0.00 0.00 39.78 37.87 1huf n ASN 84 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1huf s LEU 85 N 0.00 1.19 -0.42 1.20 0.20 0.23 -4.94 118.68 116.15 1huf s LEU 85 Ca 0.00 0.26 -0.17 0.00 0.69 0.00 0.00 54.13 54.91 1huf s LEU 85 Cb 0.00 0.38 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 1huf s LEU 85 CO 0.00 -0.09 0.43 0.21 -0.29 0.00 0.00 176.35 176.61 1huf s ASN 86 N 0.54 6.19 0.01 3.68 2.47 -1.26 -3.79 114.94 122.77 1huf s ASN 86 Ca -0.04 -0.66 0.23 0.00 0.42 0.00 0.00 52.86 52.81 1huf s ASN 86 Cb -0.05 -2.22 0.04 0.00 -1.45 0.00 0.00 41.25 37.56 1huf s ASN 86 CO -0.02 -0.56 1.06 -3.20 -3.72 0.00 0.00 177.10 170.65 1huf n ASN 87 N 5.57 0.73 -4.46 -4.21 5.15 -1.26 -4.67 115.26 112.11 1huf n ASN 87 Ca -0.07 -0.58 -0.31 0.00 -0.60 0.00 0.00 54.58 53.01 1huf n ASN 87 Cb 0.47 0.78 -0.13 0.00 -0.53 0.00 0.00 39.78 40.37 1huf n ASN 87 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1huf s TYR 88 N -3.06 2.59 -0.56 1.20 2.02 -1.26 0.18 117.35 118.47 1huf s TYR 88 Ca 0.07 -0.23 -0.08 0.00 -0.37 0.00 0.00 57.07 56.46 1huf s TYR 88 Cb 0.16 -1.51 0.14 0.00 -0.40 0.00 0.00 41.96 40.35 1huf s TYR 88 CO 0.81 0.22 0.42 -0.51 -1.57 0.00 0.00 175.55 174.92 1huf s ASP 89 N -1.23 5.70 -0.17 2.29 1.01 0.57 -4.86 116.67 119.99 1huf s ASP 89 Ca 0.14 -2.28 -0.07 0.00 0.71 0.00 0.00 52.55 51.04 1huf s ASP 89 Cb -0.11 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1huf s ASP 89 CO 0.04 -0.58 0.08 -0.76 0.21 0.00 0.00 175.17 174.16 1huf s LEU 90 N 0.80 3.97 -0.24 1.23 1.43 -1.26 -0.61 118.68 124.00 1huf s LEU 90 Ca 0.11 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 1huf s LEU 90 Cb -0.22 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1huf s LEU 90 CO -0.03 0.24 0.15 -0.60 0.23 0.00 0.00 176.35 176.34 1huf s ARG 91 N 0.01 4.06 -0.21 1.70 3.52 0.12 -4.89 118.95 123.26 1huf s ARG 91 Ca 0.07 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 1huf s ARG 91 Cb -0.12 -3.52 -0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1huf s ARG 91 CO 0.00 0.06 2.18 0.43 -0.81 0.00 0.00 175.30 177.16 1huf n SER 92 N 4.28 3.18 -1.17 -2.12 7.64 -1.26 -2.10 113.62 122.07 1huf n SER 92 Ca -0.15 0.35 0.09 0.00 1.01 0.00 0.00 58.87 60.17 1huf n SER 92 Cb 0.52 -1.49 0.28 0.00 -1.01 0.00 0.00 64.21 62.50 1huf n SER 92 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1huf n VAL 93 N 7.29 1.38 0.00 0.44 3.14 -1.04 -4.98 118.33 124.56 1huf n VAL 93 Ca 0.30 -1.15 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1huf n VAL 93 Cb 0.40 0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.49 1huf n VAL 93 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1huf n GLY 94 N 0.95 -1.59 2.04 7.55 0.00 -1.25 -4.84 105.19 108.04 1huf n GLY 94 Ca 0.21 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1huf n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1huf n ASN 95 N -0.94 -1.81 0.00 1.61 3.02 -1.26 -2.76 115.26 113.12 1huf n ASN 95 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1huf n ASN 95 Cb 0.00 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 1huf n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1huf n GLY 96 N -1.31 0.49 3.93 7.41 0.00 -1.26 -4.75 105.19 109.70 1huf n GLY 96 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1huf n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1huf s ASN 97 N -2.37 3.97 0.19 1.61 0.02 -1.11 -2.80 114.94 114.44 1huf s ASN 97 Ca 0.00 0.39 -0.18 0.00 -1.02 0.00 0.00 52.86 52.05 1huf s ASN 97 Cb 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 41.25 40.59 1huf s ASN 97 CO 0.00 -2.19 0.53 -0.44 0.02 0.00 0.00 177.10 175.02 1huf s SER 98 N -4.71 -0.29 -0.03 -1.22 0.01 0.34 -2.51 113.70 105.28 1huf s SER 98 Ca 0.67 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.55 1huf s SER 98 Cb -0.07 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 1huf s SER 98 CO 0.49 -1.04 -0.17 -0.69 0.41 0.00 0.00 173.24 172.24 1huf s VAL 99 N -3.86 1.42 -0.29 3.43 1.01 -0.89 0.19 120.40 121.41 1huf s VAL 99 Ca 0.08 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1huf s VAL 99 Cb -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1huf s VAL 99 CO -0.04 0.41 0.83 -0.22 0.00 0.00 0.00 175.10 176.08 1huf s LEU 100 N -0.11 4.07 -0.08 3.92 2.96 -1.26 0.14 118.68 128.33 1huf s LEU 100 Ca -0.00 0.81 0.17 0.00 -0.22 0.00 0.00 54.13 54.88 1huf s LEU 100 Cb -0.10 -3.15 -0.25 0.00 0.50 0.00 0.00 46.19 43.18 1huf s LEU 100 CO 0.01 -0.61 0.27 1.33 -1.32 0.00 0.00 176.35 176.03 1huf n VAL 101 N 5.49 0.42 -3.59 1.68 0.24 0.22 -4.65 118.33 118.14 1huf n VAL 101 Ca 0.05 -0.52 -0.06 0.00 -2.04 0.00 0.00 64.34 61.77 1huf n VAL 101 Cb 0.48 -0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.68 1huf n VAL 101 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1huf s SER 102 N -4.42 -0.29 0.24 -1.34 1.04 -1.18 -5.00 113.70 102.75 1huf s SER 102 Ca -0.07 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.29 1huf s SER 102 Cb 0.09 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1huf s SER 102 CO 0.72 -0.68 0.28 -0.76 0.98 0.00 0.00 173.24 173.78 1huf s LEU 103 N -2.63 4.09 0.00 2.42 1.43 -1.26 -0.31 118.68 122.42 1huf s LEU 103 Ca 0.08 -0.07 0.18 0.00 -1.03 0.00 0.00 54.13 53.28 1huf s LEU 103 Cb -0.01 -2.63 0.31 0.00 0.03 0.00 0.00 46.19 43.89 1huf s LEU 103 CO -0.05 -0.05 1.23 0.54 0.23 0.00 0.00 176.35 178.25 1huf n ARG 104 N -1.25 2.12 -4.10 1.70 1.74 0.49 -4.85 116.66 112.52 1huf n ARG 104 Ca -0.08 -1.97 -0.15 0.00 -0.77 0.00 0.00 57.85 54.89 1huf n ARG 104 Cb 0.57 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.58 1huf n ARG 104 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1huf s SER 105 N -1.25 0.87 -0.34 0.55 1.04 -1.26 -4.94 113.70 108.38 1huf s SER 105 Ca 0.29 -1.46 0.09 0.00 0.48 0.00 0.00 55.95 55.34 1huf s SER 105 Cb 0.17 0.64 0.73 0.00 0.10 0.00 0.00 66.02 67.66 1huf s SER 105 CO 0.24 -1.26 1.81 0.47 0.98 0.00 0.00 173.24 175.48 1huf n ASP 106 N -1.32 4.66 -4.18 7.02 8.00 0.13 -4.94 116.55 125.92 1huf n ASP 106 Ca 0.01 -3.25 -0.17 0.00 0.71 0.00 0.00 54.79 52.10 1huf n ASP 106 Cb 0.62 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 1huf n ASP 106 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1huf s GLN 107 N -2.97 0.84 -0.20 -1.24 -0.21 -1.24 -2.52 119.66 112.12 1huf s GLN 107 Ca 0.54 -1.05 -0.10 0.00 0.02 0.00 0.00 55.36 54.78 1huf s GLN 107 Cb 0.44 -0.72 0.07 0.00 1.00 0.00 0.00 33.01 33.80 1huf s GLN 107 CO 0.13 0.14 0.46 1.41 -2.12 0.00 0.00 175.29 175.31 1huf s MET 108 N -2.18 0.43 0.57 2.91 1.75 -1.26 -4.93 119.30 116.59 1huf s MET 108 Ca 0.01 0.94 -0.18 0.00 -1.25 0.00 0.00 55.69 55.21 1huf s MET 108 Cb -0.07 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.67 1huf s MET 108 CO 0.02 -0.18 1.11 0.95 -0.65 0.00 0.00 175.02 176.27 1huf s THR 109 N 1.77 3.30 0.23 10.11 -4.23 -1.26 -1.07 115.64 124.49 1huf s THR 109 Ca -0.08 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1huf s THR 109 Cb -0.09 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.65 1huf s THR 109 CO -0.14 -0.25 1.79 -0.07 -0.54 0.00 0.00 174.62 175.41 1huf h LEU 110 N 0.84 1.02 -0.89 4.79 3.38 -0.60 -1.31 115.31 122.54 1huf h LEU 110 Ca -0.49 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.36 1huf h LEU 110 Cb 1.25 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1huf h LEU 110 CO 0.56 0.92 0.57 0.06 0.09 0.00 0.00 178.44 180.64 1huf h GLN 111 N 1.07 1.06 -0.23 1.13 3.07 -0.88 -0.64 115.11 119.68 1huf h GLN 111 Ca 0.24 -0.06 -0.14 0.00 0.09 0.00 0.00 58.65 58.78 1huf h GLN 111 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1huf h GLN 111 CO -0.02 0.70 -0.44 -0.44 0.09 0.00 0.00 178.83 178.72 1huf h ASP 112 N 1.09 0.63 -0.65 0.06 5.19 -1.71 -2.91 116.42 118.11 1huf h ASP 112 Ca 0.36 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1huf h ASP 112 Cb 0.05 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1huf h ASP 112 CO -0.13 0.98 0.32 0.00 -3.12 0.00 0.00 179.24 177.29 1huf h ALA 113 N 1.04 1.28 -0.05 3.45 0.00 -0.47 -2.31 119.26 122.20 1huf h ALA 113 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1huf h ALA 113 Cb 0.96 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1huf h ALA 113 CO 0.09 0.55 0.03 -0.22 0.00 0.00 0.00 179.25 179.70 1huf h LYS 114 N 0.96 0.08 -0.36 0.00 3.64 -0.98 0.20 116.57 120.10 1huf h LYS 114 Ca 0.23 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1huf h LYS 114 Cb 0.11 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 1huf h LYS 114 CO -0.03 0.11 -0.12 0.28 -2.27 0.00 0.00 179.45 177.42 1huf h VAL 115 N 0.02 0.58 -0.47 2.00 2.07 -1.30 0.58 116.25 119.72 1huf h VAL 115 Ca 0.02 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 1huf h VAL 115 Cb 0.05 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1huf h VAL 115 CO -0.00 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.33 1huf h LEU 116 N -0.05 0.99 -1.34 2.57 3.38 -1.07 -1.76 115.31 118.03 1huf h LEU 116 Ca 0.18 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1huf h LEU 116 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1huf h LEU 116 CO -0.39 1.15 -0.32 -0.07 0.09 0.00 0.00 178.44 178.90 1huf h LEU 117 N 0.81 0.00 -0.08 1.67 3.38 -0.26 -2.21 115.31 118.64 1huf h LEU 117 Ca 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1huf h LEU 117 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1huf h LEU 117 CO 0.06 0.32 -1.02 -0.33 0.09 0.00 0.00 178.44 177.56 1huf h GLU 118 N 0.00 0.16 -0.80 1.13 5.08 -0.36 -1.88 114.58 117.90 1huf h GLU 118 Ca -0.00 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1huf h GLU 118 Cb 0.62 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1huf h GLU 118 CO 0.04 1.05 0.48 0.00 -1.00 0.00 0.00 179.01 179.58 1huf h ALA 119 N 0.86 1.11 -0.31 3.43 0.00 -1.04 0.16 119.26 123.47 1huf h ALA 119 Ca -0.06 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1huf h ALA 119 Cb 1.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1huf h ALA 119 CO 0.15 0.18 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 1huf h ALA 120 N 1.40 1.18 -0.11 0.00 0.00 -1.18 -0.21 119.26 120.35 1huf h ALA 120 Ca 0.36 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1huf h ALA 120 Cb 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1huf h ALA 120 CO -0.19 0.52 -0.41 -0.07 0.00 0.00 0.00 179.25 179.11 1huf h LEU 121 N 0.49 0.54 -0.37 0.00 3.38 -0.55 -2.28 115.31 116.52 1huf h LEU 121 Ca 0.09 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.50 1huf h LEU 121 Cb 0.54 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1huf h LEU 121 CO 0.03 1.07 -0.42 -0.09 0.09 0.00 0.00 178.44 179.13 1huf h ARG 122 N 0.04 -0.33 -0.50 1.13 2.43 -0.34 0.79 114.38 117.60 1huf h ARG 122 Ca -0.02 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1huf h ARG 122 Cb 1.04 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 1huf h ARG 122 CO 0.09 -0.22 0.18 0.37 -1.51 0.00 0.00 179.97 178.88 1huf h GLN 123 N -0.34 0.35 -0.65 0.20 4.15 -1.02 0.29 115.11 118.08 1huf h GLN 123 Ca 0.13 -0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.67 1huf h GLN 123 Cb 0.59 -0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.09 1huf h GLN 123 CO -0.55 0.23 0.02 0.93 -1.93 0.00 0.00 178.83 177.53 1huf h GLU 124 N 0.36 0.12 -0.02 1.69 5.08 -0.55 -3.52 114.58 117.75 1huf h GLU 124 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1huf h GLU 124 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1huf h GLU 124 CO -0.24 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 176.72