#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bye n GLU 2 N 0.00 -4.50 -1.54 1.61 -0.58 -1.26 -4.51 120.64 109.85 2bye n GLU 2 Ca 0.00 0.74 -0.19 0.00 -0.42 0.00 0.00 57.16 57.29 2bye n GLU 2 Cb 0.00 -5.46 -0.10 0.00 -0.57 0.00 0.00 31.44 25.31 2bye n GLU 2 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2bye n GLU 3 N -3.97 0.49 0.00 3.49 -0.58 -1.26 -4.26 120.64 114.55 2bye n GLU 3 Ca -0.22 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 2bye n GLU 3 Cb 0.65 -3.05 0.00 0.00 -0.57 0.00 0.00 31.44 28.48 2bye n GLU 3 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2bye n ARG 4 N 8.17 0.00 -1.98 3.49 1.74 -1.26 -5.01 116.66 121.80 2bye n ARG 4 Ca 0.51 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.56 2bye n ARG 4 Cb 0.37 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.85 2bye n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2bye n LYS 5 N -2.24 0.79 -3.19 5.56 4.81 -1.26 -5.03 118.16 117.60 2bye n LYS 5 Ca 0.00 -1.55 0.01 0.00 -0.87 0.00 0.00 58.31 55.91 2bye n LYS 5 Cb 0.00 0.12 -0.02 0.00 0.02 0.00 0.00 35.03 35.15 2bye n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bye n LEU 7 N 5.41 -3.62 -4.63 0.00 4.77 -1.26 -4.59 117.00 113.08 2bye n LEU 7 Ca -0.00 -0.80 -0.43 0.00 -0.03 0.00 0.00 56.01 54.75 2bye n LEU 7 Cb 0.51 -2.78 -0.03 0.00 -2.33 0.00 0.00 43.42 38.80 2bye n LEU 7 CO 0.02 0.36 1.65 -1.10 -1.33 0.00 0.00 177.39 176.99 2bye s GLN 8 N -5.63 3.71 -0.56 3.23 1.11 -1.26 -0.98 119.66 119.28 2bye s GLN 8 Ca 0.15 2.22 -0.09 0.00 0.01 0.00 0.00 55.36 57.66 2bye s GLN 8 Cb -0.04 -4.21 0.14 0.00 -1.01 0.00 0.00 33.01 27.89 2bye s GLN 8 CO 0.80 -1.43 0.44 0.95 0.01 0.00 0.00 175.29 176.05 2bye s THR 9 N 5.99 4.35 -0.03 -0.19 -4.23 -1.26 -0.99 115.64 119.28 2bye s THR 9 Ca 0.90 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2bye s THR 9 Cb -0.36 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 2bye s THR 9 CO 0.37 -0.84 -0.10 -1.00 -0.54 0.00 0.00 174.62 172.51 2bye s HIS 10 N 0.88 2.82 0.07 3.99 3.76 -1.24 -4.64 115.29 120.93 2bye s HIS 10 Ca 0.10 -0.07 -0.16 0.00 -0.15 0.00 0.00 55.06 54.77 2bye s HIS 10 Cb -0.22 -1.63 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 2bye s HIS 10 CO -0.03 0.30 0.50 0.50 -0.85 0.00 0.00 174.74 175.16 2bye s ARG 11 N -1.05 4.03 -0.14 1.40 3.52 -1.26 -0.27 118.95 125.18 2bye s ARG 11 Ca 0.14 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 2bye s ARG 11 Cb -0.11 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2bye s ARG 11 CO 0.04 0.61 -0.15 0.54 -0.81 0.00 0.00 175.30 175.53 2bye s VAL 12 N -1.20 1.58 -0.12 7.11 0.11 -0.40 -4.90 120.40 122.58 2bye s VAL 12 Ca 0.30 -0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 2bye s VAL 12 Cb -0.17 -1.47 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2bye s VAL 12 CO 0.17 0.46 1.21 -0.89 -3.33 0.00 0.00 175.10 172.72 2bye s THR 13 N 1.35 4.31 -0.18 5.04 2.01 -1.26 -2.32 115.64 124.58 2bye s THR 13 Ca 0.02 1.61 -0.06 0.00 0.31 0.00 0.00 61.69 63.57 2bye s THR 13 Cb -0.13 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2bye s THR 13 CO -0.08 -0.08 0.03 -0.69 -0.69 0.00 0.00 174.62 173.11 2bye s VAL 14 N 2.87 4.40 -2.38 3.82 1.01 0.92 -4.64 120.40 126.40 2bye s VAL 14 Ca 0.54 -0.17 0.20 0.00 0.00 0.00 0.00 61.98 62.56 2bye s VAL 14 Cb -0.22 -2.98 0.25 0.00 0.00 0.00 0.00 36.38 33.43 2bye s VAL 14 CO 0.17 0.46 1.22 1.41 0.00 0.00 0.00 175.10 178.36 2bye n HIS 15 N 3.73 0.18 -1.71 5.22 8.25 0.34 -1.48 115.22 129.75 2bye n HIS 15 Ca -0.17 -0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.25 2bye n HIS 15 Cb 0.52 -0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.78 2bye n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bye n GLY 16 N 1.20 4.08 3.61 -1.41 0.00 -1.24 -4.69 105.19 106.75 2bye n GLY 16 Ca 0.14 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 2bye n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bye n VAL 17 N -0.80 1.27 0.22 1.61 0.24 -1.26 -3.85 118.33 115.76 2bye n VAL 17 Ca 0.15 -0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.37 2bye n VAL 17 Cb 0.77 -1.00 0.31 0.00 -1.47 0.00 0.00 33.84 32.45 2bye n VAL 17 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2bye h PRO 18 N -1.14 0.00 -7.10 7.34 0.13 -1.91 -3.46 132.00 125.86 2bye h PRO 18 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 2bye h PRO 18 Cb 1.30 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.64 2bye h PRO 18 CO 0.42 0.15 -0.09 0.41 -0.23 0.00 0.00 178.00 178.67 2bye n GLY 19 N 0.69 -1.64 0.17 1.56 0.00 -1.26 -4.93 105.19 99.79 2bye n GLY 19 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.06 2bye n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bye h PRO 20 N -2.37 0.00 -7.18 1.61 0.13 -2.02 -3.45 132.00 118.71 2bye h PRO 20 Ca -0.55 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.04 2bye h PRO 20 Cb 1.32 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.61 2bye h PRO 20 CO 0.45 0.47 0.38 -1.21 -0.23 0.00 0.00 178.00 177.86 2bye s GLU 21 N -3.82 1.96 0.06 0.86 2.02 -1.26 -4.94 118.70 113.58 2bye s GLU 21 Ca -0.02 1.79 -0.06 0.00 0.02 0.00 0.00 54.97 56.70 2bye s GLU 21 Cb 0.13 -1.81 -0.30 0.00 0.10 0.00 0.00 34.13 32.25 2bye s GLU 21 CO 0.73 -1.98 1.08 -1.35 0.02 0.00 0.00 175.26 173.76 2bye h PRO 22 N -0.48 0.32 -2.89 0.39 0.11 -1.93 -3.44 132.00 124.07 2bye h PRO 22 Ca -0.47 -0.55 -0.16 0.00 0.11 0.00 0.00 66.00 64.92 2bye h PRO 22 Cb 1.30 0.21 -0.28 0.00 0.11 0.00 0.00 31.00 32.34 2bye h PRO 22 CO 0.48 1.25 -0.40 -0.59 -0.21 0.00 0.00 178.00 178.54 2bye s PHE 23 N -2.64 -0.42 0.05 0.65 -0.71 -1.26 -4.34 117.98 109.31 2bye s PHE 23 Ca -0.05 0.96 -0.09 0.00 -1.04 0.00 0.00 56.93 56.70 2bye s PHE 23 Cb 0.06 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 2bye s PHE 23 CO 0.89 -0.26 0.19 -0.08 -1.34 0.00 0.00 175.22 174.63 2bye s THR 24 N 1.12 0.12 -0.11 -4.49 -1.32 -0.55 -4.95 115.64 105.45 2bye s THR 24 Ca -0.08 -0.96 0.03 0.00 -1.21 0.00 0.00 61.69 59.47 2bye s THR 24 Cb -0.08 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2bye s THR 24 CO -0.08 -0.53 -0.23 -0.69 -2.21 0.00 0.00 174.62 170.88 2bye s VAL 25 N -2.89 2.13 0.01 5.08 1.01 -1.26 -0.06 120.40 124.41 2bye s VAL 25 Ca -0.03 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2bye s VAL 25 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2bye s VAL 25 CO -0.06 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.10 2bye s PHE 26 N 0.49 2.70 0.22 5.22 0.40 -0.98 -4.82 117.98 121.21 2bye s PHE 26 Ca -0.15 -0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 55.76 2bye s PHE 26 Cb -0.17 -1.55 -0.09 0.00 0.51 0.00 0.00 43.02 41.72 2bye s PHE 26 CO 0.05 0.27 0.85 0.99 0.70 0.00 0.00 175.22 178.09 2bye s THR 27 N -0.90 4.27 0.18 0.64 2.01 -1.26 -1.27 115.64 119.31 2bye s THR 27 Ca 0.15 1.79 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2bye s THR 27 Cb -0.11 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2bye s THR 27 CO 0.05 0.42 0.15 2.30 -0.69 0.00 0.00 174.62 176.84 2bye n ILE 28 N 1.29 0.00 -3.65 1.82 -5.35 0.63 -4.91 119.36 109.19 2bye n ILE 28 Ca -0.03 -0.69 -0.13 0.00 -0.27 0.00 0.00 62.75 61.63 2bye n ILE 28 Cb 0.49 -0.42 -0.08 0.00 -1.74 0.00 0.00 39.64 37.89 2bye n ILE 28 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2bye s ASN 29 N -2.06 -0.71 0.80 7.28 2.20 -1.24 -3.59 114.94 117.62 2bye s ASN 29 Ca 0.11 1.34 0.00 0.00 -0.94 0.00 0.00 52.86 53.37 2bye s ASN 29 Cb -0.01 1.34 0.00 0.00 -2.00 0.00 0.00 41.25 40.58 2bye s ASN 29 CO 0.07 -0.23 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 2bye n GLY 30 N 2.92 1.69 3.20 0.45 0.00 -0.16 -3.80 105.19 109.48 2bye n GLY 30 Ca -0.15 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 2bye n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bye n GLY 31 N 0.00 4.56 3.72 -0.02 0.00 -1.26 -4.57 105.19 107.61 2bye n GLY 31 Ca 0.00 -2.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.05 2bye n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bye s THR 32 N -1.59 3.66 1.04 2.61 -4.23 -1.25 -5.04 115.64 110.83 2bye s THR 32 Ca 0.32 1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.90 2bye s THR 32 Cb -0.03 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 70.24 2bye s THR 32 CO 0.00 0.11 1.12 -0.54 -0.54 0.00 0.00 174.62 174.77 2bye s LYS 33 N 0.90 0.11 0.54 3.99 3.01 -1.26 -4.56 119.74 122.47 2bye s LYS 33 Ca 0.60 0.25 0.32 0.00 -1.01 0.00 0.00 55.97 56.13 2bye s LYS 33 Cb -0.33 -1.72 1.33 0.00 -1.01 0.00 0.00 37.83 36.10 2bye s LYS 33 CO 0.31 -2.89 1.97 0.00 0.51 0.00 0.00 175.35 175.25 2bye h ALA 34 N -2.00 1.01 0.02 5.17 0.00 -1.77 -0.17 119.26 121.52 2bye h ALA 34 Ca -0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2bye h ALA 34 Cb 1.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2bye h ALA 34 CO 0.52 0.05 -0.24 1.57 0.00 0.00 0.00 179.25 181.14 2bye h LYS 35 N 0.00 0.04 0.00 0.00 2.10 -1.90 0.22 116.57 117.02 2bye h LYS 35 Ca -0.00 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2bye h LYS 35 Cb 0.53 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2bye h LYS 35 CO 0.00 1.03 -0.05 1.96 -2.00 0.00 0.00 179.45 180.40 2bye h GLN 36 N -0.92 0.00 0.17 0.07 1.08 -1.89 -2.51 115.11 111.11 2bye h GLN 36 Ca -0.05 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.81 2bye h GLN 36 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2bye h GLN 36 CO -0.00 0.05 -1.67 1.25 -0.95 0.00 0.00 178.83 177.51 2bye h LEU 37 N 0.00 0.55 -1.24 1.46 7.12 -1.00 -2.75 115.31 119.45 2bye h LEU 37 Ca -0.00 -0.80 0.21 0.00 0.13 0.00 0.00 57.88 57.42 2bye h LEU 37 Cb 0.15 -0.18 -0.09 0.00 -0.53 0.00 0.00 40.66 40.01 2bye h LEU 37 CO 0.01 1.67 0.62 0.25 -0.13 0.00 0.00 178.44 180.85 2bye h LEU 38 N 0.10 0.59 0.15 2.25 6.46 -0.13 0.57 115.31 125.30 2bye h LEU 38 Ca -0.31 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.54 2bye h LEU 38 Cb 2.08 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.94 2bye h LEU 38 CO 0.18 0.20 -0.34 -0.61 -0.62 0.00 0.00 178.44 177.25 2bye h GLN 39 N 0.57 -0.57 -0.31 1.25 4.15 -1.51 0.06 115.11 118.76 2bye h GLN 39 Ca 0.55 0.04 0.09 0.00 0.77 0.00 0.00 58.65 60.09 2bye h GLN 39 Cb 1.11 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 2bye h GLN 39 CO -0.30 -0.38 0.27 1.96 -1.93 0.00 0.00 178.83 178.45 2bye h GLN 40 N -0.59 0.00 0.00 1.69 1.08 0.27 0.86 115.11 118.41 2bye h GLN 40 Ca 0.02 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 2bye h GLN 40 Cb 0.61 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2bye h GLN 40 CO -0.18 0.00 -0.62 0.82 -0.95 0.00 0.00 178.83 177.90 2bye h ILE 41 N 0.00 1.16 0.01 2.54 1.08 0.34 -3.34 117.51 119.29 2bye h ILE 41 Ca 0.15 -2.38 -0.35 0.00 -0.39 0.00 0.00 64.86 61.88 2bye h ILE 41 Cb 0.68 2.40 -0.06 0.00 -3.07 0.00 0.00 36.82 36.78 2bye h ILE 41 CO -0.00 0.61 -2.16 0.18 -0.69 0.00 0.00 178.15 176.08 2bye n LEU 42 N -3.38 1.06 -4.51 1.44 4.77 0.13 -4.90 117.00 111.61 2bye n LEU 42 Ca 0.01 0.12 -0.53 0.00 -0.03 0.00 0.00 56.01 55.57 2bye n LEU 42 Cb 0.73 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2bye n LEU 42 CO 0.42 0.58 1.65 1.07 -1.33 0.00 0.00 177.39 179.78 2bye n THR 43 N -3.01 0.23 0.80 -5.08 5.66 0.25 -4.66 114.28 108.47 2bye n THR 43 Ca -0.30 -0.17 0.13 0.00 -3.05 0.00 0.00 64.05 60.66 2bye n THR 43 Cb 1.09 -1.43 0.45 0.00 -1.55 0.00 0.00 70.33 68.89 2bye n THR 43 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2bye n ASN 44 N 8.25 0.46 0.00 1.09 5.03 -0.94 -4.92 115.26 124.22 2bye n ASN 44 Ca 0.38 0.44 0.00 0.00 0.87 0.00 0.00 54.58 56.26 2bye n ASN 44 Cb 0.18 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 2bye n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bye n GLU 45 N -1.89 -0.50 0.00 3.52 1.02 -1.22 -4.83 120.64 116.73 2bye n GLU 45 Ca 0.06 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2bye n GLU 45 Cb 0.39 -3.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 2bye n GLU 45 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bye n GLN 46 N -1.42 0.00 -0.22 3.49 6.02 -1.26 -4.14 117.38 119.85 2bye n GLN 46 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2bye n GLN 46 Cb 0.12 -0.10 0.12 0.00 1.02 0.00 0.00 30.24 31.40 2bye n GLN 46 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2bye n ASP 47 N 0.00 2.03 0.00 1.08 2.03 -1.26 -4.89 116.55 115.54 2bye n ASP 47 Ca 0.00 -2.19 0.00 0.00 0.52 0.00 0.00 54.79 53.12 2bye n ASP 47 Cb 0.00 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2bye n ASP 47 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2bye n ILE 48 N 0.18 0.00 -2.85 5.18 5.41 -1.26 -4.90 119.36 121.12 2bye n ILE 48 Ca 0.08 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.40 2bye n ILE 48 Cb 0.42 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.31 2bye n ILE 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2bye s LYS 49 N 0.00 3.45 0.00 0.38 -2.85 -1.26 -2.22 119.74 117.24 2bye s LYS 49 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2bye s LYS 49 Cb 0.00 -3.96 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 2bye s LYS 49 CO 0.00 -1.28 0.00 -2.30 0.10 0.00 0.00 175.35 171.87 2bye n PRO 50 N 7.16 2.60 -2.13 1.78 -0.02 -1.26 -4.84 135.00 138.29 2bye n PRO 50 Ca 0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 2bye n PRO 50 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2bye n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bye n VAL 51 N 0.00 4.97 -2.21 -1.45 0.31 -1.26 -4.95 118.33 113.74 2bye n VAL 51 Ca 0.00 -4.40 -0.39 0.00 -0.01 0.00 0.00 64.34 59.55 2bye n VAL 51 Cb 0.00 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 30.74 2bye n VAL 51 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2bye s THR 52 N -0.73 3.48 0.00 2.52 -4.23 -1.26 -4.89 115.64 110.54 2bye s THR 52 Ca 0.49 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2bye s THR 52 Cb 0.15 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.72 2bye s THR 52 CO -0.06 -1.23 0.00 1.07 -0.54 0.00 0.00 174.62 173.86 2bye n THR 53 N 6.99 0.00 0.26 3.99 5.66 -1.26 -4.96 114.28 124.96 2bye n THR 53 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2bye n THR 53 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2bye n THR 53 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2bye n ASP 54 N 0.00 0.03 -4.76 1.09 9.92 -1.26 -4.80 116.55 116.77 2bye n ASP 54 Ca 0.00 -0.29 -0.38 0.00 -0.53 0.00 0.00 54.79 53.59 2bye n ASP 54 Cb 0.00 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2bye n ASP 54 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2bye s TYR 55 N -1.78 2.66 0.35 1.24 2.02 -1.26 -0.96 117.35 119.61 2bye s TYR 55 Ca 0.00 1.47 -0.12 0.00 -0.37 0.00 0.00 57.07 58.05 2bye s TYR 55 Cb 0.00 -3.54 0.03 0.00 -0.40 0.00 0.00 41.96 38.05 2bye s TYR 55 CO 0.00 -2.03 0.67 -0.59 -1.57 0.00 0.00 175.55 172.03 2bye s PHE 56 N -1.45 0.36 0.35 2.71 -0.71 -0.81 -4.91 117.98 113.52 2bye s PHE 56 Ca 0.66 -0.87 0.07 0.00 -1.04 0.00 0.00 56.93 55.75 2bye s PHE 56 Cb -0.33 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.99 2bye s PHE 56 CO 0.40 -1.38 0.41 -0.51 -1.34 0.00 0.00 175.22 172.80 2bye s LEU 57 N -3.10 3.78 0.11 -1.99 1.02 -1.26 0.33 118.68 117.58 2bye s LEU 57 Ca 0.20 -0.35 -0.25 0.00 0.02 0.00 0.00 54.13 53.75 2bye s LEU 57 Cb -0.04 -2.51 0.07 0.00 0.02 0.00 0.00 46.19 43.73 2bye s LEU 57 CO 0.13 -0.45 0.64 -0.04 0.02 0.00 0.00 176.35 176.65 2bye s MET 58 N -4.12 1.21 -0.19 1.70 -1.94 -0.35 0.42 119.30 116.03 2bye s MET 58 Ca 0.45 -0.31 -0.12 0.00 -1.71 0.00 0.00 55.69 53.99 2bye s MET 58 Cb -0.08 0.56 -0.05 0.00 2.01 0.00 0.00 34.83 37.27 2bye s MET 58 CO 0.29 -0.50 0.23 -1.21 -0.01 0.00 0.00 175.02 173.83 2bye s GLU 59 N -3.20 4.21 -0.39 2.03 2.02 -0.61 -0.27 118.70 122.49 2bye s GLU 59 Ca -0.01 -0.04 -0.18 0.00 0.02 0.00 0.00 54.97 54.76 2bye s GLU 59 Cb -0.01 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.79 2bye s GLU 59 CO -0.08 0.22 0.47 -1.21 0.02 0.00 0.00 175.26 174.68 2bye s GLU 60 N 0.56 3.34 -0.32 1.61 0.41 0.08 -4.00 118.70 120.38 2bye s GLU 60 Ca 0.13 -0.49 -0.22 0.00 -0.41 0.00 0.00 54.97 53.99 2bye s GLU 60 Cb -0.12 -3.89 -0.00 0.00 -1.78 0.00 0.00 34.13 28.33 2bye s GLU 60 CO 0.02 -0.76 0.70 0.15 -0.49 0.00 0.00 175.26 174.88 2bye s LYS 61 N 2.28 3.87 0.17 1.61 3.01 -1.26 -3.39 119.74 126.04 2bye s LYS 61 Ca 0.15 0.36 -0.25 0.00 -1.01 0.00 0.00 55.97 55.23 2bye s LYS 61 Cb -0.16 -3.75 -0.08 0.00 -1.01 0.00 0.00 37.83 32.83 2bye s LYS 61 CO 0.14 -0.66 0.77 -0.47 0.51 0.00 0.00 175.35 175.64 2bye s TYR 62 N 2.79 3.87 -0.77 3.18 5.04 -1.26 -4.88 117.35 125.33 2bye s TYR 62 Ca 0.28 1.60 -0.26 0.00 -2.44 0.00 0.00 57.07 56.25 2bye s TYR 62 Cb -0.14 -2.75 0.01 0.00 0.35 0.00 0.00 41.96 39.44 2bye s TYR 62 CO 0.13 0.49 1.51 0.12 -1.34 0.00 0.00 175.55 176.46 2bye s PHE 63 N -1.20 2.13 -0.06 4.97 5.36 -1.26 -4.62 117.98 123.30 2bye s PHE 63 Ca 0.36 0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.50 2bye s PHE 63 Cb -0.22 -4.46 0.14 0.00 -0.34 0.00 0.00 43.02 38.14 2bye s PHE 63 CO 0.25 -2.08 1.03 -0.89 -1.46 0.00 0.00 175.22 172.07 2bye n ILE 64 N 6.79 1.15 -1.96 3.12 5.41 -1.26 -5.07 119.36 127.55 2bye n ILE 64 Ca 0.15 -1.33 -0.42 0.00 1.00 0.00 0.00 62.75 62.15 2bye n ILE 64 Cb 0.50 0.19 -0.03 0.00 -0.71 0.00 0.00 39.64 39.59 2bye n ILE 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2bye s SER 65 N -1.82 6.61 -0.00 4.38 0.01 -1.26 -4.90 113.70 116.72 2bye s SER 65 Ca 0.16 2.62 0.01 0.00 1.31 0.00 0.00 55.95 60.05 2bye s SER 65 Cb 0.14 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2bye s SER 65 CO 0.01 -0.79 0.06 0.29 0.41 0.00 0.00 173.24 173.22 2bye n LYS 66 N 3.60 6.34 0.00 12.44 5.02 -1.26 -4.95 118.16 139.36 2bye n LYS 66 Ca 0.12 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2bye n LYS 66 Cb 0.39 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 2bye n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2bye n GLU 67 N -1.05 0.00 0.00 1.97 -0.58 -1.26 -4.84 120.64 114.88 2bye n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2bye n GLU 67 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 2bye n GLU 67 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2bye n LYS 68 N -0.91 0.00 -3.35 3.49 4.76 -1.26 -4.46 118.16 116.43 2bye n LYS 68 Ca 0.00 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 54.98 2bye n LYS 68 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2bye n LYS 68 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2bye s ASN 69 N -2.52 6.97 -0.26 4.39 3.84 -1.26 -4.73 114.94 121.37 2bye s ASN 69 Ca 0.00 -3.11 -0.23 0.00 0.21 0.00 0.00 52.86 49.73 2bye s ASN 69 Cb 0.00 -2.20 0.04 0.00 -0.55 0.00 0.00 41.25 38.54 2bye s ASN 69 CO 0.00 -0.44 0.39 1.21 -2.79 0.00 0.00 177.10 175.47 2bye n GLU 70 N 3.38 -1.18 -3.99 0.43 2.13 -1.26 -5.02 120.64 115.12 2bye n GLU 70 Ca 0.18 1.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.91 2bye n GLU 70 Cb 0.43 -1.38 -0.11 0.00 0.27 0.00 0.00 31.44 30.66 2bye n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2bye s ARG 72 N -1.97 2.09 -0.89 0.00 6.06 -1.26 -4.57 118.95 118.40 2bye s ARG 72 Ca -0.11 -1.74 -0.24 0.00 -2.50 0.00 0.00 55.73 51.14 2bye s ARG 72 Cb -0.06 -3.56 -0.01 0.00 0.06 0.00 0.00 34.95 31.39 2bye s ARG 72 CO -0.03 -1.02 1.72 0.21 -2.50 0.00 0.00 175.30 173.69 2bye s LYS 73 N 1.17 2.95 -0.30 5.12 2.36 -1.26 -4.75 119.74 125.04 2bye s LYS 73 Ca 0.06 -0.45 -0.15 0.00 -2.55 0.00 0.00 55.97 52.89 2bye s LYS 73 Cb -0.22 -5.00 0.16 0.00 -1.05 0.00 0.00 37.83 31.71 2bye s LYS 73 CO -0.03 -2.82 0.95 -1.14 1.55 0.00 0.00 175.35 173.86 2bye s GLN 74 N 6.25 0.34 -1.54 4.03 0.74 -1.26 -5.05 119.66 123.17 2bye s GLN 74 Ca 0.59 0.78 -0.10 0.00 0.05 0.00 0.00 55.36 56.69 2bye s GLN 74 Cb -0.05 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 2bye s GLN 74 CO 0.00 -0.11 2.73 -0.35 -0.55 0.00 0.00 175.29 177.02 2bye n PRO 75 N 4.76 3.74 -2.39 1.67 -0.05 -1.26 -4.93 135.00 136.54 2bye n PRO 75 Ca -0.11 -2.51 -0.41 0.00 -0.05 0.00 0.00 63.50 60.41 2bye n PRO 75 Cb 0.53 -2.84 -0.03 0.00 -0.05 0.00 0.00 33.50 31.11 2bye n PRO 75 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 2bye s PHE 76 N 1.69 2.25 -0.30 0.54 -0.71 -1.26 -4.95 117.98 115.23 2bye s PHE 76 Ca 0.63 0.43 -0.18 0.00 -1.04 0.00 0.00 56.93 56.77 2bye s PHE 76 Cb 0.17 -4.40 -0.02 0.00 -1.21 0.00 0.00 43.02 37.57 2bye s PHE 76 CO -0.07 -2.01 0.53 -0.65 -1.34 0.00 0.00 175.22 171.68 2bye s GLN 77 N 5.63 3.86 -0.17 1.99 -1.52 -1.26 -4.66 119.66 123.53 2bye s GLN 77 Ca 0.51 0.11 -0.06 0.00 -1.95 0.00 0.00 55.36 53.97 2bye s GLN 77 Cb -0.11 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 2bye s GLN 77 CO 0.24 -0.50 0.03 -0.98 -0.25 0.00 0.00 175.29 173.82 2bye s ARG 78 N 2.39 3.85 0.08 2.91 1.70 -1.26 -5.00 118.95 123.62 2bye s ARG 78 Ca 0.21 -0.40 -0.13 0.00 -0.47 0.00 0.00 55.73 54.93 2bye s ARG 78 Cb -0.15 -3.10 -0.06 0.00 -0.57 0.00 0.00 34.95 31.06 2bye s ARG 78 CO 0.11 0.28 0.47 0.00 -1.08 0.00 0.00 175.30 175.08 2bye s ALA 79 N 0.32 3.66 -0.22 7.88 0.00 -1.26 -1.58 121.76 130.55 2bye s ALA 79 Ca 0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2bye s ALA 79 Cb -0.13 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 2bye s ALA 79 CO 0.01 0.49 1.23 0.42 0.00 0.00 0.00 175.76 177.91 2bye s ILE 80 N -1.31 4.31 0.08 0.00 -1.09 0.17 -4.93 121.20 118.43 2bye s ILE 80 Ca 0.32 1.55 -0.16 0.00 -2.23 0.00 0.00 60.65 60.14 2bye s ILE 80 Cb -0.15 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.54 2bye s ILE 80 CO 0.17 -0.27 0.51 -0.83 -1.23 0.00 0.00 174.94 173.29 2bye s GLY 81 N 2.08 2.52 0.49 6.18 0.00 -1.26 -4.09 107.32 113.24 2bye s GLY 81 Ca 0.53 -0.12 0.24 0.00 0.00 0.00 0.00 44.72 45.37 2bye s GLY 81 CO 0.16 0.22 1.92 -2.55 0.00 0.00 0.00 173.10 172.84 2bye h PRO 82 N 4.17 0.15 -0.59 2.90 0.11 -1.96 0.15 132.00 136.93 2bye h PRO 82 Ca -0.50 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2bye h PRO 82 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2bye h PRO 82 CO 0.64 0.10 -0.01 0.93 -0.21 0.00 0.00 178.00 179.45 2bye h GLU 83 N 0.15 1.04 -6.39 1.05 4.39 -1.98 -3.29 114.58 109.56 2bye h GLU 83 Ca 0.38 -0.33 -0.54 0.00 0.34 0.00 0.00 59.36 59.21 2bye h GLU 83 Cb 1.26 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.74 2bye h GLU 83 CO -0.06 1.02 1.08 -1.21 -1.16 0.00 0.00 179.01 178.68 2bye s GLU 84 N -5.00 3.24 0.16 2.33 2.02 0.52 -4.90 118.70 117.07 2bye s GLU 84 Ca -0.11 0.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.81 2bye s GLU 84 Cb 0.14 -4.15 -0.08 0.00 0.10 0.00 0.00 34.13 30.14 2bye s GLU 84 CO 0.85 -2.04 0.70 -1.21 0.02 0.00 0.00 175.26 173.59 2bye s GLU 85 N 5.62 4.37 0.46 1.61 2.02 -1.26 -4.41 118.70 127.11 2bye s GLU 85 Ca 0.45 0.95 0.12 0.00 0.02 0.00 0.00 54.97 56.51 2bye s GLU 85 Cb -0.09 -3.14 1.06 0.00 0.10 0.00 0.00 34.13 32.06 2bye s GLU 85 CO 0.21 0.54 2.07 -0.84 0.02 0.00 0.00 175.26 177.25 2bye h ILE 86 N 3.19 1.07 0.00 -1.63 3.07 -1.87 0.72 117.51 122.06 2bye h ILE 86 Ca -0.48 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2bye h ILE 86 Cb 1.20 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2bye h ILE 86 CO 0.65 0.09 0.00 0.24 -1.05 0.00 0.00 178.15 178.08 2bye h MET 87 N 0.18 0.00 0.00 0.16 2.86 -1.93 0.16 114.93 116.36 2bye h MET 87 Ca 0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 2bye h MET 87 Cb 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2bye h MET 87 CO -0.00 0.00 -0.93 1.96 1.06 0.00 0.00 176.91 179.00 2bye h GLN 88 N 0.00 0.36 0.05 1.72 4.20 -1.24 -2.17 115.11 118.03 2bye h GLN 88 Ca 0.00 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 2bye h GLN 88 Cb 0.56 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2bye h GLN 88 CO 0.00 1.07 -0.02 0.82 -0.67 0.00 0.00 178.83 180.03 2bye h ILE 89 N 0.20 1.25 -0.19 2.54 1.08 -0.93 -2.75 117.51 118.71 2bye h ILE 89 Ca -0.07 -1.03 -0.09 0.00 -0.39 0.00 0.00 64.86 63.28 2bye h ILE 89 Cb 1.56 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.22 2bye h ILE 89 CO 0.16 0.26 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.53 2bye h LEU 90 N -0.53 0.37 -1.03 1.44 3.38 -0.80 -0.69 115.31 117.44 2bye h LEU 90 Ca -0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2bye h LEU 90 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2bye h LEU 90 CO 0.01 0.64 -0.31 0.28 0.09 0.00 0.00 178.44 179.15 2bye h SER 91 N 0.32 0.00 0.30 -0.43 0.02 -1.45 -2.99 113.55 109.32 2bye h SER 91 Ca 0.05 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.70 2bye h SER 91 Cb 0.65 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2bye h SER 91 CO 0.05 0.31 -1.30 0.28 -1.14 0.00 0.00 176.83 175.03 2bye h SER 92 N 0.00 0.74 0.00 3.07 0.02 -1.01 -3.47 113.55 112.91 2bye h SER 92 Ca -0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2bye h SER 92 Cb 0.82 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2bye h SER 92 CO 0.04 1.56 0.00 1.87 -1.14 0.00 0.00 176.83 179.16 2bye n TRP 93 N -3.71 0.00 -2.37 3.45 -0.00 -0.35 -4.87 117.44 109.59 2bye n TRP 93 Ca -0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 56.94 2bye n TRP 93 Cb 1.02 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 32.31 2bye n TRP 93 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 2bye s PHE 94 N 0.00 2.68 0.00 5.87 0.08 -1.26 -5.00 117.98 120.35 2bye s PHE 94 Ca 0.00 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.92 2bye s PHE 94 Cb 0.00 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 2bye s PHE 94 CO 0.00 -1.97 0.00 -0.35 -0.10 0.00 0.00 175.22 172.80 2bye n PRO 95 N 6.91 1.18 0.06 0.24 -0.04 -1.26 -5.02 135.00 137.06 2bye n PRO 95 Ca 0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 2bye n PRO 95 Cb 0.45 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.78 2bye n PRO 95 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bye h GLU 96 N 0.00 0.06 0.00 0.54 3.07 -1.96 -3.47 114.58 112.82 2bye h GLU 96 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2bye h GLU 96 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2bye h GLU 96 CO 0.00 0.99 0.00 0.39 -1.40 0.00 0.00 179.01 178.99 2bye n GLU 97 N -3.36 2.03 0.00 2.33 -0.58 -1.26 -5.09 120.64 114.71 2bye n GLU 97 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2bye n GLU 97 Cb 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.84 2bye n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bye n GLY 98 N 3.96 -2.57 0.32 0.62 0.00 -1.26 -4.77 105.19 101.50 2bye n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bye n GLY 98 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2bye n TYR 99 N -0.33 0.00 -2.83 1.61 4.11 -1.26 -4.86 117.16 113.60 2bye n TYR 99 Ca 0.00 -0.02 -0.44 0.00 -0.00 0.00 0.00 57.90 57.45 2bye n TYR 99 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.34 39.30 2bye n TYR 99 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2bye s MET 100 N -0.04 3.99 -0.25 -3.48 -1.94 -1.26 -4.88 119.30 111.43 2bye s MET 100 Ca 0.00 -2.27 -0.26 0.00 -1.71 0.00 0.00 55.69 51.46 2bye s MET 100 Cb 0.00 -5.19 0.10 0.00 2.01 0.00 0.00 34.83 31.75 2bye s MET 100 CO 0.00 -1.92 0.87 0.20 -0.01 0.00 0.00 175.02 174.16 2bye s GLY 101 N 3.39 -0.35 -0.13 -0.03 0.00 -1.24 -4.18 107.32 104.78 2bye s GLY 101 Ca 0.45 2.27 -0.30 0.00 0.00 0.00 0.00 44.72 47.13 2bye s GLY 101 CO 0.01 1.68 0.94 1.09 0.00 0.00 0.00 173.10 176.82 2bye s ARG 102 N 0.10 0.68 -0.10 2.90 3.03 -1.22 -4.91 118.95 119.43 2bye s ARG 102 Ca 0.00 0.13 -0.25 0.00 2.03 0.00 0.00 55.73 57.64 2bye s ARG 102 Cb -0.04 0.32 -0.03 0.00 -1.03 0.00 0.00 34.95 34.17 2bye s ARG 102 CO -0.01 -0.22 0.81 0.42 -1.13 0.00 0.00 175.30 175.16 2bye s ILE 103 N -1.28 4.94 -0.20 4.99 1.01 -1.24 -0.74 121.20 128.68 2bye s ILE 103 Ca -0.03 1.63 -0.03 0.00 0.00 0.00 0.00 60.65 62.23 2bye s ILE 103 Cb -0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2bye s ILE 103 CO 0.02 0.13 -0.08 0.68 0.00 0.00 0.00 174.94 175.70 2bye s VAL 104 N 1.45 3.14 -0.47 2.92 -7.23 0.62 -0.50 120.40 120.33 2bye s VAL 104 Ca 0.40 -0.58 -0.28 0.00 -1.81 0.00 0.00 61.98 59.71 2bye s VAL 104 Cb -0.18 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.36 2bye s VAL 104 CO 0.17 0.45 1.48 -0.22 -0.31 0.00 0.00 175.10 176.68 2bye s LEU 105 N 1.33 3.49 0.00 1.32 2.96 -1.25 -1.21 118.68 125.32 2bye s LEU 105 Ca 0.04 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 2bye s LEU 105 Cb -0.14 -3.29 0.05 0.00 0.50 0.00 0.00 46.19 43.31 2bye s LEU 105 CO -0.04 -1.63 0.40 0.29 -1.32 0.00 0.00 176.35 174.05 2bye n LYS 106 N 8.41 0.84 -4.40 1.98 4.76 0.15 -4.53 118.16 125.37 2bye n LYS 106 Ca 0.16 -2.08 -0.28 0.00 -2.87 0.00 0.00 58.31 53.24 2bye n LYS 106 Cb 0.49 0.01 -0.12 0.00 -1.84 0.00 0.00 35.03 33.57 2bye n LYS 106 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2bye s THR 107 N -1.49 2.37 -0.24 -0.18 -4.23 -1.26 -1.93 115.64 108.67 2bye s THR 107 Ca 0.31 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2bye s THR 107 Cb -0.02 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2bye s THR 107 CO 0.19 -0.04 0.76 1.67 -0.54 0.00 0.00 174.62 176.66 2bye n GLN 108 N 0.48 0.87 -4.33 3.99 0.00 -0.13 -4.79 117.38 113.46 2bye n GLN 108 Ca -0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.64 2bye n GLN 108 Cb 0.55 -1.16 -0.11 0.00 0.00 0.00 0.00 30.24 29.52 2bye n GLN 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2bye s GLN 109 N -0.15 1.28 0.00 3.69 0.74 -1.26 -5.09 119.66 118.87 2bye s GLN 109 Ca 0.00 -1.41 0.05 0.00 0.05 0.00 0.00 55.36 54.04 2bye s GLN 109 Cb 0.00 -1.33 0.27 0.00 1.10 0.00 0.00 33.01 33.05 2bye s GLN 109 CO 0.00 0.27 0.75 -0.85 -0.55 0.00 0.00 175.29 174.91