#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bye s GLU 2 N 0.00 3.86 0.29 1.61 2.02 -1.26 -4.89 118.70 120.33 2bye s GLU 2 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2bye s GLU 2 Cb 0.00 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.44 2bye s GLU 2 CO 0.00 -0.91 0.00 -1.91 0.02 0.00 0.00 175.26 172.46 2bye n GLU 3 N 6.70 -1.89 -2.82 1.61 4.07 -1.26 -4.78 120.64 122.27 2bye n GLU 3 Ca 0.07 1.41 -0.41 0.00 -0.06 0.00 0.00 57.16 58.17 2bye n GLU 3 Cb 0.48 -2.26 -0.04 0.00 -0.06 0.00 0.00 31.44 29.57 2bye n GLU 3 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2bye s ARG 4 N -2.75 4.51 -0.17 5.31 3.00 -1.26 -5.04 118.95 122.54 2bye s ARG 4 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 55.73 56.83 2bye s ARG 4 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 34.95 31.44 2bye s ARG 4 CO 0.00 -0.03 0.27 -1.59 0.00 0.00 0.00 175.30 173.95 2bye s LYS 5 N 1.01 4.24 -0.41 3.54 -2.85 -1.26 -5.02 119.74 118.98 2bye s LYS 5 Ca 0.47 0.04 0.05 0.00 -1.00 0.00 0.00 55.97 55.53 2bye s LYS 5 Cb -0.20 -3.44 0.19 0.00 -2.06 0.00 0.00 37.83 32.33 2bye s LYS 5 CO 0.24 0.22 0.43 0.00 0.10 0.00 0.00 175.35 176.34 2bye n LEU 7 N 2.44 0.00 -0.85 0.00 7.99 -1.26 -3.00 117.00 122.32 2bye n LEU 7 Ca 0.26 0.06 0.10 0.00 -0.01 0.00 0.00 56.01 56.43 2bye n LEU 7 Cb 0.50 -0.06 0.28 0.00 -0.11 0.00 0.00 43.42 44.03 2bye n LEU 7 CO 0.10 -0.00 0.73 0.00 -1.51 0.00 0.00 177.39 176.71 2bye n GLN 8 N -1.06 2.10 -3.68 3.23 6.02 -1.26 -4.73 117.38 118.01 2bye n GLN 8 Ca 0.21 -1.67 -0.09 0.00 -0.01 0.00 0.00 57.00 55.44 2bye n GLN 8 Cb 0.14 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 2bye n GLN 8 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2bye s THR 9 N -1.59 -0.28 -0.03 5.09 -4.23 -1.16 0.12 115.64 113.55 2bye s THR 9 Ca 0.35 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 2bye s THR 9 Cb 0.19 -0.67 0.01 0.00 1.34 0.00 0.00 72.50 73.37 2bye s THR 9 CO 0.27 0.05 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.32 2bye s HIS 10 N 1.91 0.89 0.08 3.99 3.76 -1.15 -4.88 115.29 119.90 2bye s HIS 10 Ca -0.07 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.48 2bye s HIS 10 Cb -0.10 -0.67 -0.06 0.00 1.11 0.00 0.00 32.58 32.86 2bye s HIS 10 CO -0.13 -0.13 0.45 0.50 -0.85 0.00 0.00 174.74 174.58 2bye s ARG 11 N 0.38 3.88 -0.09 1.40 3.52 -1.26 0.03 118.95 126.80 2bye s ARG 11 Ca -0.06 0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2bye s ARG 11 Cb -0.10 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 2bye s ARG 11 CO 0.01 0.57 -0.05 0.54 -0.81 0.00 0.00 175.30 175.55 2bye s VAL 12 N -1.33 0.78 0.18 7.11 0.11 -0.45 -4.94 120.40 121.86 2bye s VAL 12 Ca 0.32 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 2bye s VAL 12 Cb -0.15 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.80 2bye s VAL 12 CO 0.17 0.31 1.13 -0.89 -3.33 0.00 0.00 175.10 172.50 2bye s THR 13 N 1.55 3.78 -0.11 5.04 2.01 -1.26 -2.19 115.64 124.46 2bye s THR 13 Ca 0.00 1.51 0.02 0.00 0.31 0.00 0.00 61.69 63.54 2bye s THR 13 Cb -0.13 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2bye s THR 13 CO -0.05 0.25 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.26 2bye s VAL 14 N -0.14 2.62 -1.50 3.82 1.01 0.51 -4.61 120.40 122.11 2bye s VAL 14 Ca 0.51 -0.83 0.17 0.00 0.00 0.00 0.00 61.98 61.84 2bye s VAL 14 Cb -0.30 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2bye s VAL 14 CO 0.35 0.55 0.88 1.41 0.00 0.00 0.00 175.10 178.29 2bye n HIS 15 N 3.39 0.00 -2.01 5.22 8.25 0.84 -1.20 115.22 129.72 2bye n HIS 15 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.19 2bye n HIS 15 Cb 0.53 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.73 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 1.24 4.99 3.74 -1.41 0.00 -1.22 -4.73 105.19 107.79 2bye n GLY 16 Ca 0.07 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2bye n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bye s VAL 17 N -3.64 2.82 -0.31 1.61 -7.23 -1.26 -3.85 120.40 108.54 2bye s VAL 17 Ca 0.42 0.31 0.24 0.00 -1.81 0.00 0.00 61.98 61.15 2bye s VAL 17 Cb 0.38 -2.71 0.33 0.00 0.56 0.00 0.00 36.38 34.94 2bye s VAL 17 CO -0.03 -0.30 1.67 1.55 -0.31 0.00 0.00 175.10 177.68 2bye h PRO 18 N -0.92 0.00 -7.24 4.82 0.13 -1.92 -3.46 132.00 123.41 2bye h PRO 18 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 2bye h PRO 18 Cb 1.25 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.58 2bye h PRO 18 CO 0.49 0.04 0.16 0.20 -0.23 0.00 0.00 178.00 178.66 2bye s GLY 19 N -4.22 1.63 0.35 1.56 0.00 -1.26 -4.94 107.32 100.44 2bye s GLY 19 Ca 0.06 0.22 0.13 0.00 0.00 0.00 0.00 44.72 45.13 2bye s GLY 19 CO 0.65 0.76 1.78 -0.56 0.00 0.00 0.00 173.10 175.73 2bye h PRO 20 N -2.05 0.00 -6.97 2.90 0.13 -2.03 -3.45 132.00 120.53 2bye h PRO 20 Ca -0.51 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 2bye h PRO 20 Cb 1.29 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.60 2bye h PRO 20 CO 0.47 0.42 0.16 0.39 -0.23 0.00 0.00 178.00 179.21 2bye n GLU 21 N -3.96 0.59 0.07 0.86 1.02 -1.26 -4.93 120.64 113.04 2bye n GLU 21 Ca -0.02 0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 2bye n GLU 21 Cb 0.46 -2.26 -0.14 0.00 -0.02 0.00 0.00 31.44 29.48 2bye n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2bye h PRO 22 N -0.13 0.18 -2.35 3.49 0.14 -1.93 -3.44 132.00 127.95 2bye h PRO 22 Ca -0.48 -0.31 -0.05 0.00 0.14 0.00 0.00 66.00 65.29 2bye h PRO 22 Cb 1.34 0.12 -0.24 0.00 0.14 0.00 0.00 31.00 32.35 2bye h PRO 22 CO 0.48 1.08 -0.16 -0.59 0.14 0.00 0.00 178.00 178.96 2bye s PHE 23 N -2.65 -0.82 -0.05 1.56 -0.71 -1.26 -4.54 117.98 109.51 2bye s PHE 23 Ca -0.05 1.68 -0.10 0.00 -1.04 0.00 0.00 56.93 57.43 2bye s PHE 23 Cb 0.08 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 2bye s PHE 23 CO 0.86 -0.43 0.23 -0.08 -1.34 0.00 0.00 175.22 174.45 2bye s THR 24 N 1.53 0.04 -0.18 -4.49 -1.32 -0.34 -4.94 115.64 105.95 2bye s THR 24 Ca -0.10 -0.32 -0.05 0.00 -1.21 0.00 0.00 61.69 60.01 2bye s THR 24 Cb -0.07 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 2bye s THR 24 CO -0.16 -0.18 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.38 2bye s VAL 25 N -0.68 4.05 0.06 5.08 1.01 -1.26 -0.36 120.40 128.30 2bye s VAL 25 Ca -0.08 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2bye s VAL 25 Cb -0.04 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2bye s VAL 25 CO 0.02 0.45 -0.07 -0.36 0.00 0.00 0.00 175.10 175.14 2bye s PHE 26 N 0.69 2.83 0.08 5.22 0.40 -0.93 -4.83 117.98 121.44 2bye s PHE 26 Ca -0.00 -0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.07 2bye s PHE 26 Cb -0.14 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 2bye s PHE 26 CO 0.02 0.41 0.52 0.99 0.70 0.00 0.00 175.22 177.86 2bye s THR 27 N -1.14 4.85 0.26 0.64 2.01 -1.26 -1.34 115.64 119.66 2bye s THR 27 Ca 0.20 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.22 2bye s THR 27 Cb -0.11 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.62 2bye s THR 27 CO 0.12 0.45 0.18 2.30 -0.69 0.00 0.00 174.62 176.98 2bye n ILE 28 N 1.42 0.00 -3.66 1.82 -5.35 0.10 -4.92 119.36 108.78 2bye n ILE 28 Ca -0.09 -1.03 -0.15 0.00 -0.27 0.00 0.00 62.75 61.21 2bye n ILE 28 Cb 0.51 -0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 38.09 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 -2.51 -0.51 1.69 7.28 2.20 -1.26 -2.92 114.94 118.92 2bye s ASN 29 Ca 0.14 0.77 0.00 0.00 -0.94 0.00 0.00 52.86 52.82 2bye s ASN 29 Cb -0.01 0.78 0.00 0.00 -2.00 0.00 0.00 41.25 40.02 2bye s ASN 29 CO 0.09 -0.37 0.00 0.61 -2.94 0.00 0.00 177.10 174.49 2bye n GLY 30 N 1.92 0.99 2.30 0.45 0.00 0.12 -3.20 105.19 107.76 2bye n GLY 30 Ca -0.17 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 2.44 3.66 -0.02 0.00 -1.26 -4.81 105.19 105.20 2bye n GLY 31 Ca 0.00 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.58 4.58 1.10 2.61 -4.23 -1.19 -5.05 115.64 112.88 2bye s THR 32 Ca 0.34 1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 62.57 2bye s THR 32 Cb 0.11 -4.23 0.25 0.00 1.34 0.00 0.00 72.50 69.98 2bye s THR 32 CO -0.15 -0.14 1.21 -1.59 -0.54 0.00 0.00 174.62 173.41 2bye s LYS 33 N 3.11 -0.43 0.54 3.99 -2.85 -1.26 -4.55 119.74 118.28 2bye s LYS 33 Ca 0.47 -0.26 0.31 0.00 -1.00 0.00 0.00 55.97 55.49 2bye s LYS 33 Cb -0.17 -1.71 1.49 0.00 -2.06 0.00 0.00 37.83 35.38 2bye s LYS 33 CO 0.10 -3.15 2.05 0.00 0.10 0.00 0.00 175.35 174.45 2bye h ALA 34 N -2.18 1.12 0.00 0.59 0.00 -1.74 -1.91 119.26 115.14 2bye h ALA 34 Ca -0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2bye h ALA 34 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2bye h ALA 34 CO 0.34 0.11 -0.33 1.57 0.00 0.00 0.00 179.25 180.94 2bye h LYS 35 N 0.00 0.00 0.00 0.00 5.09 -1.90 0.28 116.57 120.04 2bye h LYS 35 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2bye h LYS 35 Cb 0.40 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.73 2bye h LYS 35 CO 0.01 0.92 -0.04 1.96 -2.09 0.00 0.00 179.45 180.20 2bye h GLN 36 N -1.00 0.00 0.10 0.07 1.08 -1.94 -1.86 115.11 111.56 2bye h GLN 36 Ca -0.09 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.82 2bye h GLN 36 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 2bye h GLN 36 CO -0.05 0.04 -1.46 1.25 -0.95 0.00 0.00 178.83 177.66 2bye h LEU 37 N 0.00 0.33 -1.71 1.46 7.12 -1.32 -2.89 115.31 118.31 2bye h LEU 37 Ca -0.00 -0.44 0.11 0.00 0.13 0.00 0.00 57.88 57.67 2bye h LEU 37 Cb 0.18 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2bye h LEU 37 CO 0.01 1.37 0.39 0.25 -0.13 0.00 0.00 178.44 180.33 2bye h LEU 38 N 0.06 0.30 0.33 2.25 7.12 0.40 0.50 115.31 126.27 2bye h LEU 38 Ca -0.21 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2bye h LEU 38 Cb 1.99 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 42.03 2bye h LEU 38 CO 0.16 0.17 -0.43 -0.61 -0.13 0.00 0.00 178.44 177.60 2bye h GLN 39 N 0.33 -0.78 -0.27 1.25 4.15 -1.51 0.18 115.11 118.46 2bye h GLN 39 Ca 0.27 0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.82 2bye h GLN 39 Cb 0.63 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2bye h GLN 39 CO -0.07 -0.52 0.31 1.96 -1.93 0.00 0.00 178.83 178.59 2bye h GLN 40 N -0.81 0.00 0.02 1.69 1.08 0.03 0.48 115.11 117.61 2bye h GLN 40 Ca -0.02 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.93 2bye h GLN 40 Cb 0.75 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 2bye h GLN 40 CO -0.12 0.00 -1.29 0.82 -0.95 0.00 0.00 178.83 177.29 2bye h ILE 41 N 0.00 1.37 0.00 2.54 1.08 -0.01 -3.16 117.51 119.33 2bye h ILE 41 Ca 0.13 -3.11 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 2bye h ILE 41 Cb 0.75 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 2bye h ILE 41 CO -0.00 0.81 0.00 -0.07 -0.69 0.00 0.00 178.15 178.20 2bye h LEU 42 N 0.01 0.00 -7.12 1.44 3.38 0.27 -3.41 115.31 109.87 2bye h LEU 42 Ca -0.13 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.30 2bye h LEU 42 Cb 1.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 2bye h LEU 42 CO 0.12 0.00 1.91 0.41 0.09 0.00 0.00 178.44 180.97 2bye n THR 43 N -3.04 2.20 -0.02 0.22 -1.04 0.13 -3.92 114.28 108.80 2bye n THR 43 Ca 0.03 -2.10 -0.03 0.00 -2.04 0.00 0.00 64.05 59.91 2bye n THR 43 Cb 0.44 -2.29 -0.02 0.00 -1.82 0.00 0.00 70.33 66.64 2bye n THR 43 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bye n ASN 44 N 10.00 3.74 -4.58 8.00 3.02 -1.26 -4.95 115.26 129.23 2bye n ASN 44 Ca 0.48 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.59 2bye n ASN 44 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 2bye n ASN 44 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bye s GLU 45 N -2.08 3.24 2.25 3.52 2.02 -1.25 -4.89 118.70 121.51 2bye s GLU 45 Ca -0.05 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.81 2bye s GLU 45 Cb 0.01 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.07 2bye s GLU 45 CO 0.10 -1.99 0.00 0.94 0.02 0.00 0.00 175.26 174.33 2bye n GLN 46 N 8.56 0.00 0.00 1.61 0.00 -1.26 -1.54 117.38 124.75 2bye n GLN 46 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 2bye n GLN 46 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.73 2bye n GLN 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2bye n ASP 47 N -3.26 0.37 -4.76 1.69 2.03 -1.26 -4.93 116.55 106.43 2bye n ASP 47 Ca 0.00 -1.98 -0.39 0.00 0.52 0.00 0.00 54.79 52.94 2bye n ASP 47 Cb 0.00 -0.19 0.01 0.00 -0.72 0.00 0.00 41.12 40.23 2bye n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bye s ILE 48 N -1.62 2.37 -0.54 5.18 1.01 -0.59 -5.00 121.20 122.00 2bye s ILE 48 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 2bye s ILE 48 Cb 0.00 -3.18 0.14 0.00 0.01 0.00 0.00 42.46 39.43 2bye s ILE 48 CO 0.00 0.03 0.33 -0.54 0.00 0.00 0.00 174.94 174.76 2bye s LYS 49 N -2.48 2.24 0.93 2.79 1.02 -1.26 -4.50 119.74 118.47 2bye s LYS 49 Ca 0.62 -2.41 -0.22 0.00 0.02 0.00 0.00 55.97 53.97 2bye s LYS 49 Cb -0.40 -3.55 -0.13 0.00 -0.52 0.00 0.00 37.83 33.23 2bye s LYS 49 CO 0.50 -1.12 -1.11 -2.30 -0.92 0.00 0.00 175.35 170.39 2bye n PRO 50 N 3.58 -0.21 0.00 -1.68 -0.02 -1.26 -4.88 135.00 130.53 2bye n PRO 50 Ca 0.05 -0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.61 2bye n PRO 50 Cb 0.37 -1.07 0.59 0.00 -0.02 0.00 0.00 33.50 33.37 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 -3.53 0.00 -2.88 -1.45 0.31 -1.26 -4.99 118.33 104.53 2bye n VAL 51 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2bye n VAL 51 Cb 0.61 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 2bye n VAL 51 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2bye n THR 52 N -0.44 -1.47 -0.26 2.52 -2.24 -1.26 -5.01 114.28 106.12 2bye n THR 52 Ca 0.17 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2bye n THR 52 Cb 0.29 -2.55 0.00 0.00 -2.10 0.00 0.00 70.33 65.98 2bye n THR 52 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2bye n THR 53 N 1.66 0.00 0.68 4.28 5.66 -1.26 -4.84 114.28 120.46 2bye n THR 53 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2bye n THR 53 Cb 0.28 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.00 -4.74 1.09 8.00 -1.26 -4.78 116.55 114.87 2bye n ASP 54 Ca 0.00 -0.61 -0.34 0.00 0.71 0.00 0.00 54.79 54.55 2bye n ASP 54 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 2bye n ASP 54 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bye s TYR 55 N -2.00 2.22 0.00 1.24 2.02 -1.26 -1.29 117.35 118.28 2bye s TYR 55 Ca 0.03 1.59 -0.22 0.00 -0.37 0.00 0.00 57.07 58.10 2bye s TYR 55 Cb 0.01 -3.37 0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2bye s TYR 55 CO 0.02 -2.32 0.49 -0.59 -1.57 0.00 0.00 175.55 171.58 2bye s PHE 56 N -2.12 -0.39 0.06 2.71 -0.12 -0.93 -4.85 117.98 112.33 2bye s PHE 56 Ca 0.72 0.55 -0.02 0.00 -0.05 0.00 0.00 56.93 58.13 2bye s PHE 56 Cb -0.26 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 2bye s PHE 56 CO 0.44 -0.55 0.24 -1.17 -0.05 0.00 0.00 175.22 174.13 2bye s LEU 57 N -1.59 4.35 0.10 -1.99 2.96 -1.26 -0.40 118.68 120.85 2bye s LEU 57 Ca -0.09 0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.97 2bye s LEU 57 Cb -0.02 -2.95 0.05 0.00 0.50 0.00 0.00 46.19 43.78 2bye s LEU 57 CO 0.03 0.17 0.52 0.00 -1.32 0.00 0.00 176.35 175.75 2bye s MET 58 N -2.38 1.13 -0.16 1.98 0.23 -1.24 -0.35 119.30 118.50 2bye s MET 58 Ca 0.34 -0.42 -0.13 0.00 -1.03 0.00 0.00 55.69 54.45 2bye s MET 58 Cb -0.13 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.64 2bye s MET 58 CO 0.25 -0.45 0.25 -1.21 -2.03 0.00 0.00 175.02 171.83 2bye s GLU 59 N -3.21 4.19 -0.44 3.16 2.02 0.13 -2.40 118.70 122.16 2bye s GLU 59 Ca -0.01 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.89 2bye s GLU 59 Cb -0.00 -3.41 0.08 0.00 0.10 0.00 0.00 34.13 30.90 2bye s GLU 59 CO -0.08 0.29 0.30 -1.21 0.02 0.00 0.00 175.26 174.58 2bye s GLU 60 N 0.33 2.69 -0.36 1.61 0.41 -0.04 -1.09 118.70 122.26 2bye s GLU 60 Ca 0.14 -1.47 -0.09 0.00 -0.41 0.00 0.00 54.97 53.14 2bye s GLU 60 Cb -0.13 -3.89 0.03 0.00 -1.78 0.00 0.00 34.13 28.37 2bye s GLU 60 CO 0.03 -1.00 0.16 0.15 -0.49 0.00 0.00 175.26 174.10 2bye s LYS 61 N 1.47 2.77 0.44 1.61 -0.14 0.12 -3.20 119.74 122.82 2bye s LYS 61 Ca 0.03 -1.10 0.08 0.00 -1.36 0.00 0.00 55.97 53.62 2bye s LYS 61 Cb -0.24 -3.61 -0.00 0.00 -1.68 0.00 0.00 37.83 32.30 2bye s LYS 61 CO 0.03 -0.67 0.42 -0.47 -0.76 0.00 0.00 175.35 173.90 2bye s TYR 62 N 1.50 2.48 0.26 3.18 5.04 -1.26 -1.12 117.35 127.42 2bye s TYR 62 Ca 0.01 -0.55 -0.30 0.00 -2.44 0.00 0.00 57.07 53.79 2bye s TYR 62 Cb -0.19 -2.15 -0.09 0.00 0.35 0.00 0.00 41.96 39.87 2bye s TYR 62 CO 0.05 -0.26 1.15 -0.06 -1.34 0.00 0.00 175.55 175.09 2bye s PHE 63 N -2.52 3.48 -0.11 4.97 0.08 -1.26 -4.83 117.98 117.80 2bye s PHE 63 Ca 0.48 1.60 0.01 0.00 0.12 0.00 0.00 56.93 59.13 2bye s PHE 63 Cb -0.04 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.03 2bye s PHE 63 CO 0.28 -0.86 -0.13 0.42 -0.10 0.00 0.00 175.22 174.84 2bye s ILE 64 N -0.85 3.13 -0.66 0.64 1.01 -1.26 -4.77 121.20 118.44 2bye s ILE 64 Ca 0.47 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 2bye s ILE 64 Cb -0.33 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2bye s ILE 64 CO 0.41 0.54 0.66 -1.20 0.00 0.00 0.00 174.94 175.36 2bye n SER 65 N 3.17 -7.44 -4.55 3.58 7.64 -1.26 -4.85 113.62 109.91 2bye n SER 65 Ca -0.18 -0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.31 2bye n SER 65 Cb 0.53 -4.80 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 2bye n SER 65 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2bye s LYS 66 N -3.09 2.60 0.36 1.43 -2.85 -1.26 -4.96 119.74 111.97 2bye s LYS 66 Ca 0.08 0.54 0.08 0.00 -1.00 0.00 0.00 55.97 55.67 2bye s LYS 66 Cb -0.02 -4.47 -0.05 0.00 -2.06 0.00 0.00 37.83 31.23 2bye s LYS 66 CO 0.78 -2.83 0.07 -1.83 0.10 0.00 0.00 175.35 171.64 2bye s GLU 67 N 7.09 2.15 -0.53 1.78 4.04 -1.26 -4.90 118.70 127.07 2bye s GLU 67 Ca 0.69 -1.76 -0.14 0.00 0.04 0.00 0.00 54.97 53.80 2bye s GLU 67 Cb -0.12 -1.96 0.02 0.00 0.02 0.00 0.00 34.13 32.09 2bye s GLU 67 CO 0.19 0.07 0.63 1.63 -1.84 0.00 0.00 175.26 175.93 2bye n LYS 68 N -1.05 -2.03 -0.91 -4.83 4.01 -1.26 -4.72 118.16 107.37 2bye n LYS 68 Ca -0.03 1.82 0.12 0.00 -0.51 0.00 0.00 58.31 59.71 2bye n LYS 68 Cb 0.63 -5.11 -0.03 0.00 -0.51 0.00 0.00 35.03 30.00 2bye n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2bye n ASN 69 N -0.77 -6.22 -4.67 4.39 2.85 -1.26 -4.65 115.26 104.93 2bye n ASN 69 Ca 0.04 0.98 -0.43 0.00 -0.11 0.00 0.00 54.58 55.06 2bye n ASN 69 Cb 0.51 -2.75 -0.02 0.00 1.24 0.00 0.00 39.78 38.76 2bye n ASN 69 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2bye s GLU 70 N -1.59 4.32 -0.39 1.20 2.12 -1.26 -4.96 118.70 118.14 2bye s GLU 70 Ca 0.00 1.43 -0.28 0.00 0.36 0.00 0.00 54.97 56.48 2bye s GLU 70 Cb 0.00 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 2bye s GLU 70 CO 0.00 -0.51 1.88 0.00 -0.54 0.00 0.00 175.26 176.09 2bye n ARG 72 N 8.65 1.21 -1.83 0.00 5.12 -1.26 -4.89 116.66 123.66 2bye n ARG 72 Ca 0.24 -0.57 -0.34 0.00 -1.93 0.00 0.00 57.85 55.24 2bye n ARG 72 Cb 0.48 -1.49 0.05 0.00 -1.16 0.00 0.00 32.46 30.34 2bye n ARG 72 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2bye s LYS 73 N -2.19 2.78 0.15 5.56 2.20 -1.26 -5.03 119.74 121.96 2bye s LYS 73 Ca 0.35 1.64 -0.12 0.00 -0.36 0.00 0.00 55.97 57.49 2bye s LYS 73 Cb 0.21 -1.92 -0.07 0.00 -1.51 0.00 0.00 37.83 34.53 2bye s LYS 73 CO 0.40 -1.32 0.51 1.14 -0.36 0.00 0.00 175.35 175.73 2bye s GLN 74 N -3.70 3.88 1.15 4.03 -2.07 -1.26 -5.09 119.66 116.60 2bye s GLN 74 Ca 0.73 0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 54.43 2bye s GLN 74 Cb -0.26 -2.87 0.27 0.00 -1.09 0.00 0.00 33.01 29.06 2bye s GLN 74 CO 0.38 0.45 1.19 -2.14 -1.32 0.00 0.00 175.29 173.84 2bye s PRO 75 N -2.19 -0.85 -0.40 9.60 0.02 -1.26 -5.02 135.00 134.90 2bye s PRO 75 Ca 0.39 -0.26 -0.13 0.00 0.02 0.00 0.00 61.00 61.02 2bye s PRO 75 Cb -0.14 -1.66 0.03 0.00 0.02 0.00 0.00 34.50 32.76 2bye s PRO 75 CO 0.20 -3.43 0.27 -0.06 -0.33 0.00 0.00 177.00 173.64 2bye s PHE 76 N -3.31 3.25 -0.30 6.54 0.08 -0.28 -5.03 117.98 118.93 2bye s PHE 76 Ca 0.73 -0.81 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 2bye s PHE 76 Cb -0.07 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2bye s PHE 76 CO 0.55 -0.64 0.14 -1.14 -0.10 0.00 0.00 175.22 174.03 2bye s GLN 77 N 1.61 3.40 -0.25 0.44 0.74 -1.26 -0.70 119.66 123.64 2bye s GLN 77 Ca 0.04 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.80 2bye s GLN 77 Cb -0.20 -3.54 0.06 0.00 1.10 0.00 0.00 33.01 30.44 2bye s GLN 77 CO 0.08 -0.38 -0.10 1.03 -0.55 0.00 0.00 175.29 175.38 2bye s ARG 78 N 1.62 2.09 -0.45 1.67 0.52 -0.25 -5.01 118.95 119.14 2bye s ARG 78 Ca 0.05 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 53.72 2bye s ARG 78 Cb -0.17 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.52 2bye s ARG 78 CO 0.06 -0.57 1.29 0.00 0.02 0.00 0.00 175.30 176.10 2bye s ALA 79 N 1.18 3.08 0.31 2.13 0.00 -1.26 0.22 121.76 127.43 2bye s ALA 79 Ca -0.08 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 2bye s ALA 79 Cb -0.20 -3.93 -0.11 0.00 0.00 0.00 0.00 23.12 18.89 2bye s ALA 79 CO -0.05 -2.36 1.43 0.42 0.00 0.00 0.00 175.76 175.19 2bye s ILE 80 N 5.03 2.46 0.20 0.00 1.01 0.52 -4.94 121.20 125.47 2bye s ILE 80 Ca 0.55 0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.68 2bye s ILE 80 Cb -0.11 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2bye s ILE 80 CO 0.32 0.09 0.17 -0.83 0.00 0.00 0.00 174.94 174.69 2bye s GLY 81 N -0.02 1.59 0.41 6.18 0.00 -1.26 -4.48 107.32 109.75 2bye s GLY 81 Ca 0.55 -1.28 0.09 0.00 0.00 0.00 0.00 44.72 44.08 2bye s GLY 81 CO 0.52 -1.30 2.03 -2.55 0.00 0.00 0.00 173.10 171.80 2bye h PRO 82 N 2.05 0.51 -0.93 2.90 0.11 -1.96 -0.42 132.00 134.26 2bye h PRO 82 Ca -0.48 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.73 2bye h PRO 82 Cb 1.21 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 2bye h PRO 82 CO 0.62 0.34 0.55 0.93 -0.21 0.00 0.00 178.00 180.23 2bye h GLU 83 N 0.52 0.79 -6.29 1.05 3.07 -2.00 -3.36 114.58 108.36 2bye h GLU 83 Ca 0.20 -0.05 -0.55 0.00 -0.50 0.00 0.00 59.36 58.46 2bye h GLU 83 Cb 0.13 -0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 27.78 2bye h GLU 83 CO -0.05 0.52 1.02 -1.21 -1.40 0.00 0.00 179.01 177.89 2bye s GLU 84 N -5.96 3.19 0.17 2.33 2.02 -0.17 -5.00 118.70 115.29 2bye s GLU 84 Ca -0.12 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 2bye s GLU 84 Cb 0.22 -4.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.20 2bye s GLU 84 CO 0.79 -2.11 0.99 -1.21 0.02 0.00 0.00 175.26 173.74 2bye s GLU 85 N 5.59 4.71 0.45 1.61 2.02 -1.26 -4.28 118.70 127.55 2bye s GLU 85 Ca 0.34 1.54 0.19 0.00 0.02 0.00 0.00 54.97 57.06 2bye s GLU 85 Cb -0.09 -3.32 1.08 0.00 0.10 0.00 0.00 34.13 31.90 2bye s GLU 85 CO 0.15 0.26 1.96 -0.84 0.02 0.00 0.00 175.26 176.81 2bye h ILE 86 N 3.70 0.93 0.00 -1.63 3.07 -1.90 -0.30 117.51 121.39 2bye h ILE 86 Ca -0.44 -0.81 -0.00 0.00 1.55 0.00 0.00 64.86 65.16 2bye h ILE 86 Cb 1.21 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 2bye h ILE 86 CO 0.71 0.21 -0.01 -0.03 -1.05 0.00 0.00 178.15 177.99 2bye h MET 87 N 0.00 0.00 0.08 0.16 4.05 -1.92 -1.10 114.93 116.20 2bye h MET 87 Ca -0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 2bye h MET 87 Cb 0.45 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.27 2bye h MET 87 CO 0.03 0.01 -1.16 1.96 0.23 0.00 0.00 176.91 177.98 2bye h GLN 88 N 0.00 0.55 -0.19 0.39 4.20 -1.45 -1.42 115.11 117.18 2bye h GLN 88 Ca -0.00 -0.70 0.01 0.00 0.06 0.00 0.00 58.65 58.02 2bye h GLN 88 Cb 0.64 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2bye h GLN 88 CO 0.00 1.30 0.09 0.82 -0.67 0.00 0.00 178.83 180.37 2bye h ILE 89 N 0.26 0.99 0.00 2.54 1.08 -1.02 0.36 117.51 121.72 2bye h ILE 89 Ca -0.15 -0.07 -0.09 0.00 -0.39 0.00 0.00 64.86 64.16 2bye h ILE 89 Cb 1.82 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 2bye h ILE 89 CO 0.21 0.04 -0.43 -0.07 -0.69 0.00 0.00 178.15 177.21 2bye h LEU 90 N 0.20 0.00 -0.06 1.44 3.38 -1.27 -1.77 115.31 117.23 2bye h LEU 90 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2bye h LEU 90 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2bye h LEU 90 CO -0.06 0.43 -0.03 -1.28 0.09 0.00 0.00 178.44 177.59 2bye h SER 91 N 0.00 0.14 -1.13 -0.43 0.87 -0.75 -3.13 113.55 109.11 2bye h SER 91 Ca -0.00 -0.42 -0.65 0.00 -1.23 0.00 0.00 61.79 59.50 2bye h SER 91 Cb 0.94 -0.04 -0.26 0.00 -0.44 0.00 0.00 62.40 62.60 2bye h SER 91 CO 0.06 0.52 0.84 -1.20 -0.53 0.00 0.00 176.83 176.51 2bye n SER 92 N -4.79 7.48 0.18 6.23 7.64 0.07 -4.64 113.62 125.79 2bye n SER 92 Ca -0.07 -3.68 -0.08 0.00 1.01 0.00 0.00 58.87 56.04 2bye n SER 92 Cb 0.25 -1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2bye n SER 92 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2bye h TRP 93 N 2.17 -0.49 -5.44 1.43 2.91 -1.27 -3.48 115.95 111.79 2bye h TRP 93 Ca 0.55 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.56 2bye h TRP 93 Cb 0.67 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 2bye h TRP 93 CO 1.31 -0.31 -1.05 1.19 -1.03 0.00 0.00 178.44 178.56 2bye n PHE 94 N -4.99 -3.04 0.75 2.65 3.72 -1.26 -3.44 117.46 111.85 2bye n PHE 94 Ca -0.07 1.45 0.00 0.00 -0.05 0.00 0.00 57.45 58.79 2bye n PHE 94 Cb 0.21 -3.21 0.00 0.00 -0.94 0.00 0.00 39.48 35.54 2bye n PHE 94 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2bye n PRO 95 N 1.12 0.39 -0.01 -1.08 -0.04 -1.26 -0.12 135.00 133.99 2bye n PRO 95 Ca -0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 2bye n PRO 95 Cb 0.22 -1.02 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 2bye n PRO 95 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2bye n GLU 96 N -0.44 0.70 -0.02 0.54 0.28 -1.26 -3.85 120.64 116.60 2bye n GLU 96 Ca 0.00 0.28 -0.02 0.00 -0.16 0.00 0.00 57.16 57.26 2bye n GLU 96 Cb 0.01 -1.75 -0.03 0.00 1.43 0.00 0.00 31.44 31.10 2bye n GLU 96 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2bye n GLU 97 N -3.27 2.62 -0.50 3.44 1.02 -0.81 -4.61 120.64 118.53 2bye n GLU 97 Ca -0.25 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 56.94 2bye n GLU 97 Cb 1.05 -1.09 0.23 0.00 -0.02 0.00 0.00 31.44 31.61 2bye n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bye n GLY 98 N 2.91 2.31 0.35 0.62 0.00 0.82 -4.23 105.19 107.97 2bye n GLY 98 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.45 2bye n GLY 98 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bye h TYR 99 N 2.23 0.95 -2.97 1.61 3.20 -1.70 -3.24 116.97 117.05 2bye h TYR 99 Ca 0.00 0.02 -0.76 0.00 3.14 0.00 0.00 58.73 61.14 2bye h TYR 99 Cb 1.32 -0.32 -0.22 0.00 1.54 0.00 0.00 36.73 39.04 2bye h TYR 99 CO 0.61 0.60 0.73 1.41 -1.64 0.00 0.00 178.16 179.86 2bye s MET 100 N -5.86 3.93 -0.53 1.82 1.75 -1.26 -4.90 119.30 114.25 2bye s MET 100 Ca -0.11 -2.58 0.04 0.00 -1.25 0.00 0.00 55.69 51.79 2bye s MET 100 Cb 0.18 -4.76 0.16 0.00 2.84 0.00 0.00 34.83 33.26 2bye s MET 100 CO 0.78 -1.52 0.39 0.20 -0.65 0.00 0.00 175.02 174.22 2bye s GLY 101 N 2.41 1.93 -0.17 2.11 0.00 -1.22 -4.14 107.32 108.24 2bye s GLY 101 Ca 0.32 -3.00 -0.09 0.00 0.00 0.00 0.00 44.72 41.95 2bye s GLY 101 CO -0.06 1.64 0.14 1.09 0.00 0.00 0.00 173.10 175.91 2bye s ARG 102 N -0.48 3.94 -0.27 2.90 1.70 -1.19 -4.95 118.95 120.60 2bye s ARG 102 Ca 0.28 -0.18 -0.19 0.00 -0.47 0.00 0.00 55.73 55.17 2bye s ARG 102 Cb -0.03 -3.34 -0.02 0.00 -0.57 0.00 0.00 34.95 30.98 2bye s ARG 102 CO -0.16 0.46 0.56 0.42 -1.08 0.00 0.00 175.30 175.50 2bye s ILE 103 N -0.10 5.02 -0.32 4.99 1.01 -1.26 -0.86 121.20 129.67 2bye s ILE 103 Ca 0.11 0.90 -0.02 0.00 0.00 0.00 0.00 60.65 61.64 2bye s ILE 103 Cb -0.11 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.52 2bye s ILE 103 CO 0.00 0.01 0.04 0.68 0.00 0.00 0.00 174.94 175.67 2bye s VAL 104 N 2.42 3.02 0.05 2.92 -7.23 -1.01 -0.11 120.40 120.46 2bye s VAL 104 Ca 0.23 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 2bye s VAL 104 Cb -0.15 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.87 2bye s VAL 104 CO 0.10 -0.25 1.86 -0.22 -0.31 0.00 0.00 175.10 176.27 2bye s LEU 105 N 1.21 4.40 0.00 1.32 2.96 -1.25 -3.64 118.68 123.69 2bye s LEU 105 Ca -0.02 2.61 0.03 0.00 -0.22 0.00 0.00 54.13 56.52 2bye s LEU 105 Cb -0.20 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 42.97 2bye s LEU 105 CO -0.02 -1.01 0.21 0.29 -1.32 0.00 0.00 176.35 174.51 2bye n LYS 106 N 6.86 0.93 -4.26 1.98 4.76 0.46 -4.50 118.16 124.39 2bye n LYS 106 Ca 0.19 -2.71 -0.21 0.00 -2.87 0.00 0.00 58.31 52.71 2bye n LYS 106 Cb 0.41 0.44 -0.12 0.00 -1.84 0.00 0.00 35.03 33.92 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 -2.19 1.53 0.00 -0.18 -4.23 -1.26 -2.19 115.64 107.11 2bye s THR 107 Ca 0.16 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2bye s THR 107 Cb -0.01 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.32 2bye s THR 107 CO 0.10 -0.22 1.19 1.67 -0.54 0.00 0.00 174.62 176.83 2bye n GLN 108 N 0.86 0.99 -4.45 3.99 -0.06 -0.41 -4.82 117.38 113.47 2bye n GLN 108 Ca -0.18 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.58 2bye n GLN 108 Cb 0.55 -1.01 -0.10 0.00 -4.06 0.00 0.00 30.24 25.62 2bye n GLN 108 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2bye s GLN 109 N 0.02 1.71 0.00 3.69 0.74 -1.26 -5.07 119.66 119.49 2bye s GLN 109 Ca 0.00 -1.73 0.00 0.00 0.05 0.00 0.00 55.36 53.68 2bye s GLN 109 Cb 0.00 -1.80 0.00 0.00 1.10 0.00 0.00 33.01 32.31 2bye s GLN 109 CO 0.00 0.34 0.48 -0.85 -0.55 0.00 0.00 175.29 174.70