#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtb s GLN 2 N 0.00 2.04 -0.17 -0.52 0.74 -1.26 -5.10 119.66 115.40 1mtb s GLN 2 Ca 0.00 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 54.91 1mtb s GLN 2 Cb 0.00 -1.80 -0.01 0.00 1.10 0.00 0.00 33.01 32.30 1mtb s GLN 2 CO 0.00 -0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 174.93 1mtb s ILE 3 N 1.14 2.94 0.67 -2.34 1.01 -1.26 -5.12 121.20 118.25 1mtb s ILE 3 Ca -0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1mtb s ILE 3 Cb -0.14 -2.27 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1mtb s ILE 3 CO -0.03 0.50 0.99 0.42 0.00 0.00 0.00 174.94 176.81 1mtb s THR 4 N 0.86 2.83 -0.37 2.92 -4.23 -1.26 -5.02 115.64 111.37 1mtb s THR 4 Ca -0.03 -0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.53 1mtb s THR 4 Cb -0.15 -3.19 0.49 0.00 1.34 0.00 0.00 72.50 70.98 1mtb s THR 4 CO -0.00 -0.21 1.39 0.18 -0.54 0.00 0.00 174.62 175.44 1mtb n LEU 5 N -2.84 3.71 -0.27 4.79 4.77 -1.26 -4.56 117.00 121.34 1mtb n LEU 5 Ca 0.07 -2.77 -0.04 0.00 -0.03 0.00 0.00 56.01 53.24 1mtb n LEU 5 Cb 0.59 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1mtb n LEU 5 CO 0.53 0.69 1.18 -0.50 -1.33 0.00 0.00 177.39 177.96 1mtb h TRP 6 N 1.93 0.93 -1.70 -1.77 4.06 -2.06 -3.43 115.95 113.91 1mtb h TRP 6 Ca 0.00 0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.42 1mtb h TRP 6 Cb 1.29 -0.31 -0.08 0.00 -1.00 0.00 0.00 29.16 29.06 1mtb h TRP 6 CO 0.45 0.56 -0.51 -0.65 -3.56 0.00 0.00 178.44 174.73 1mtb s GLN 7 N -6.13 2.27 0.27 0.49 -0.21 -1.26 -5.08 119.66 110.02 1mtb s GLN 7 Ca -0.13 -1.73 -0.30 0.00 0.02 0.00 0.00 55.36 53.21 1mtb s GLN 7 Cb 0.15 -2.06 -0.11 0.00 1.00 0.00 0.00 33.01 31.99 1mtb s GLN 7 CO 0.78 -0.04 1.63 1.03 -2.12 0.00 0.00 175.29 176.57 1mtb s ARG 8 N -3.89 4.12 -1.19 2.91 0.52 -1.26 -4.86 118.95 115.30 1mtb s ARG 8 Ca 0.40 2.59 -0.20 0.00 -0.52 0.00 0.00 55.73 58.00 1mtb s ARG 8 Cb 0.01 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1mtb s ARG 8 CO 0.23 -0.66 1.90 -0.35 0.02 0.00 0.00 175.30 176.43 1mtb n PRO 9 N 2.62 2.27 -3.45 3.54 -0.04 -1.26 -4.95 135.00 133.74 1mtb n PRO 9 Ca 0.10 -2.66 -0.37 0.00 -0.04 0.00 0.00 63.50 60.53 1mtb n PRO 9 Cb 0.37 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 1mtb n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mtb s LEU 10 N 6.12 4.32 0.20 1.53 1.43 -1.26 -0.58 118.68 130.44 1mtb s LEU 10 Ca 0.59 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1mtb s LEU 10 Cb 0.05 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1mtb s LEU 10 CO 0.09 0.13 0.05 0.68 0.23 0.00 0.00 176.35 177.53 1mtb s VAL 11 N 0.07 0.52 -0.16 -1.59 -7.23 -0.08 -4.96 120.40 106.97 1mtb s VAL 11 Ca 0.22 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 1mtb s VAL 11 Cb -0.15 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1mtb s VAL 11 CO 0.09 -0.29 0.32 -0.89 -0.31 0.00 0.00 175.10 174.03 1mtb s THR 12 N -3.77 5.28 0.09 5.32 2.01 -1.26 -1.12 115.64 122.20 1mtb s THR 12 Ca 0.30 0.61 0.08 0.00 0.31 0.00 0.00 61.69 62.98 1mtb s THR 12 Cb 0.07 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1mtb s THR 12 CO 0.07 0.36 -0.21 0.27 -0.69 0.00 0.00 174.62 174.43 1mtb s ILE 13 N 0.60 1.73 -0.23 1.82 -4.36 0.21 -1.34 121.20 119.63 1mtb s ILE 13 Ca 0.18 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1mtb s ILE 13 Cb -0.13 -1.56 0.02 0.00 1.25 0.00 0.00 42.46 42.04 1mtb s ILE 13 CO 0.05 0.00 -0.08 -0.13 0.24 0.00 0.00 174.94 175.02 1mtb s ARG 14 N -1.76 2.94 -0.00 0.37 3.00 0.15 0.12 118.95 123.77 1mtb s ARG 14 Ca 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 55.73 54.89 1mtb s ARG 14 Cb -0.10 -2.92 -0.00 0.00 0.00 0.00 0.00 34.95 31.93 1mtb s ARG 14 CO 0.04 -0.34 0.02 -1.50 0.00 0.00 0.00 175.30 173.53 1mtb s ILE 15 N 1.34 0.03 -1.40 1.52 2.07 0.97 -0.78 121.20 124.95 1mtb s ILE 15 Ca 0.02 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 1mtb s ILE 15 Cb -0.16 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.31 1mtb s ILE 15 CO -0.06 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.44 1mtb n GLY 16 N 2.62 1.26 0.81 1.50 0.00 -1.26 -0.20 105.19 109.91 1mtb n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1mtb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtb n GLY 17 N -0.04 0.72 3.46 -0.02 0.00 -1.26 -5.07 105.19 102.97 1mtb n GLY 17 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1mtb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mtb s GLN 18 N -0.70 1.65 -0.26 1.61 -0.21 0.72 -5.12 119.66 117.35 1mtb s GLN 18 Ca 0.00 -1.31 -0.10 0.00 0.02 0.00 0.00 55.36 53.97 1mtb s GLN 18 Cb 0.00 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 1mtb s GLN 18 CO 0.00 0.45 0.17 -0.51 -2.12 0.00 0.00 175.29 173.28 1mtb s LEU 19 N -2.30 4.00 0.21 2.90 1.43 -1.26 -0.02 118.68 123.64 1mtb s LEU 19 Ca 0.18 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1mtb s LEU 19 Cb -0.10 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1mtb s LEU 19 CO 0.09 -0.00 -0.08 -0.54 0.23 0.00 0.00 176.35 176.05 1mtb s LYS 20 N 1.48 1.30 -0.38 1.70 -0.14 0.33 -4.92 119.74 119.10 1mtb s LYS 20 Ca 0.07 -1.61 -0.16 0.00 -1.36 0.00 0.00 55.97 52.91 1mtb s LYS 20 Cb -0.15 -0.85 0.00 0.00 -1.68 0.00 0.00 37.83 35.16 1mtb s LYS 20 CO 0.08 0.05 0.37 -1.21 -0.76 0.00 0.00 175.35 173.88 1mtb s GLU 21 N -3.75 3.33 0.20 1.68 0.41 -1.26 0.66 118.70 119.96 1mtb s GLU 21 Ca 0.24 -0.62 0.11 0.00 -0.41 0.00 0.00 54.97 54.29 1mtb s GLU 21 Cb 0.03 -3.88 -0.04 0.00 -1.78 0.00 0.00 34.13 28.45 1mtb s GLU 21 CO 0.06 -0.66 -0.24 0.00 -0.49 0.00 0.00 175.26 173.94 1mtb s ALA 22 N 2.00 2.55 -0.19 5.21 0.00 -0.27 -4.45 121.76 126.61 1mtb s ALA 22 Ca 0.11 -1.65 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 1mtb s ALA 22 Cb -0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1mtb s ALA 22 CO 0.12 0.43 0.30 -1.17 0.00 0.00 0.00 175.76 175.43 1mtb s LEU 23 N -2.70 4.20 -0.11 0.00 2.96 0.23 -0.91 118.68 122.35 1mtb s LEU 23 Ca 0.21 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.26 1mtb s LEU 23 Cb -0.08 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1mtb s LEU 23 CO 0.10 0.04 1.21 -0.76 -1.32 0.00 0.00 176.35 175.63 1mtb s LEU 24 N 0.80 4.23 -0.32 -0.68 1.02 0.26 -1.38 118.68 122.61 1mtb s LEU 24 Ca 0.16 1.73 -0.00 0.00 0.02 0.00 0.00 54.13 56.03 1mtb s LEU 24 Cb -0.13 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.63 1mtb s LEU 24 CO 0.05 -0.65 0.10 0.21 0.02 0.00 0.00 176.35 176.08 1mtb s ASN 25 N 1.65 4.03 0.27 2.29 3.04 -0.47 -4.78 114.94 120.97 1mtb s ASN 25 Ca 0.54 -1.72 0.24 0.00 0.04 0.00 0.00 52.86 51.97 1mtb s ASN 25 Cb -0.23 -0.90 0.99 0.00 -1.54 0.00 0.00 41.25 39.57 1mtb s ASN 25 CO 0.18 -0.41 1.72 0.35 -3.04 0.00 0.00 177.10 175.91 1mtb n THR 26 N 4.75 0.81 0.28 -5.21 -2.24 -1.26 -2.37 114.28 109.03 1mtb n THR 26 Ca -0.01 0.21 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1mtb n THR 26 Cb 0.42 -1.14 0.24 0.00 -2.10 0.00 0.00 70.33 67.75 1mtb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mtb n GLY 27 N 0.06 1.54 3.29 3.38 0.00 -1.26 -4.85 105.19 107.35 1mtb n GLY 27 Ca 0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1mtb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtb s ALA 28 N -1.29 2.47 -0.01 4.61 0.00 -1.00 -5.01 121.76 121.55 1mtb s ALA 28 Ca 0.37 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 1mtb s ALA 28 Cb 0.19 -1.13 -0.19 0.00 0.00 0.00 0.00 23.12 21.99 1mtb s ALA 28 CO 0.25 0.13 1.31 -0.44 0.00 0.00 0.00 175.76 177.02 1mtb h ASP 29 N 6.97 0.05 -1.08 0.00 3.32 -1.89 0.23 116.42 124.01 1mtb h ASP 29 Ca -0.27 -0.45 -0.51 0.00 0.02 0.00 0.00 57.03 55.82 1mtb h ASP 29 Cb 1.21 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1mtb h ASP 29 CO 0.54 0.49 -0.28 -1.81 -1.72 0.00 0.00 179.24 176.46 1mtb s ASP 30 N -5.71 5.00 -0.19 6.45 1.01 -1.26 -2.79 116.67 119.19 1mtb s ASP 30 Ca -0.15 -0.88 -0.05 0.00 0.71 0.00 0.00 52.55 52.18 1mtb s ASP 30 Cb 0.02 -0.11 -0.02 0.00 1.01 0.00 0.00 42.92 43.82 1mtb s ASP 30 CO 0.68 -0.94 -0.01 -0.89 0.21 0.00 0.00 175.17 174.22 1mtb s THR 31 N -2.59 3.94 -0.14 -1.27 2.01 -1.26 -2.96 115.64 113.37 1mtb s THR 31 Ca 0.48 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1mtb s THR 31 Cb -0.04 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1mtb s THR 31 CO 0.29 0.44 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.77 1mtb s VAL 32 N 0.85 1.91 0.14 3.82 1.01 0.70 -1.13 120.40 127.71 1mtb s VAL 32 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1mtb s VAL 32 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1mtb s VAL 32 CO 0.02 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.76 1mtb s LEU 33 N 0.91 2.92 0.44 3.92 1.43 -0.10 0.89 118.68 129.08 1mtb s LEU 33 Ca -0.06 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 1mtb s LEU 33 Cb -0.15 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 1mtb s LEU 33 CO -0.03 0.15 1.23 -1.84 0.23 0.00 0.00 176.35 176.08 1mtb n GLU 34 N 0.44 1.79 -1.69 1.70 -0.00 -1.26 -2.70 120.64 118.91 1mtb n GLU 34 Ca -0.13 0.64 -0.63 0.00 -0.00 0.00 0.00 57.16 57.04 1mtb n GLU 34 Cb 0.54 -2.34 -0.09 0.00 -0.00 0.00 0.00 31.44 29.55 1mtb n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1mtb n GLU 35 N -0.05 0.38 -3.76 3.44 4.07 -1.00 -4.68 120.64 119.04 1mtb n GLU 35 Ca 0.08 0.14 -0.13 0.00 -0.06 0.00 0.00 57.16 57.18 1mtb n GLU 35 Cb 0.40 -1.70 -0.08 0.00 -0.06 0.00 0.00 31.44 30.00 1mtb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mtb s MET 36 N 2.55 0.70 -1.00 5.31 0.23 -1.26 -5.01 119.30 120.82 1mtb s MET 36 Ca 1.00 -0.26 -0.19 0.00 -1.03 0.00 0.00 55.69 55.20 1mtb s MET 36 Cb -1.32 0.31 0.11 0.00 -1.53 0.00 0.00 34.83 32.40 1mtb s MET 36 CO 0.72 -0.20 1.28 1.21 -2.03 0.00 0.00 175.02 175.99 1mtb s ASN 37 N -1.50 6.66 0.27 -1.18 3.04 -1.26 -5.02 114.94 115.95 1mtb s ASN 37 Ca -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 52.86 50.72 1mtb s ASN 37 Cb -0.04 -2.45 -0.05 0.00 -1.54 0.00 0.00 41.25 37.17 1mtb s ASN 37 CO 0.03 -1.15 0.52 -0.76 -3.04 0.00 0.00 177.10 172.70 1mtb s LEU 38 N 3.23 4.10 0.27 3.21 1.43 -1.26 -5.09 118.68 124.56 1mtb s LEU 38 Ca 0.38 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 1mtb s LEU 38 Cb -0.03 -3.46 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 1mtb s LEU 38 CO -0.08 -0.16 0.62 -2.16 0.23 0.00 0.00 176.35 174.80 1mtb s PRO 39 N -3.49 3.87 0.00 1.29 0.04 -1.26 -5.00 135.00 130.45 1mtb s PRO 39 Ca 0.43 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1mtb s PRO 39 Cb -0.11 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1mtb s PRO 39 CO 0.30 0.25 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1mtb n GLY 40 N -0.24 2.62 3.81 0.56 0.00 -1.26 -5.05 105.19 105.63 1mtb n GLY 40 Ca 0.02 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 1mtb n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mtb s LYS 41 N -2.13 4.36 -0.10 1.61 3.01 -1.26 -5.07 119.74 120.15 1mtb s LYS 41 Ca 0.00 1.19 -0.08 0.00 -1.01 0.00 0.00 55.97 56.07 1mtb s LYS 41 Cb 0.00 -2.40 0.03 0.00 -1.01 0.00 0.00 37.83 34.45 1mtb s LYS 41 CO 0.00 0.08 0.26 1.67 0.51 0.00 0.00 175.35 177.87 1mtb s TRP 42 N -1.98 -0.31 0.13 3.18 1.48 -1.26 -4.58 118.94 115.60 1mtb s TRP 42 Ca 0.58 0.74 -0.04 0.00 -1.06 0.00 0.00 56.10 56.32 1mtb s TRP 42 Cb -0.12 0.09 -0.05 0.00 -1.16 0.00 0.00 33.47 32.23 1mtb s TRP 42 CO 0.17 -0.17 0.34 0.15 -4.06 0.00 0.00 176.95 173.38 1mtb s LYS 43 N 0.46 3.58 0.47 3.25 -0.14 -0.89 -4.80 119.74 121.67 1mtb s LYS 43 Ca -0.03 -0.17 -0.20 0.00 -1.36 0.00 0.00 55.97 54.22 1mtb s LYS 43 Cb -0.04 -2.89 -0.09 0.00 -1.68 0.00 0.00 37.83 33.13 1mtb s LYS 43 CO -0.02 0.49 1.00 -2.14 -0.76 0.00 0.00 175.35 173.92 1mtb s PRO 44 N -2.65 3.97 0.11 -1.68 0.02 -1.26 -0.31 135.00 133.20 1mtb s PRO 44 Ca 0.40 1.22 -0.19 0.00 0.02 0.00 0.00 61.00 62.45 1mtb s PRO 44 Cb -0.12 -2.13 0.04 0.00 0.02 0.00 0.00 34.50 32.31 1mtb s PRO 44 CO 0.25 -0.27 0.46 0.21 -0.33 0.00 0.00 177.00 177.33 1mtb s LYS 45 N -3.31 1.08 -0.12 5.54 2.20 -0.34 -4.85 119.74 119.94 1mtb s LYS 45 Ca 0.64 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1mtb s LYS 45 Cb -0.13 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1mtb s LYS 45 CO 0.19 -0.42 -0.22 -1.64 -0.36 0.00 0.00 175.35 172.90 1mtb s MET 46 N -3.37 2.87 0.04 4.03 -1.94 -1.26 -0.58 119.30 119.10 1mtb s MET 46 Ca 0.00 -0.81 0.05 0.00 -1.71 0.00 0.00 55.69 53.22 1mtb s MET 46 Cb 0.01 -2.26 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 1mtb s MET 46 CO -0.09 0.06 -0.14 0.96 -0.01 0.00 0.00 175.02 175.81 1mtb s ILE 47 N 0.63 1.06 0.46 2.53 -4.36 -0.98 -4.97 121.20 115.57 1mtb s ILE 47 Ca -0.12 -1.04 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 1mtb s ILE 47 Cb -0.16 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.53 1mtb s ILE 47 CO 0.03 -0.06 0.07 -0.83 0.24 0.00 0.00 174.94 174.39 1mtb s GLY 48 N -1.25 2.67 0.00 6.27 0.00 -1.26 -1.45 107.32 112.29 1mtb s GLY 48 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1mtb s GLY 48 CO 0.01 -2.09 0.00 0.61 0.00 0.00 0.00 173.10 171.63 1mtb n GLY 49 N -1.20 1.87 3.74 0.20 0.00 -0.76 -4.97 105.19 104.06 1mtb n GLY 49 Ca -0.09 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1mtb n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mtb s ILE 50 N -1.75 3.37 0.00 -0.61 1.09 -1.26 -2.95 121.20 119.09 1mtb s ILE 50 Ca 0.00 1.14 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 1mtb s ILE 50 Cb 0.00 -3.73 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 1mtb s ILE 50 CO 0.00 0.18 0.00 0.61 -0.10 0.00 0.00 174.94 175.63 1mtb n GLY 51 N 2.24 2.02 0.00 6.18 0.00 -1.26 -4.97 105.19 109.40 1mtb n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1mtb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtb n GLY 52 N -2.00 0.61 3.76 -0.02 0.00 -1.15 -5.09 105.19 101.30 1mtb n GLY 52 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 1mtb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mtb s PHE 53 N -0.85 3.06 0.03 1.61 0.40 -1.26 -1.83 117.98 119.13 1mtb s PHE 53 Ca 0.00 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1mtb s PHE 53 Cb 0.00 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1mtb s PHE 53 CO 0.00 0.52 -0.04 0.96 0.70 0.00 0.00 175.22 177.36 1mtb s ILE 54 N -1.78 0.25 0.08 0.64 -4.36 -0.53 -4.97 121.20 110.53 1mtb s ILE 54 Ca 0.30 -0.91 -0.23 0.00 -0.26 0.00 0.00 60.65 59.56 1mtb s ILE 54 Cb -0.10 -0.36 -0.06 0.00 1.25 0.00 0.00 42.46 43.19 1mtb s ILE 54 CO 0.22 -0.43 0.68 -1.59 0.24 0.00 0.00 174.94 174.07 1mtb s LYS 55 N -1.40 4.41 0.11 0.37 0.00 -1.26 -2.32 119.74 119.64 1mtb s LYS 55 Ca -0.13 0.94 -0.00 0.00 0.00 0.00 0.00 55.97 56.78 1mtb s LYS 55 Cb -0.09 -3.30 -0.04 0.00 0.00 0.00 0.00 37.83 34.40 1mtb s LYS 55 CO -0.00 0.48 0.00 0.14 0.00 0.00 0.00 175.35 175.97 1mtb s VAL 56 N -0.67 0.31 -0.15 1.79 -7.23 0.26 -4.48 120.40 110.22 1mtb s VAL 56 Ca 0.34 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1mtb s VAL 56 Cb -0.21 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1mtb s VAL 56 CO 0.22 -0.70 0.08 -0.13 -0.31 0.00 0.00 175.10 174.26 1mtb s ARG 57 N -3.96 3.70 -0.24 4.82 0.52 0.57 -1.20 118.95 123.17 1mtb s ARG 57 Ca 0.17 -0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 1mtb s ARG 57 Cb 0.07 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 1mtb s ARG 57 CO -0.03 0.47 0.16 -1.14 0.02 0.00 0.00 175.30 174.79 1mtb s GLN 58 N -0.19 4.08 -0.11 3.54 0.74 0.58 -0.82 119.66 127.48 1mtb s GLN 58 Ca 0.08 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1mtb s GLN 58 Cb -0.12 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.45 1mtb s GLN 58 CO 0.01 0.07 -0.17 0.71 -0.55 0.00 0.00 175.29 175.36 1mtb s TYR 59 N 1.03 2.71 0.34 1.67 1.51 -0.56 -2.10 117.35 121.95 1mtb s TYR 59 Ca 0.08 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1mtb s TYR 59 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1mtb s TYR 59 CO 0.04 -0.25 0.52 -0.51 -1.11 0.00 0.00 175.55 174.25 1mtb s ASP 60 N 0.24 6.19 -1.08 2.29 1.01 -1.26 -0.42 116.67 123.65 1mtb s ASP 60 Ca -0.11 0.28 -0.31 0.00 0.71 0.00 0.00 52.55 53.12 1mtb s ASP 60 Cb -0.16 -1.84 0.04 0.00 1.01 0.00 0.00 42.92 41.98 1mtb s ASP 60 CO 0.06 -0.33 0.60 0.00 0.21 0.00 0.00 175.17 175.72 1mtb n GLN 61 N -1.74 -0.30 -3.56 8.23 6.02 -1.05 -4.86 117.38 120.11 1mtb n GLN 61 Ca -0.04 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 1mtb n GLN 61 Cb 0.57 -2.05 -0.09 0.00 1.02 0.00 0.00 30.24 29.68 1mtb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mtb s ILE 62 N -3.68 5.30 -0.12 5.09 -1.09 0.65 -4.75 121.20 122.60 1mtb s ILE 62 Ca 0.44 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.89 1mtb s ILE 62 Cb -0.24 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1mtb s ILE 62 CO 0.87 0.29 1.34 -2.84 -1.23 0.00 0.00 174.94 173.38 1mtb s PRO 63 N 1.31 4.24 -0.02 2.79 0.02 -1.26 -2.27 135.00 139.81 1mtb s PRO 63 Ca 0.11 1.79 0.05 0.00 0.02 0.00 0.00 61.00 62.97 1mtb s PRO 63 Cb -0.14 -3.77 -0.01 0.00 0.02 0.00 0.00 34.50 30.60 1mtb s PRO 63 CO 0.07 -0.69 -0.17 0.08 -0.33 0.00 0.00 177.00 175.95 1mtb s VAL 64 N 3.37 1.36 -0.25 3.83 1.01 0.11 -4.34 120.40 125.49 1mtb s VAL 64 Ca 0.59 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1mtb s VAL 64 Cb -0.25 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1mtb s VAL 64 CO 0.19 0.39 -0.05 -0.70 0.00 0.00 0.00 175.10 174.93 1mtb s GLU 65 N -0.36 2.96 -0.29 2.72 2.12 0.04 -0.20 118.70 125.69 1mtb s GLU 65 Ca 0.06 -0.90 -0.09 0.00 0.36 0.00 0.00 54.97 54.40 1mtb s GLU 65 Cb -0.07 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1mtb s GLU 65 CO -0.00 -0.36 0.13 0.42 -0.54 0.00 0.00 175.26 174.90 1mtb s ILE 66 N 1.37 4.54 -1.14 -3.70 1.01 0.17 0.33 121.20 123.77 1mtb s ILE 66 Ca 0.02 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 1mtb s ILE 66 Cb -0.16 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1mtb s ILE 66 CO -0.04 0.17 0.40 0.00 0.00 0.00 0.00 174.94 175.46 1mtb n GLY 68 N -2.09 2.22 3.80 0.00 0.00 -1.26 -5.01 105.19 102.85 1mtb n GLY 68 Ca -0.16 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1mtb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mtb s HIS 69 N -0.75 3.01 -0.11 1.61 4.02 0.11 -5.04 115.29 118.14 1mtb s HIS 69 Ca 0.00 1.57 0.00 0.00 1.02 0.00 0.00 55.06 57.66 1mtb s HIS 69 Cb 0.00 -3.05 -0.02 0.00 -1.02 0.00 0.00 32.58 28.49 1mtb s HIS 69 CO 0.00 -0.81 -0.11 -1.59 1.02 0.00 0.00 174.74 173.26 1mtb s LYS 70 N -3.28 3.14 0.25 1.40 0.00 -1.26 0.44 119.74 120.44 1mtb s LYS 70 Ca 0.67 -0.64 0.02 0.00 0.00 0.00 0.00 55.97 56.02 1mtb s LYS 70 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 37.83 35.02 1mtb s LYS 70 CO 0.20 0.38 0.19 0.00 0.00 0.00 0.00 175.35 176.13 1mtb s ALA 71 N -0.07 1.43 -0.29 0.59 0.00 0.72 -4.86 121.76 119.28 1mtb s ALA 71 Ca -0.01 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.00 1mtb s ALA 71 Cb -0.14 1.42 0.12 0.00 0.00 0.00 0.00 23.12 24.53 1mtb s ALA 71 CO 0.03 -0.62 0.64 -1.50 0.00 0.00 0.00 175.76 174.31 1mtb s ILE 72 N -3.87 -0.86 0.00 0.00 2.07 -1.26 -0.71 121.20 116.57 1mtb s ILE 72 Ca 0.40 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 1mtb s ILE 72 Cb 0.05 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1mtb s ILE 72 CO 0.18 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.83 1mtb n GLY 73 N 5.31 1.82 3.75 1.50 0.00 -0.96 -4.83 105.19 111.78 1mtb n GLY 73 Ca -0.13 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1mtb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mtb s THR 74 N -2.50 3.71 -0.09 2.61 2.01 -1.26 -0.26 115.64 119.86 1mtb s THR 74 Ca 0.00 1.66 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 1mtb s THR 74 Cb 0.00 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.48 1mtb s THR 74 CO 0.00 0.37 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.58 1mtb s VAL 75 N -0.94 0.66 -0.08 3.82 1.01 0.45 -4.53 120.40 120.78 1mtb s VAL 75 Ca 0.45 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1mtb s VAL 75 Cb -0.30 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1mtb s VAL 75 CO 0.38 0.30 0.33 -0.76 0.00 0.00 0.00 175.10 175.35 1mtb s LEU 76 N 1.79 4.37 -0.07 3.92 1.43 -0.29 -1.50 118.68 128.34 1mtb s LEU 76 Ca 0.04 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1mtb s LEU 76 Cb -0.13 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 1mtb s LEU 76 CO -0.06 0.25 -0.23 -0.69 0.23 0.00 0.00 176.35 175.85 1mtb s VAL 77 N -0.46 1.89 -0.00 -1.59 1.01 0.00 -0.93 120.40 120.33 1mtb s VAL 77 Ca 0.20 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1mtb s VAL 77 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1mtb s VAL 77 CO 0.08 0.53 0.03 0.61 0.00 0.00 0.00 175.10 176.35 1mtb n GLY 78 N 3.23 0.56 3.19 4.51 0.00 -1.10 -0.31 105.19 115.27 1mtb n GLY 78 Ca -0.18 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1mtb n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mtb n PRO 79 N -0.02 0.75 -4.94 1.61 -0.02 -1.26 -2.37 135.00 128.74 1mtb n PRO 79 Ca 0.00 -1.26 -0.33 0.00 -2.02 0.00 0.00 63.50 59.89 1mtb n PRO 79 Cb 0.01 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 30.80 1mtb n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1mtb s THR 80 N 5.61 2.95 0.31 3.45 -1.32 -1.26 -5.02 115.64 120.36 1mtb s THR 80 Ca 0.51 -0.77 0.28 0.00 -1.21 0.00 0.00 61.69 60.51 1mtb s THR 80 Cb 0.12 -2.14 0.29 0.00 -1.51 0.00 0.00 72.50 69.26 1mtb s THR 80 CO 0.18 0.59 2.00 1.55 -2.21 0.00 0.00 174.62 176.72 1mtb h PRO 81 N 5.40 0.00 -3.68 7.08 0.13 -1.98 -3.43 132.00 135.52 1mtb h PRO 81 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1mtb h PRO 81 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1mtb h PRO 81 CO 0.50 0.14 -0.33 0.54 -0.23 0.00 0.00 178.00 178.61 1mtb s VAL 82 N -3.97 0.12 -0.21 1.56 0.11 -1.26 -5.05 120.40 111.71 1mtb s VAL 82 Ca -0.02 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 1mtb s VAL 82 Cb 0.12 -1.21 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1mtb s VAL 82 CO 0.59 -0.57 1.07 0.20 -3.33 0.00 0.00 175.10 173.07 1mtb s ASN 83 N -2.65 7.08 -0.28 3.54 0.01 -1.26 -4.55 114.94 116.84 1mtb s ASN 83 Ca 0.02 1.44 -0.05 0.00 -0.71 0.00 0.00 52.86 53.55 1mtb s ASN 83 Cb 0.03 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1mtb s ASN 83 CO -0.09 -0.67 0.04 -0.63 -1.51 0.00 0.00 177.10 174.24 1mtb s ILE 84 N 3.18 3.68 -0.35 0.60 1.09 0.26 -0.60 121.20 129.06 1mtb s ILE 84 Ca 0.46 -0.76 -0.18 0.00 -1.10 0.00 0.00 60.65 59.07 1mtb s ILE 84 Cb -0.16 -2.88 -0.00 0.00 -1.06 0.00 0.00 42.46 38.35 1mtb s ILE 84 CO 0.08 0.13 0.50 -0.63 -0.10 0.00 0.00 174.94 174.92 1mtb s ILE 85 N 1.46 5.03 0.57 2.92 1.01 -0.48 -0.21 121.20 131.49 1mtb s ILE 85 Ca 0.02 0.34 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1mtb s ILE 85 Cb -0.17 -3.95 0.11 0.00 0.01 0.00 0.00 42.46 38.46 1mtb s ILE 85 CO 0.01 -0.20 0.78 0.61 0.00 0.00 0.00 174.94 176.13 1mtb n GLY 86 N 4.79 0.65 0.30 6.18 0.00 -1.16 -1.37 105.19 114.59 1mtb n GLY 86 Ca -0.05 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 44.02 1mtb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mtb h ARG 87 N 0.00 0.40 -0.97 1.61 3.08 -0.95 -2.28 114.38 115.27 1mtb h ARG 87 Ca -0.26 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 59.94 1mtb h ARG 87 Cb 0.95 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.82 1mtb h ARG 87 CO 0.27 0.26 0.61 -2.95 -1.07 0.00 0.00 179.97 177.10 1mtb h ASN 88 N 0.41 0.72 0.26 7.04 -1.07 -1.78 -1.19 115.58 119.97 1mtb h ASN 88 Ca 0.13 0.07 -0.33 0.00 0.07 0.00 0.00 56.30 56.24 1mtb h ASN 88 Cb 0.03 -0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 36.16 1mtb h ASN 88 CO -0.03 0.30 -1.99 0.18 0.07 0.00 0.00 177.43 175.97 1mtb n LEU 89 N -4.66 1.30 -0.18 6.14 4.77 -1.07 -4.22 117.00 119.09 1mtb n LEU 89 Ca 0.21 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1mtb n LEU 89 Cb 0.54 -0.16 0.30 0.00 -2.33 0.00 0.00 43.42 41.77 1mtb n LEU 89 CO 0.25 0.57 1.22 -0.07 -1.33 0.00 0.00 177.39 178.04 1mtb h LEU 90 N 0.02 0.76 -1.30 2.23 3.38 -0.83 -1.02 115.31 118.56 1mtb h LEU 90 Ca -0.40 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1mtb h LEU 90 Cb 2.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1mtb h LEU 90 CO 0.06 0.54 0.02 0.71 0.09 0.00 0.00 178.44 179.85 1mtb h THR 91 N 0.89 1.18 0.00 0.22 1.35 -1.42 -2.49 112.91 112.64 1mtb h THR 91 Ca 0.27 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1mtb h THR 91 Cb -0.00 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1mtb h THR 91 CO -0.07 0.24 0.00 1.56 -0.25 0.00 0.00 175.52 177.00 1mtb h GLN 92 N 0.48 0.00 -0.34 4.72 4.20 -1.36 -2.83 115.11 119.99 1mtb h GLN 92 Ca 0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1mtb h GLN 92 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1mtb h GLN 92 CO 0.01 0.00 0.02 0.44 -0.67 0.00 0.00 178.83 178.62 1mtb n ILE 93 N -3.05 2.43 -2.74 2.54 -5.35 -0.97 -4.89 119.36 107.33 1mtb n ILE 93 Ca 0.00 -2.11 -0.21 0.00 -0.27 0.00 0.00 62.75 60.16 1mtb n ILE 93 Cb 0.27 -0.29 0.01 0.00 -1.74 0.00 0.00 39.64 37.90 1mtb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mtb n GLY 94 N -0.68 -0.51 3.74 3.28 0.00 -1.07 -4.98 105.19 104.98 1mtb n GLY 94 Ca 0.27 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 1mtb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtb s THR 96 N -0.51 0.27 -0.08 0.00 -4.23 -1.26 -4.74 115.64 105.09 1mtb s THR 96 Ca 0.42 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1mtb s THR 96 Cb -0.24 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1mtb s THR 96 CO 0.29 -0.58 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.00 1mtb s LEU 97 N -3.05 3.41 -0.05 4.79 1.43 -1.26 -5.09 118.68 118.86 1mtb s LEU 97 Ca 0.21 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1mtb s LEU 97 Cb 0.07 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1mtb s LEU 97 CO -0.00 0.37 0.10 0.20 0.23 0.00 0.00 176.35 177.25 1mtb s ASN 98 N -0.81 -0.07 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.92 1mtb s ASN 98 Ca 0.12 0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.62 1mtb s ASN 98 Cb -0.11 0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.25 1mtb s ASN 98 CO 0.02 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.66