#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttb n PRO 2 N 0.00 -1.09 0.00 1.61 -0.02 -1.26 -5.09 135.00 129.15 1ttb n PRO 2 Ca 0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1ttb n PRO 2 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 1ttb n PRO 2 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1ttb n THR 3 N -2.60 0.00 -0.52 3.45 5.66 -1.26 -4.65 114.28 114.36 1ttb n THR 3 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1ttb n THR 3 Cb 0.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1ttb n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttb n GLY 4 N 0.00 2.30 2.13 1.09 0.00 0.75 -4.64 105.19 106.82 1ttb n GLY 4 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1ttb n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ttb n THR 5 N 0.00 3.18 0.00 2.61 5.66 -0.94 -4.53 114.28 120.25 1ttb n THR 5 Ca 0.00 -2.20 0.00 0.00 -3.05 0.00 0.00 64.05 58.80 1ttb n THR 5 Cb 0.00 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 1ttb n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttb n GLY 6 N -0.59 -1.86 3.55 1.09 0.00 -0.45 -4.43 105.19 102.50 1ttb n GLY 6 Ca 0.51 0.91 -0.41 0.00 0.00 0.00 0.00 46.02 47.03 1ttb n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ttb s GLU 7 N 0.00 3.21 0.00 1.61 -6.30 -1.21 -3.39 118.70 112.62 1ttb s GLU 7 Ca 0.00 -0.33 0.00 0.00 -2.50 0.00 0.00 54.97 52.14 1ttb s GLU 7 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 34.13 29.73 1ttb s GLU 7 CO 0.00 -2.21 0.00 0.43 0.02 0.00 0.00 175.26 173.50 1ttb n SER 8 N 9.57 0.00 -4.70 -1.70 7.64 -1.26 -5.06 113.62 118.11 1ttb n SER 8 Ca 0.10 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.54 1ttb n SER 8 Cb 0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1ttb n SER 8 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ttb n LYS 9 N 0.00 2.40 -3.26 1.43 4.01 -1.26 -4.88 118.16 116.60 1ttb n LYS 9 Ca 0.00 0.86 -0.46 0.00 -0.51 0.00 0.00 58.31 58.20 1ttb n LYS 9 Cb 0.00 -2.61 -0.05 0.00 -0.51 0.00 0.00 35.03 31.86 1ttb n LYS 9 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ttb h PRO 11 N 8.89 0.00 -3.64 0.00 0.13 -1.87 -3.45 132.00 132.07 1ttb h PRO 11 Ca -0.27 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.46 1ttb h PRO 11 Cb 1.09 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.85 1ttb h PRO 11 CO 1.04 0.21 -0.76 -1.17 -0.23 0.00 0.00 178.00 177.09 1ttb s LEU 12 N -6.35 0.65 0.01 1.56 2.96 -1.26 -0.24 118.68 116.02 1ttb s LEU 12 Ca 0.05 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1ttb s LEU 12 Cb 0.07 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 1ttb s LEU 12 CO 0.69 -0.18 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.34 1ttb s MET 13 N 1.75 1.21 -0.04 1.98 -1.94 0.01 -4.51 119.30 117.77 1ttb s MET 13 Ca 0.01 -0.67 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1ttb s MET 13 Cb -0.13 -1.21 -0.02 0.00 2.01 0.00 0.00 34.83 35.49 1ttb s MET 13 CO -0.04 0.32 -0.25 0.08 -0.01 0.00 0.00 175.02 175.12 1ttb s VAL 14 N -0.56 2.03 -0.02 -6.03 1.01 -0.54 -1.43 120.40 114.86 1ttb s VAL 14 Ca 0.05 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ttb s VAL 14 Cb -0.07 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1ttb s VAL 14 CO 0.00 0.57 -0.07 -0.75 0.00 0.00 0.00 175.10 174.85 1ttb s LYS 15 N -0.38 0.82 -0.06 2.72 2.20 -0.34 -0.74 119.74 123.96 1ttb s LYS 15 Ca 0.03 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1ttb s LYS 15 Cb -0.12 -0.79 0.01 0.00 -1.51 0.00 0.00 37.83 35.43 1ttb s LYS 15 CO 0.01 0.08 -0.13 0.08 -0.36 0.00 0.00 175.35 175.03 1ttb s VAL 16 N 0.27 1.15 0.15 4.02 1.01 0.65 -1.45 120.40 126.19 1ttb s VAL 16 Ca -0.04 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1ttb s VAL 16 Cb -0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1ttb s VAL 16 CO 0.00 0.35 -0.25 -0.76 0.00 0.00 0.00 175.10 174.45 1ttb s LEU 17 N 0.54 2.36 -0.28 3.92 1.43 -0.40 -1.48 118.68 124.77 1ttb s LEU 17 Ca -0.12 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1ttb s LEU 17 Cb -0.15 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1ttb s LEU 17 CO 0.03 0.14 0.09 -0.62 0.23 0.00 0.00 176.35 176.22 1ttb s ASP 18 N -2.25 5.18 0.00 2.29 -1.08 0.11 -0.90 116.67 120.02 1ttb s ASP 18 Ca 0.15 -0.50 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 1ttb s ASP 18 Cb -0.09 -1.91 1.15 0.00 -1.46 0.00 0.00 42.92 40.60 1ttb s ASP 18 CO 0.07 -0.14 1.85 0.00 0.52 0.00 0.00 175.17 177.47 1ttb n ALA 19 N 4.91 2.60 0.03 3.66 0.00 0.07 -1.54 120.51 130.24 1ttb n ALA 19 Ca -0.15 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1ttb n ALA 19 Cb 0.49 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1ttb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttb h VAL 20 N 0.05 0.74 0.00 0.00 2.07 -1.95 -3.40 116.25 113.77 1ttb h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1ttb h VAL 20 Cb 0.46 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1ttb h VAL 20 CO 0.00 0.87 -1.04 0.54 0.02 0.00 0.00 177.57 177.96 1ttb n ARG 21 N -3.55 0.80 -3.20 1.57 1.74 -1.25 -5.00 116.66 107.76 1ttb n ARG 21 Ca -0.29 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.61 1ttb n ARG 21 Cb 1.05 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 31.17 1ttb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttb n GLY 22 N 1.43 -0.23 3.33 -0.13 0.00 -0.59 -5.02 105.19 103.99 1ttb n GLY 22 Ca 0.02 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1ttb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ttb s SER 23 N -4.04 0.09 0.44 1.61 1.04 -1.09 -5.00 113.70 106.75 1ttb s SER 23 Ca 0.05 -1.24 -0.25 0.00 0.48 0.00 0.00 55.95 54.99 1ttb s SER 23 Cb -0.02 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 1ttb s SER 23 CO 0.60 -0.94 1.27 -2.84 0.98 0.00 0.00 173.24 172.31 1ttb s PRO 24 N -4.10 3.81 -0.50 4.02 0.02 -1.26 0.10 135.00 137.09 1ttb s PRO 24 Ca 0.34 2.06 -0.20 0.00 0.02 0.00 0.00 61.00 63.22 1ttb s PRO 24 Cb 0.04 -2.61 0.05 0.00 0.02 0.00 0.00 34.50 32.01 1ttb s PRO 24 CO 0.11 -0.59 0.67 0.00 -0.33 0.00 0.00 177.00 176.86 1ttb s ALA 25 N -1.34 3.35 0.09 -1.55 0.00 -0.55 -4.64 121.76 117.12 1ttb s ALA 25 Ca 0.60 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1ttb s ALA 25 Cb -0.36 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 1ttb s ALA 25 CO 0.45 -2.03 0.44 0.42 0.00 0.00 0.00 175.76 175.04 1ttb s ILE 26 N 2.82 5.03 -1.42 0.00 1.01 -1.26 -4.39 121.20 122.99 1ttb s ILE 26 Ca 0.18 0.58 -0.09 0.00 0.00 0.00 0.00 60.65 61.32 1ttb s ILE 26 Cb -0.18 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ttb s ILE 26 CO 0.14 0.30 1.05 0.59 0.00 0.00 0.00 174.94 177.02 1ttb n ASN 27 N 0.96 -6.06 -4.74 3.58 5.03 -0.34 -4.93 115.26 108.77 1ttb n ASN 27 Ca -0.08 -0.54 -0.38 0.00 0.87 0.00 0.00 54.58 54.46 1ttb n ASN 27 Cb 0.52 -4.80 -0.06 0.00 -1.02 0.00 0.00 39.78 34.42 1ttb n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ttb s VAL 28 N -3.29 5.15 0.19 2.41 1.01 -1.26 -4.76 120.40 119.85 1ttb s VAL 28 Ca 0.56 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1ttb s VAL 28 Cb -0.25 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1ttb s VAL 28 CO 0.69 0.38 1.09 0.00 0.00 0.00 0.00 175.10 177.25 1ttb s ALA 29 N 0.29 3.37 -0.06 5.51 0.00 -1.26 -1.13 121.76 128.47 1ttb s ALA 29 Ca 0.25 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1ttb s ALA 29 Cb -0.15 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ttb s ALA 29 CO 0.11 -0.18 -0.06 0.08 0.00 0.00 0.00 175.76 175.71 1ttb s VAL 30 N -0.37 0.71 -0.07 0.00 1.01 0.63 -1.29 120.40 121.01 1ttb s VAL 30 Ca 0.48 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1ttb s VAL 30 Cb -0.29 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1ttb s VAL 30 CO 0.35 0.27 -0.19 -1.00 0.00 0.00 0.00 175.10 174.53 1ttb s HIS 31 N 1.03 2.59 -0.06 5.22 3.76 -0.35 -0.98 115.29 126.50 1ttb s HIS 31 Ca -0.09 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 1ttb s HIS 31 Cb -0.14 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 1ttb s HIS 31 CO -0.00 -0.12 -0.17 0.08 -0.85 0.00 0.00 174.74 173.68 1ttb s VAL 32 N -0.18 2.78 0.10 -0.90 1.01 0.14 -0.61 120.40 122.75 1ttb s VAL 32 Ca -0.02 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1ttb s VAL 32 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1ttb s VAL 32 CO 0.03 0.58 -0.15 -0.36 0.00 0.00 0.00 175.10 175.21 1ttb s PHE 33 N -0.51 1.35 -0.07 5.22 0.40 0.24 -0.55 117.98 124.06 1ttb s PHE 33 Ca 0.07 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1ttb s PHE 33 Cb -0.12 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 1ttb s PHE 33 CO 0.01 0.11 -0.20 0.50 0.70 0.00 0.00 175.22 176.34 1ttb s ARG 34 N -2.21 2.72 -0.04 0.44 3.52 -0.28 -0.99 118.95 122.11 1ttb s ARG 34 Ca 0.04 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 1ttb s ARG 34 Cb -0.07 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1ttb s ARG 34 CO 0.03 0.41 1.22 0.21 -0.81 0.00 0.00 175.30 176.36 1ttb s LYS 35 N -0.20 4.35 0.55 5.12 2.20 0.76 -1.06 119.74 131.47 1ttb s LYS 35 Ca -0.01 1.72 0.02 0.00 -0.36 0.00 0.00 55.97 57.33 1ttb s LYS 35 Cb -0.13 -3.54 0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1ttb s LYS 35 CO 0.03 -0.44 0.78 0.00 -0.36 0.00 0.00 175.35 175.36 1ttb s ALA 36 N 2.11 3.96 0.48 3.13 0.00 0.27 -4.69 121.76 127.02 1ttb s ALA 36 Ca 0.57 -1.42 0.28 0.00 0.00 0.00 0.00 51.96 51.40 1ttb s ALA 36 Cb -0.26 -2.01 1.35 0.00 0.00 0.00 0.00 23.12 22.20 1ttb s ALA 36 CO 0.23 -0.77 1.82 0.00 0.00 0.00 0.00 175.76 177.04 1ttb h ALA 37 N 0.07 2.70 -0.52 0.00 0.00 -1.94 -0.07 119.26 119.49 1ttb h ALA 37 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ttb h ALA 37 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ttb h ALA 37 CO 0.50 -1.04 0.00 -0.40 0.00 0.00 0.00 179.25 178.31 1ttb n ASP 38 N -4.37 2.98 -0.40 0.00 5.75 -1.26 -4.88 116.55 114.36 1ttb n ASP 38 Ca 0.23 -2.05 -0.05 0.00 -0.01 0.00 0.00 54.79 52.91 1ttb n ASP 38 Cb 1.02 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.71 1ttb n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ttb n ASP 39 N 1.01 -3.46 -4.88 -1.12 -0.08 -0.04 -5.03 116.55 102.95 1ttb n ASP 39 Ca 0.18 0.11 -0.24 0.00 -1.51 0.00 0.00 54.79 53.33 1ttb n ASP 39 Cb 0.49 -1.54 -0.04 0.00 2.34 0.00 0.00 41.12 42.37 1ttb n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1ttb s THR 40 N -2.19 4.88 -0.26 5.18 -4.23 -1.25 -4.86 115.64 112.92 1ttb s THR 40 Ca 0.00 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.31 1ttb s THR 40 Cb 0.00 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 1ttb s THR 40 CO 0.00 -0.19 0.58 0.26 -0.54 0.00 0.00 174.62 174.73 1ttb s TRP 41 N -1.87 3.27 -0.26 3.99 0.52 -1.26 0.93 118.94 124.27 1ttb s TRP 41 Ca 0.33 0.74 -0.11 0.00 0.02 0.00 0.00 56.10 57.08 1ttb s TRP 41 Cb -0.10 -2.80 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 1ttb s TRP 41 CO 0.26 -0.31 0.17 -2.00 0.02 0.00 0.00 176.95 175.09 1ttb s GLU 42 N 2.43 4.01 0.19 4.98 2.12 -0.22 -4.90 118.70 127.30 1ttb s GLU 42 Ca 0.24 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1ttb s GLU 42 Cb -0.16 -3.60 -0.17 0.00 0.26 0.00 0.00 34.13 30.47 1ttb s GLU 42 CO 0.09 -0.06 0.75 -2.30 -0.54 0.00 0.00 175.26 173.20 1ttb n PRO 43 N 4.66 0.39 0.03 4.30 -0.02 -1.26 -1.13 135.00 141.98 1ttb n PRO 43 Ca -0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1ttb n PRO 43 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1ttb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ttb n PHE 44 N 0.39 -0.46 -3.65 6.00 7.35 0.29 -4.73 117.46 122.65 1ttb n PHE 44 Ca 0.16 0.08 -0.09 0.00 -0.76 0.00 0.00 57.45 56.85 1ttb n PHE 44 Cb 0.24 0.28 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1ttb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ttb s ALA 45 N -2.00 -1.47 0.26 3.13 0.00 -0.86 -4.88 121.76 115.95 1ttb s ALA 45 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1ttb s ALA 45 Cb 0.00 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1ttb s ALA 45 CO 0.00 -0.91 0.77 -1.54 0.00 0.00 0.00 175.76 174.08 1ttb s SER 46 N -2.82 -0.23 0.00 0.00 1.04 -1.26 0.27 113.70 110.70 1ttb s SER 46 Ca 0.07 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1ttb s SER 46 Cb -0.03 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1ttb s SER 46 CO -0.03 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1ttb n GLY 47 N -0.47 -1.45 3.11 7.32 0.00 -0.15 -4.56 105.19 108.98 1ttb n GLY 47 Ca -0.04 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1ttb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttb s LYS 48 N -1.17 1.48 0.48 1.61 1.02 -1.26 -0.27 119.74 121.64 1ttb s LYS 48 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 1ttb s LYS 48 Cb 0.00 -1.34 -0.07 0.00 -0.52 0.00 0.00 37.83 35.91 1ttb s LYS 48 CO 0.00 0.24 1.30 0.95 -0.92 0.00 0.00 175.35 176.92 1ttb s THR 49 N -0.03 2.47 0.39 2.17 -4.23 -0.29 -4.84 115.64 111.28 1ttb s THR 49 Ca -0.01 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1ttb s THR 49 Cb -0.10 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.63 1ttb s THR 49 CO 0.01 0.01 0.53 -1.54 -0.54 0.00 0.00 174.62 173.09 1ttb n SER 50 N -0.57 0.10 0.28 3.99 3.41 -0.07 -1.19 113.62 119.57 1ttb n SER 50 Ca 0.08 -1.23 0.11 0.00 -0.26 0.00 0.00 58.87 57.57 1ttb n SER 50 Cb 0.45 -0.40 0.77 0.00 -0.26 0.00 0.00 64.21 64.77 1ttb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ttb h GLU 51 N 0.00 0.00 -0.41 4.33 4.39 -1.94 0.30 114.58 121.25 1ttb h GLU 51 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1ttb h GLU 51 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ttb h GLU 51 CO 0.13 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.85 1ttb n SER 52 N -4.21 2.25 -0.49 1.42 3.41 -1.26 -4.77 113.62 109.98 1ttb n SER 52 Ca -0.03 -1.98 -0.06 0.00 -0.26 0.00 0.00 58.87 56.53 1ttb n SER 52 Cb 0.09 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1ttb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ttb n GLY 53 N 1.18 0.87 3.59 5.00 0.00 0.10 -4.83 105.19 111.08 1ttb n GLY 53 Ca 0.14 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1ttb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ttb s GLU 54 N -2.43 2.10 -0.10 1.61 2.02 -1.26 -0.26 118.70 120.39 1ttb s GLU 54 Ca 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1ttb s GLU 54 Cb 0.00 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1ttb s GLU 54 CO 0.00 0.36 0.06 -1.17 0.02 0.00 0.00 175.26 174.53 1ttb s LEU 55 N -3.60 0.31 0.38 1.80 0.20 0.08 -0.89 118.68 116.96 1ttb s LEU 55 Ca 0.31 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.95 1ttb s LEU 55 Cb -0.06 -0.23 -0.06 0.00 -0.43 0.00 0.00 46.19 45.41 1ttb s LEU 55 CO 0.18 -0.28 0.04 -1.00 -0.29 0.00 0.00 176.35 175.00 1ttb s HIS 56 N 2.12 2.11 -0.99 5.38 3.76 -1.26 -1.47 115.29 124.94 1ttb s HIS 56 Ca 0.04 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1ttb s HIS 56 Cb -0.14 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1ttb s HIS 56 CO -0.06 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 1ttb n GLY 57 N -0.87 0.18 0.16 -2.22 0.00 -1.26 -3.83 105.19 97.35 1ttb n GLY 57 Ca -0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1ttb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ttb h LEU 58 N 0.00 0.35 0.00 0.99 3.38 -1.79 0.25 115.31 118.49 1ttb h LEU 58 Ca -0.26 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1ttb h LEU 58 Cb 1.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ttb h LEU 58 CO 0.31 0.96 0.18 1.07 0.09 0.00 0.00 178.44 181.06 1ttb n THR 59 N -3.80 0.00 -4.42 0.22 5.66 -1.22 -2.22 114.28 108.49 1ttb n THR 59 Ca -0.03 -1.04 -0.21 0.00 -3.05 0.00 0.00 64.05 59.71 1ttb n THR 59 Cb 0.70 0.93 -0.10 0.00 -1.55 0.00 0.00 70.33 70.31 1ttb n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ttb s THR 60 N -2.29 1.98 0.33 1.09 -4.23 -1.26 -4.44 115.64 106.82 1ttb s THR 60 Ca 0.17 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 1ttb s THR 60 Cb -0.04 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.80 1ttb s THR 60 CO 0.12 -0.43 1.98 -0.33 -0.54 0.00 0.00 174.62 175.42 1ttb h GLU 61 N 2.36 0.94 -0.56 3.99 5.08 -1.93 -1.90 114.58 122.55 1ttb h GLU 61 Ca -0.39 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ttb h GLU 61 Cb 1.24 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1ttb h GLU 61 CO 0.63 0.62 0.29 1.49 -1.00 0.00 0.00 179.01 181.05 1ttb h GLU 62 N 0.97 0.79 0.00 2.33 4.22 -1.96 -3.15 114.58 117.78 1ttb h GLU 62 Ca 0.28 -0.10 -0.16 0.00 0.08 0.00 0.00 59.36 59.46 1ttb h GLU 62 Cb -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1ttb h GLU 62 CO -0.07 0.62 -0.76 0.93 -2.18 0.00 0.00 179.01 177.55 1ttb h GLU 63 N 0.76 0.00 -4.41 1.92 5.08 -1.93 -3.41 114.58 112.59 1ttb h GLU 63 Ca 0.20 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.84 1ttb h GLU 63 Cb 0.07 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1ttb h GLU 63 CO -0.03 0.76 2.65 0.34 -1.00 0.00 0.00 179.01 181.74 1ttb n PHE 64 N -3.30 3.80 -2.44 4.33 7.35 -0.73 -4.95 117.46 121.52 1ttb n PHE 64 Ca 0.01 -2.94 -0.25 0.00 -0.76 0.00 0.00 57.45 53.51 1ttb n PHE 64 Cb 0.84 -2.47 0.04 0.00 0.35 0.00 0.00 39.48 38.24 1ttb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ttb s VAL 65 N 2.94 3.04 0.47 -2.13 -7.23 -1.26 -4.95 120.40 111.28 1ttb s VAL 65 Ca 0.47 -0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.15 1ttb s VAL 65 Cb 0.10 -3.22 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 1ttb s VAL 65 CO -0.03 -0.21 1.03 -0.62 -0.31 0.00 0.00 175.10 174.96 1ttb n GLU 66 N -2.60 1.31 -2.99 4.82 1.02 -1.26 -4.89 120.64 116.05 1ttb n GLU 66 Ca 0.06 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1ttb n GLU 66 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1ttb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ttb n GLY 67 N 1.16 -1.76 3.75 0.62 0.00 -1.08 -4.97 105.19 102.91 1ttb n GLY 67 Ca 0.10 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1ttb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttb s ILE 68 N -1.91 5.26 0.13 -0.61 1.01 -1.26 -1.24 121.20 122.57 1ttb s ILE 68 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.87 1ttb s ILE 68 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1ttb s ILE 68 CO 0.00 0.50 -0.22 -0.31 0.00 0.00 0.00 174.94 174.90 1ttb s TYR 69 N -0.04 1.98 -0.08 3.97 1.51 -0.24 -0.17 117.35 124.27 1ttb s TYR 69 Ca 0.09 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1ttb s TYR 69 Cb -0.12 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1ttb s TYR 69 CO 0.00 0.29 -0.13 0.21 -1.11 0.00 0.00 175.55 174.81 1ttb s LYS 70 N -2.14 1.89 -0.23 -0.62 2.20 -0.16 -1.34 119.74 119.34 1ttb s LYS 70 Ca 0.11 -0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1ttb s LYS 70 Cb -0.09 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.60 1ttb s LYS 70 CO 0.06 -0.03 0.02 0.08 -0.36 0.00 0.00 175.35 175.12 1ttb s VAL 71 N 0.87 3.97 -0.18 4.02 1.01 0.75 -0.60 120.40 130.24 1ttb s VAL 71 Ca -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1ttb s VAL 71 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1ttb s VAL 71 CO 0.01 0.38 -0.06 -0.70 0.00 0.00 0.00 175.10 174.74 1ttb s GLU 72 N 1.45 3.48 -0.20 2.72 2.12 0.22 -0.13 118.70 128.36 1ttb s GLU 72 Ca 0.05 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.76 1ttb s GLU 72 Cb -0.15 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 1ttb s GLU 72 CO 0.01 0.03 -0.08 0.42 -0.54 0.00 0.00 175.26 175.10 1ttb s ILE 73 N 0.88 3.12 -1.17 -3.70 1.01 0.36 -1.21 121.20 120.49 1ttb s ILE 73 Ca -0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1ttb s ILE 73 Cb -0.15 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 40.02 1ttb s ILE 73 CO 0.01 0.46 1.55 -0.62 0.00 0.00 0.00 174.94 176.34 1ttb s ASP 74 N 1.24 6.74 0.17 3.58 2.15 -0.41 -1.35 116.67 128.78 1ttb s ASP 74 Ca 0.03 -2.17 0.05 0.00 0.43 0.00 0.00 52.55 50.89 1ttb s ASP 74 Cb -0.14 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 1ttb s ASP 74 CO -0.03 -1.21 1.38 0.71 -0.17 0.00 0.00 175.17 175.84 1ttb h THR 75 N 5.86 1.56 -0.47 1.71 1.35 -1.88 -3.21 112.91 117.83 1ttb h THR 75 Ca 0.33 -2.81 -0.01 0.00 -0.55 0.00 0.00 66.41 63.37 1ttb h THR 75 Cb 0.93 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.88 1ttb h THR 75 CO 1.39 0.81 0.28 0.50 -0.25 0.00 0.00 175.52 178.25 1ttb h LYS 76 N 0.05 0.65 -0.56 4.72 3.64 -1.75 -2.30 116.57 121.03 1ttb h LYS 76 Ca -0.03 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1ttb h LYS 76 Cb 1.54 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1ttb h LYS 76 CO 0.13 0.49 0.07 0.77 -2.27 0.00 0.00 179.45 178.64 1ttb h SER 77 N 0.63 0.86 0.30 4.20 0.02 -1.87 -1.80 113.55 115.89 1ttb h SER 77 Ca 0.17 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1ttb h SER 77 Cb 0.02 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1ttb h SER 77 CO -0.03 0.88 -0.15 0.22 -1.14 0.00 0.00 176.83 176.61 1ttb h TYR 78 N 0.85 -0.39 -0.49 3.45 3.20 -1.44 -1.84 116.97 120.31 1ttb h TYR 78 Ca 0.17 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1ttb h TYR 78 Cb 0.40 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1ttb h TYR 78 CO 0.02 -0.24 0.07 -1.49 -1.64 0.00 0.00 178.16 174.88 1ttb h TRP 79 N -0.42 0.87 -0.93 -3.82 4.06 -1.34 -2.93 115.95 111.43 1ttb h TRP 79 Ca -0.04 -0.13 0.11 0.00 2.06 0.00 0.00 58.89 60.90 1ttb h TRP 79 Cb 0.32 -0.24 -0.08 0.00 -1.00 0.00 0.00 29.16 28.17 1ttb h TRP 79 CO -0.06 0.80 0.56 0.87 -3.56 0.00 0.00 178.44 177.06 1ttb h LYS 80 N 0.68 0.88 0.00 0.49 1.57 -1.24 -0.55 116.57 118.40 1ttb h LYS 80 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1ttb h LYS 80 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ttb h LYS 80 CO 0.01 0.58 -0.09 0.00 -0.57 0.00 0.00 179.45 179.39 1ttb h ALA 81 N 1.51 1.56 -0.01 3.86 0.00 -1.15 -1.26 119.26 123.77 1ttb h ALA 81 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ttb h ALA 81 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ttb h ALA 81 CO -0.26 0.11 -0.39 1.28 0.00 0.00 0.00 179.25 179.98 1ttb n LEU 82 N -4.01 1.14 -1.14 0.00 7.99 -0.31 -4.94 117.00 115.73 1ttb n LEU 82 Ca -0.02 -0.34 -0.07 0.00 -0.01 0.00 0.00 56.01 55.56 1ttb n LEU 82 Cb 0.18 -0.11 0.01 0.00 -0.11 0.00 0.00 43.42 43.39 1ttb n LEU 82 CO 0.32 0.22 -0.00 0.61 -1.51 0.00 0.00 177.39 177.03 1ttb n GLY 83 N 1.39 0.28 3.22 -0.72 0.00 -0.48 -5.04 105.19 103.84 1ttb n GLY 83 Ca 0.10 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1ttb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttb s ILE 84 N -2.72 1.92 -0.25 -0.61 1.01 -0.68 -5.02 121.20 114.85 1ttb s ILE 84 Ca 0.10 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 1ttb s ILE 84 Cb -0.04 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1ttb s ILE 84 CO 0.12 0.53 0.77 -0.55 0.00 0.00 0.00 174.94 175.82 1ttb s SER 85 N 0.08 6.76 0.35 3.58 0.15 -1.26 -3.36 113.70 120.00 1ttb s SER 85 Ca -0.09 0.93 0.07 0.00 0.70 0.00 0.00 55.95 57.56 1ttb s SER 85 Cb -0.15 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1ttb s SER 85 CO 0.05 -0.48 0.42 -2.16 1.20 0.00 0.00 173.24 172.27 1ttb s PRO 86 N 2.76 2.92 -0.18 5.44 0.04 -1.26 -4.88 135.00 139.83 1ttb s PRO 86 Ca 0.32 -1.17 -0.22 0.00 0.04 0.00 0.00 61.00 59.98 1ttb s PRO 86 Cb -0.15 -2.67 -0.22 0.00 0.04 0.00 0.00 34.50 31.50 1ttb s PRO 86 CO 0.08 0.02 0.36 0.35 0.04 0.00 0.00 177.00 177.85 1ttb h PHE 87 N 0.99 0.07 -3.86 0.56 3.57 -1.31 -3.48 116.94 113.48 1ttb h PHE 87 Ca -0.44 -0.05 -0.47 0.00 3.53 0.00 0.00 57.97 60.53 1ttb h PHE 87 Cb 1.26 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1ttb h PHE 87 CO 0.46 1.42 0.24 -1.01 -2.23 0.00 0.00 178.31 177.19 1ttb s HIS 88 N -2.36 3.46 0.18 0.41 3.76 -1.26 -4.98 115.29 114.50 1ttb s HIS 88 Ca -0.26 1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 56.12 1ttb s HIS 88 Cb 0.04 -2.75 0.09 0.00 1.11 0.00 0.00 32.58 31.08 1ttb s HIS 88 CO 0.64 0.08 1.49 0.93 -0.85 0.00 0.00 174.74 177.03 1ttb h GLU 89 N 2.49 0.57 -2.01 1.40 4.39 -1.98 -3.38 114.58 116.07 1ttb h GLU 89 Ca -0.48 -0.37 0.26 0.00 0.34 0.00 0.00 59.36 59.11 1ttb h GLU 89 Cb 1.18 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 1ttb h GLU 89 CO 0.64 0.98 0.70 -3.38 -1.16 0.00 0.00 179.01 176.79 1ttb s HIS 90 N -3.99 -0.03 -0.12 4.33 -3.43 -1.26 -3.74 115.29 107.06 1ttb s HIS 90 Ca -0.08 -0.19 -0.01 0.00 -0.80 0.00 0.00 55.06 53.99 1ttb s HIS 90 Cb 0.11 0.61 -0.02 0.00 -1.43 0.00 0.00 32.58 31.84 1ttb s HIS 90 CO 0.84 -0.55 -0.09 0.00 -2.00 0.00 0.00 174.74 172.95 1ttb s ALA 91 N -2.53 2.84 -0.05 -1.38 0.00 -0.46 -4.89 121.76 115.29 1ttb s ALA 91 Ca 0.18 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1ttb s ALA 91 Cb 0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1ttb s ALA 91 CO 0.00 0.34 -0.23 -1.21 0.00 0.00 0.00 175.76 174.66 1ttb s GLU 92 N -0.01 2.32 -0.13 0.00 2.02 -1.26 -0.49 118.70 121.15 1ttb s GLU 92 Ca -0.01 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1ttb s GLU 92 Cb -0.14 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.11 1ttb s GLU 92 CO 0.03 0.37 -0.16 0.08 0.02 0.00 0.00 175.26 175.60 1ttb s VAL 93 N -0.17 1.63 -0.09 2.63 1.01 0.81 -4.97 120.40 121.25 1ttb s VAL 93 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1ttb s VAL 93 Cb -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ttb s VAL 93 CO 0.03 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1ttb s VAL 94 N 1.12 1.55 0.13 2.92 1.01 -1.26 -0.18 120.40 125.69 1ttb s VAL 94 Ca -0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1ttb s VAL 94 Cb -0.14 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1ttb s VAL 94 CO -0.05 0.45 0.32 0.72 0.00 0.00 0.00 175.10 176.54 1ttb s PHE 95 N 0.71 0.05 -0.04 5.22 -0.71 -0.45 -5.01 117.98 117.74 1ttb s PHE 95 Ca -0.12 -0.41 -0.13 0.00 -1.04 0.00 0.00 56.93 55.22 1ttb s PHE 95 Cb -0.16 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.70 1ttb s PHE 95 CO 0.03 -0.68 0.35 0.99 -1.34 0.00 0.00 175.22 174.57 1ttb s THR 96 N -3.86 5.16 -0.23 -4.49 2.01 -1.26 -1.08 115.64 111.89 1ttb s THR 96 Ca 0.07 0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 1ttb s THR 96 Cb 0.03 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1ttb s THR 96 CO -0.08 0.56 0.14 0.00 -0.69 0.00 0.00 174.62 174.55 1ttb s ALA 97 N -0.84 3.59 -0.07 7.40 0.00 -0.37 -4.98 121.76 126.49 1ttb s ALA 97 Ca 0.21 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1ttb s ALA 97 Cb -0.15 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 1ttb s ALA 97 CO 0.10 -0.09 -0.24 -0.80 0.00 0.00 0.00 175.76 174.73 1ttb s ASN 98 N 0.86 3.01 0.39 0.00 0.02 -1.26 -2.63 114.94 115.33 1ttb s ASN 98 Ca 0.07 -0.52 0.14 0.00 -1.02 0.00 0.00 52.86 51.54 1ttb s ASN 98 Cb -0.13 -1.00 0.80 0.00 0.02 0.00 0.00 41.25 40.93 1ttb s ASN 98 CO 0.03 0.21 1.85 0.44 0.02 0.00 0.00 177.10 179.65 1ttb h ASP 99 N 6.28 0.00 0.51 -1.22 3.32 -1.98 -3.26 116.42 120.08 1ttb h ASP 99 Ca -0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1ttb h ASP 99 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1ttb h ASP 99 CO 0.47 0.34 -0.51 0.77 -1.72 0.00 0.00 179.24 178.59 1ttb h SER 100 N 0.00 -1.40 -1.79 6.45 4.64 -2.04 -3.45 113.55 115.96 1ttb h SER 100 Ca -0.00 0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1ttb h SER 100 Cb 0.63 0.46 0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1ttb h SER 100 CO 0.04 -0.67 -0.00 0.61 -0.87 0.00 0.00 176.83 175.94 1ttb n GLY 101 N -1.57 -3.07 3.45 -0.77 0.00 -1.23 -4.97 105.19 97.04 1ttb n GLY 101 Ca -0.12 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1ttb n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ttb n PRO 102 N -2.66 -0.68 -0.02 1.61 -0.02 -1.26 -4.98 135.00 126.99 1ttb n PRO 102 Ca 0.04 -0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.44 1ttb n PRO 102 Cb 0.16 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.52 1ttb n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ttb n ARG 103 N -2.52 0.65 -4.36 -0.52 1.74 -0.87 -4.81 116.66 105.97 1ttb n ARG 103 Ca 0.07 -0.16 -0.34 0.00 -0.77 0.00 0.00 57.85 56.65 1ttb n ARG 103 Cb 0.55 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 1ttb n ARG 103 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ttb s ARG 104 N -3.24 3.53 -0.18 5.56 3.52 0.17 -4.79 118.95 123.52 1ttb s ARG 104 Ca -0.07 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1ttb s ARG 104 Cb 0.12 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1ttb s ARG 104 CO 0.81 0.36 -0.15 0.71 -0.81 0.00 0.00 175.30 176.22 1ttb s TYR 105 N 0.07 2.82 -0.19 5.12 1.51 0.67 -1.35 117.35 126.00 1ttb s TYR 105 Ca 0.01 -1.31 -0.02 0.00 -1.01 0.00 0.00 57.07 54.74 1ttb s TYR 105 Cb -0.13 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1ttb s TYR 105 CO 0.02 -0.65 -0.09 0.99 -1.11 0.00 0.00 175.55 174.71 1ttb s THR 106 N 1.20 3.12 -0.33 -0.71 2.01 -0.33 -0.81 115.64 119.80 1ttb s THR 106 Ca 0.02 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.33 1ttb s THR 106 Cb -0.14 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1ttb s THR 106 CO -0.07 0.47 0.16 -0.63 -0.69 0.00 0.00 174.62 173.86 1ttb s ILE 107 N 1.09 4.46 -0.09 1.82 -1.09 -0.51 -0.37 121.20 126.50 1ttb s ILE 107 Ca 0.01 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1ttb s ILE 107 Cb -0.15 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1ttb s ILE 107 CO -0.02 -0.04 -0.16 0.00 -1.23 0.00 0.00 174.94 173.50 1ttb s ALA 108 N 1.57 2.55 -0.03 9.38 0.00 -0.17 -1.20 121.76 133.86 1ttb s ALA 108 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1ttb s ALA 108 Cb -0.18 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1ttb s ALA 108 CO 0.06 0.39 -0.07 0.99 0.00 0.00 0.00 175.76 177.12 1ttb s THR 109 N -0.11 0.67 -0.20 0.00 2.01 -0.53 -0.59 115.64 116.90 1ttb s THR 109 Ca -0.02 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1ttb s THR 109 Cb -0.14 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1ttb s THR 109 CO 0.04 0.22 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.92 1ttb s LEU 110 N 0.39 2.93 -0.11 4.42 2.96 0.75 -1.27 118.68 128.74 1ttb s LEU 110 Ca -0.06 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1ttb s LEU 110 Cb -0.10 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1ttb s LEU 110 CO 0.00 0.04 0.01 -0.76 -1.32 0.00 0.00 176.35 174.32 1ttb s LEU 111 N 1.14 3.60 0.17 -0.68 1.43 -0.08 -1.70 118.68 122.56 1ttb s LEU 111 Ca 0.02 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1ttb s LEU 111 Cb -0.15 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1ttb s LEU 111 CO -0.01 0.31 -0.02 -0.44 0.23 0.00 0.00 176.35 176.42 1ttb s SER 112 N -0.49 1.39 0.31 2.29 0.01 -0.10 -0.75 113.70 116.36 1ttb s SER 112 Ca 0.09 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 1ttb s SER 112 Cb -0.12 0.08 0.50 0.00 0.21 0.00 0.00 66.02 66.69 1ttb s SER 112 CO 0.02 -0.51 1.93 -0.65 0.41 0.00 0.00 173.24 174.44 1ttb h PRO 113 N 2.71 0.88 -0.24 12.44 0.11 -1.99 -2.93 132.00 142.98 1ttb h PRO 113 Ca -0.37 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ttb h PRO 113 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ttb h PRO 113 CO 0.63 0.67 0.00 0.66 -0.21 0.00 0.00 178.00 179.75 1ttb n TYR 114 N -4.37 0.54 -3.54 0.65 4.02 -1.26 -0.77 117.16 112.42 1ttb n TYR 114 Ca 0.06 -0.68 -0.17 0.00 -0.01 0.00 0.00 57.90 57.11 1ttb n TYR 114 Cb 0.11 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.23 1ttb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1ttb s SER 115 N -1.49 -0.59 0.03 7.72 0.15 -1.11 -4.95 113.70 113.46 1ttb s SER 115 Ca 0.28 0.56 -0.09 0.00 0.70 0.00 0.00 55.95 57.39 1ttb s SER 115 Cb 0.20 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1ttb s SER 115 CO 0.10 -0.63 0.19 -0.72 1.20 0.00 0.00 173.24 173.38 1ttb s TYR 116 N -1.51 0.04 -0.03 3.44 -0.85 -1.26 -0.92 117.35 116.25 1ttb s TYR 116 Ca -0.10 -0.21 0.06 0.00 -0.52 0.00 0.00 57.07 56.30 1ttb s TYR 116 Cb -0.01 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.29 1ttb s TYR 116 CO 0.07 -0.39 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.95 1ttb s SER 117 N -1.88 2.54 0.00 -0.18 1.04 -0.69 -4.98 113.70 109.55 1ttb s SER 117 Ca -0.08 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1ttb s SER 117 Cb -0.03 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 1ttb s SER 117 CO -0.02 0.23 -0.14 0.28 0.98 0.00 0.00 173.24 174.57 1ttb s THR 118 N -0.27 1.11 0.06 2.02 -1.32 -1.26 -0.18 115.64 115.80 1ttb s THR 118 Ca 0.02 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1ttb s THR 118 Cb -0.10 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1ttb s THR 118 CO 0.01 0.23 -0.05 0.42 -2.21 0.00 0.00 174.62 173.02 1ttb s THR 119 N -0.47 0.36 -0.11 5.08 -4.23 0.24 -5.00 115.64 111.52 1ttb s THR 119 Ca 0.04 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1ttb s THR 119 Cb -0.06 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1ttb s THR 119 CO -0.00 -0.79 -0.15 0.00 -0.54 0.00 0.00 174.62 173.14 1ttb s ALA 120 N -3.04 2.56 -0.25 3.99 0.00 -1.26 -1.00 121.76 122.76 1ttb s ALA 120 Ca 0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ttb s ALA 120 Cb 0.01 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1ttb s ALA 120 CO -0.06 0.32 -0.03 0.08 0.00 0.00 0.00 175.76 176.07 1ttb s VAL 121 N 0.13 3.26 -0.26 0.00 1.01 0.49 -4.98 120.40 120.05 1ttb s VAL 121 Ca -0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1ttb s VAL 121 Cb -0.15 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1ttb s VAL 121 CO 0.05 0.26 0.00 -0.69 0.00 0.00 0.00 175.10 174.73 1ttb s VAL 122 N 1.41 3.46 0.20 2.92 1.01 -1.26 -1.19 120.40 126.95 1ttb s VAL 122 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1ttb s VAL 122 Cb -0.16 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1ttb s VAL 122 CO -0.03 0.20 0.04 0.42 0.00 0.00 0.00 175.10 175.73 1ttb s THR 123 N 1.43 0.57 0.56 3.92 -4.23 -0.46 -4.82 115.64 112.62 1ttb s THR 123 Ca 0.02 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 1ttb s THR 123 Cb -0.16 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1ttb s THR 123 CO -0.01 -0.32 0.38 0.20 -0.54 0.00 0.00 174.62 174.34 1ttb s ASN 124 N -3.20 4.57 -0.19 3.99 0.01 -1.26 -0.66 114.94 118.19 1ttb s ASN 124 Ca 0.29 -1.34 -0.17 0.00 -0.71 0.00 0.00 52.86 50.93 1ttb s ASN 124 Cb 0.07 0.58 0.03 0.00 0.41 0.00 0.00 41.25 42.33 1ttb s ASN 124 CO 0.07 -1.16 0.28 -2.65 -1.51 0.00 0.00 177.10 172.13 1ttb n PRO 125 N -1.77 -0.90 0.00 -0.60 -0.02 -1.26 -4.07 135.00 126.38 1ttb n PRO 125 Ca -0.04 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ttb n PRO 125 Cb 0.65 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1ttb n PRO 125 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ttb n LYS 126 N 0.41 0.00 0.00 -0.52 0.00 -1.26 -5.15 118.16 111.64 1ttb n LYS 126 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.38 1ttb n LYS 126 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.58 1ttb n LYS 126 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49