#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttc n PRO 2 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.59 135.00 130.71 1ttc n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ttc n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ttc n PRO 2 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ttc n THR 3 N 0.00 0.00 0.00 0.52 -1.04 -1.26 -3.71 114.28 108.79 1ttc n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ttc n THR 3 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ttc n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttc n GLY 4 N 0.00 1.56 0.00 3.41 0.00 -1.26 -4.95 105.19 103.94 1ttc n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttc n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ttc n THR 5 N 0.00 0.00 0.17 2.61 5.66 -1.26 -4.93 114.28 116.53 1ttc n THR 5 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ttc n THR 5 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ttc n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttc n GLY 6 N 0.00 -1.22 0.00 1.09 0.00 -1.26 -4.78 105.19 99.02 1ttc n GLY 6 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ttc n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ttc n GLU 7 N -3.26 0.00 0.00 1.61 1.02 0.11 -2.78 120.64 117.34 1ttc n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ttc n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ttc n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ttc n SER 8 N 0.00 0.00 -0.38 1.62 2.88 -1.17 -4.29 113.62 112.29 1ttc n SER 8 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1ttc n SER 8 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1ttc n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ttc n LYS 9 N 0.00 1.04 -1.42 -1.46 5.02 -1.26 -4.89 118.16 115.19 1ttc n LYS 9 Ca 0.00 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.52 1ttc n LYS 9 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1ttc n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ttc h PRO 11 N 0.00 0.00 -3.06 0.00 0.13 -1.89 -3.43 132.00 123.75 1ttc h PRO 11 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1ttc h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 1ttc h PRO 11 CO 0.00 0.16 -0.64 -1.17 -0.23 0.00 0.00 178.00 176.12 1ttc s LEU 12 N -6.40 -0.07 0.05 1.56 2.96 -1.26 -0.61 118.68 114.90 1ttc s LEU 12 Ca 0.04 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1ttc s LEU 12 Cb 0.08 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 1ttc s LEU 12 CO 0.65 -0.25 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.96 1ttc s MET 13 N 2.29 0.97 -0.02 1.98 1.75 -0.51 -4.47 119.30 121.29 1ttc s MET 13 Ca 0.03 -0.84 0.04 0.00 -1.25 0.00 0.00 55.69 53.67 1ttc s MET 13 Cb -0.12 -1.01 -0.00 0.00 2.84 0.00 0.00 34.83 36.53 1ttc s MET 13 CO -0.06 0.24 -0.13 0.08 -0.65 0.00 0.00 175.02 174.51 1ttc s VAL 14 N -0.94 1.03 -0.06 10.11 1.01 -0.88 -0.85 120.40 129.82 1ttc s VAL 14 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1ttc s VAL 14 Cb -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1ttc s VAL 14 CO 0.02 0.30 -0.10 -0.75 0.00 0.00 0.00 175.10 174.56 1ttc s LYS 15 N -0.09 1.47 -0.08 2.72 2.20 -0.02 -0.91 119.74 125.04 1ttc s LYS 15 Ca 0.01 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 1ttc s LYS 15 Cb -0.07 -1.25 0.01 0.00 -1.51 0.00 0.00 37.83 35.00 1ttc s LYS 15 CO 0.00 0.01 -0.14 0.08 -0.36 0.00 0.00 175.35 174.94 1ttc s VAL 16 N 0.70 1.30 0.08 4.02 1.01 -0.39 -0.75 120.40 126.36 1ttc s VAL 16 Ca -0.14 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1ttc s VAL 16 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1ttc s VAL 16 CO 0.03 0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.60 1ttc s LEU 17 N 0.71 2.72 -0.33 3.92 1.43 -0.59 -0.71 118.68 125.82 1ttc s LEU 17 Ca -0.13 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 1ttc s LEU 17 Cb -0.16 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1ttc s LEU 17 CO 0.03 0.22 0.15 -0.62 0.23 0.00 0.00 176.35 176.36 1ttc s ASP 18 N -1.79 5.49 0.10 2.29 -1.08 0.71 -1.33 116.67 121.07 1ttc s ASP 18 Ca 0.17 -0.74 0.26 0.00 -0.52 0.00 0.00 52.55 51.72 1ttc s ASP 18 Cb -0.11 -1.97 1.00 0.00 -1.46 0.00 0.00 42.92 40.38 1ttc s ASP 18 CO 0.08 -0.26 1.81 0.00 0.52 0.00 0.00 175.17 177.33 1ttc n ALA 19 N 4.95 2.20 -0.03 3.66 0.00 -0.47 -2.03 120.51 128.79 1ttc n ALA 19 Ca -0.13 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1ttc n ALA 19 Cb 0.48 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1ttc n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ttc h VAL 20 N 0.00 0.91 0.00 0.00 2.07 -1.94 -3.39 116.25 113.89 1ttc h VAL 20 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1ttc h VAL 20 Cb 0.56 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1ttc h VAL 20 CO 0.00 0.63 -0.85 0.54 0.02 0.00 0.00 177.57 177.92 1ttc n ARG 21 N -3.98 0.00 -3.12 1.57 1.74 -1.25 -5.00 116.66 106.62 1ttc n ARG 21 Ca -0.29 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.66 1ttc n ARG 21 Cb 0.86 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.87 1ttc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttc n GLY 22 N 1.50 -0.19 3.51 -0.13 0.00 -0.86 -5.02 105.19 104.00 1ttc n GLY 22 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1ttc n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ttc s SER 23 N -4.05 -0.06 0.71 1.61 1.04 -1.12 -5.02 113.70 106.82 1ttc s SER 23 Ca 0.01 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.34 1ttc s SER 23 Cb -0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1ttc s SER 23 CO 0.57 -1.07 1.25 -2.84 0.98 0.00 0.00 173.24 172.13 1ttc s PRO 24 N -4.02 2.20 -0.39 4.02 0.02 -1.26 -0.20 135.00 135.37 1ttc s PRO 24 Ca 0.23 1.91 -0.15 0.00 0.02 0.00 0.00 61.00 63.00 1ttc s PRO 24 Cb 0.01 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1ttc s PRO 24 CO 0.07 -1.82 0.32 0.00 -0.33 0.00 0.00 177.00 175.24 1ttc s ALA 25 N -1.74 3.48 0.05 -1.55 0.00 0.11 -4.58 121.76 117.52 1ttc s ALA 25 Ca 0.78 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ttc s ALA 25 Cb -0.33 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1ttc s ALA 25 CO 0.44 -1.34 0.28 0.42 0.00 0.00 0.00 175.76 175.55 1ttc s ILE 26 N 1.80 5.29 -1.64 0.00 1.01 -1.26 -4.28 121.20 122.12 1ttc s ILE 26 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 1ttc s ILE 26 Cb -0.18 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1ttc s ILE 26 CO 0.11 0.23 0.32 -3.20 0.00 0.00 0.00 174.94 172.41 1ttc n ASN 27 N 0.68 -5.97 -4.61 3.58 4.05 -0.86 -4.96 115.26 107.17 1ttc n ASN 27 Ca -0.08 -0.16 -0.42 0.00 0.45 0.00 0.00 54.58 54.37 1ttc n ASN 27 Cb 0.52 -4.88 -0.05 0.00 1.23 0.00 0.00 39.78 36.61 1ttc n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ttc s VAL 28 N -3.11 4.77 0.41 3.44 1.01 -1.26 -4.80 120.40 120.87 1ttc s VAL 28 Ca 0.16 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 1ttc s VAL 28 Cb -0.07 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1ttc s VAL 28 CO 0.20 -0.28 1.10 0.00 0.00 0.00 0.00 175.10 176.13 1ttc s ALA 29 N 3.00 3.08 -0.02 5.51 0.00 -1.26 -2.00 121.76 130.07 1ttc s ALA 29 Ca 0.33 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1ttc s ALA 29 Cb -0.14 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1ttc s ALA 29 CO 0.13 -0.39 0.20 0.00 0.00 0.00 0.00 175.76 175.70 1ttc s MET 30 N -2.49 0.49 -0.03 0.00 0.23 0.31 -0.95 119.30 116.86 1ttc s MET 30 Ca 0.59 -0.19 0.04 0.00 -1.03 0.00 0.00 55.69 55.09 1ttc s MET 30 Cb -0.26 0.21 -0.00 0.00 -1.53 0.00 0.00 34.83 33.25 1ttc s MET 30 CO 0.32 -0.12 -0.14 -1.01 -2.03 0.00 0.00 175.02 172.04 1ttc s HIS 31 N -1.05 1.40 -0.06 3.16 3.76 -0.77 -1.78 115.29 119.95 1ttc s HIS 31 Ca -0.11 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 1ttc s HIS 31 Cb -0.06 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 1ttc s HIS 31 CO 0.02 -0.12 -0.13 0.08 -0.85 0.00 0.00 174.74 173.74 1ttc s VAL 32 N 0.01 3.15 0.10 -0.90 1.01 0.13 0.00 120.40 123.90 1ttc s VAL 32 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1ttc s VAL 32 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ttc s VAL 32 CO 0.01 0.58 -0.12 -0.36 0.00 0.00 0.00 175.10 175.21 1ttc s PHE 33 N -0.61 1.21 0.01 5.22 0.40 -0.01 -0.78 117.98 123.43 1ttc s PHE 33 Ca 0.09 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1ttc s PHE 33 Cb -0.11 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1ttc s PHE 33 CO 0.01 0.06 -0.19 0.50 0.70 0.00 0.00 175.22 176.31 1ttc s ARG 34 N -2.46 1.43 -0.15 0.44 3.52 0.16 -0.50 118.95 121.40 1ttc s ARG 34 Ca 0.04 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 1ttc s ARG 34 Cb -0.06 -1.44 -0.02 0.00 -1.56 0.00 0.00 34.95 31.88 1ttc s ARG 34 CO 0.02 0.38 1.25 0.21 -0.81 0.00 0.00 175.30 176.35 1ttc s LYS 35 N -0.75 4.25 0.74 5.12 2.20 0.24 -1.33 119.74 130.22 1ttc s LYS 35 Ca 0.07 1.67 -0.08 0.00 -0.36 0.00 0.00 55.97 57.26 1ttc s LYS 35 Cb -0.08 -3.73 0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1ttc s LYS 35 CO 0.00 -0.66 1.07 0.00 -0.36 0.00 0.00 175.35 175.40 1ttc s ALA 36 N 3.28 2.98 0.14 3.13 0.00 0.52 -4.69 121.76 127.12 1ttc s ALA 36 Ca 0.55 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 1ttc s ALA 36 Cb -0.22 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1ttc s ALA 36 CO 0.16 -1.45 1.62 0.00 0.00 0.00 0.00 175.76 176.09 1ttc h ALA 37 N -0.77 -0.22 0.00 0.00 0.00 -1.95 -0.15 119.26 116.17 1ttc h ALA 37 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ttc h ALA 37 Cb 1.32 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ttc h ALA 37 CO 0.61 -0.72 0.00 -0.40 0.00 0.00 0.00 179.25 178.75 1ttc n ASP 38 N -5.39 0.00 -0.18 0.00 5.68 -1.26 -4.79 116.55 110.61 1ttc n ASP 38 Ca -0.02 -0.07 -0.02 0.00 -0.50 0.00 0.00 54.79 54.18 1ttc n ASP 38 Cb 0.30 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 1ttc n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ttc n ASP 39 N -0.79 -3.57 -4.98 -1.12 2.03 -0.07 -5.04 116.55 103.00 1ttc n ASP 39 Ca 0.01 0.06 -0.18 0.00 0.52 0.00 0.00 54.79 55.20 1ttc n ASP 39 Cb 0.00 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 1ttc n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ttc s THR 40 N -1.99 2.87 -0.34 5.18 -4.23 -1.26 -4.83 115.64 111.05 1ttc s THR 40 Ca 0.00 -1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1ttc s THR 40 Cb 0.00 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1ttc s THR 40 CO 0.00 0.00 0.40 0.26 -0.54 0.00 0.00 174.62 174.74 1ttc s TRP 41 N -2.40 3.21 -0.09 3.99 0.52 -1.26 -0.35 118.94 122.56 1ttc s TRP 41 Ca 0.54 0.06 -0.05 0.00 0.02 0.00 0.00 56.10 56.67 1ttc s TRP 41 Cb -0.08 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 1ttc s TRP 41 CO 0.32 -0.44 0.11 -1.21 0.02 0.00 0.00 176.95 175.75 1ttc s GLU 42 N 2.11 3.31 0.29 4.98 2.02 -0.44 -4.89 118.70 126.08 1ttc s GLU 42 Ca 0.14 -0.24 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 1ttc s GLU 42 Cb -0.16 -3.07 -0.12 0.00 0.10 0.00 0.00 34.13 30.88 1ttc s GLU 42 CO 0.12 0.74 1.49 -2.30 0.02 0.00 0.00 175.26 175.33 1ttc n PRO 43 N 1.84 2.41 0.00 0.39 -0.02 -1.26 -0.66 135.00 137.70 1ttc n PRO 43 Ca -0.18 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ttc n PRO 43 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1ttc n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ttc n PHE 44 N 1.66 0.00 -3.52 6.00 7.35 0.04 -4.78 117.46 124.22 1ttc n PHE 44 Ca 0.08 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.69 1ttc n PHE 44 Cb 0.35 0.06 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 1ttc n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ttc s ALA 45 N -1.88 -1.80 0.15 3.13 0.00 -1.00 -5.01 121.76 115.35 1ttc s ALA 45 Ca 0.00 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1ttc s ALA 45 Cb 0.00 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.62 1ttc s ALA 45 CO 0.00 -0.73 0.47 -1.54 0.00 0.00 0.00 175.76 173.96 1ttc s SER 46 N -2.54 -0.29 0.00 0.00 1.04 -1.26 0.21 113.70 110.86 1ttc s SER 46 Ca 0.05 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1ttc s SER 46 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ttc s SER 46 CO -0.08 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1ttc n GLY 47 N -0.28 -1.27 3.10 7.32 0.00 -0.73 -5.01 105.19 108.31 1ttc n GLY 47 Ca -0.14 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1ttc n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttc s LYS 48 N -1.66 0.74 0.57 1.61 1.02 -1.26 -0.53 119.74 120.23 1ttc s LYS 48 Ca 0.00 -0.71 -0.20 0.00 0.02 0.00 0.00 55.97 55.08 1ttc s LYS 48 Cb 0.00 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 1ttc s LYS 48 CO 0.00 0.16 1.24 0.95 -0.92 0.00 0.00 175.35 176.78 1ttc s THR 49 N -0.96 2.54 0.69 2.17 -4.23 -0.85 -4.77 115.64 110.22 1ttc s THR 49 Ca -0.02 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1ttc s THR 49 Cb -0.08 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.76 1ttc s THR 49 CO 0.01 -0.05 0.94 -1.54 -0.54 0.00 0.00 174.62 173.44 1ttc n SER 50 N -1.36 0.22 0.14 3.99 3.41 -0.16 -2.03 113.62 117.84 1ttc n SER 50 Ca 0.12 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.42 1ttc n SER 50 Cb 0.48 -0.71 0.52 0.00 -0.26 0.00 0.00 64.21 64.24 1ttc n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ttc n GLU 51 N -2.96 0.17 -0.12 4.33 -0.58 -1.26 -0.90 120.64 119.32 1ttc n GLU 51 Ca 0.12 0.49 0.11 0.00 -0.42 0.00 0.00 57.16 57.47 1ttc n GLU 51 Cb 0.43 -1.89 0.28 0.00 -0.57 0.00 0.00 31.44 29.68 1ttc n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ttc n SER 52 N -2.23 2.62 -0.38 1.62 3.41 -1.26 -4.83 113.62 112.56 1ttc n SER 52 Ca 0.01 -1.86 -0.05 0.00 -0.26 0.00 0.00 58.87 56.71 1ttc n SER 52 Cb 0.16 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ttc n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ttc n GLY 53 N 1.33 0.76 3.57 5.00 0.00 -0.08 -4.83 105.19 110.94 1ttc n GLY 53 Ca 0.18 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1ttc n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ttc s GLU 54 N -2.18 2.03 -0.20 1.61 2.02 -1.26 -1.26 118.70 119.46 1ttc s GLU 54 Ca 0.00 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.60 1ttc s GLU 54 Cb 0.00 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.19 1ttc s GLU 54 CO 0.00 0.41 0.02 -1.17 0.02 0.00 0.00 175.26 174.54 1ttc s LEU 55 N -3.05 1.42 0.46 1.80 2.96 -0.09 -0.98 118.68 121.19 1ttc s LEU 55 Ca 0.26 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1ttc s LEU 55 Cb -0.08 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1ttc s LEU 55 CO 0.16 -0.29 0.28 -1.00 -1.32 0.00 0.00 176.35 174.18 1ttc s HIS 56 N 1.78 2.32 -1.49 5.38 3.76 -1.26 -2.06 115.29 123.72 1ttc s HIS 56 Ca -0.02 -0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 54.18 1ttc s HIS 56 Cb -0.17 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.56 1ttc s HIS 56 CO -0.08 -0.07 0.64 0.41 -0.85 0.00 0.00 174.74 174.79 1ttc n GLY 57 N -1.46 -0.52 0.14 -2.22 0.00 -1.26 -4.91 105.19 94.96 1ttc n GLY 57 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ttc n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ttc h LEU 58 N -1.42 0.00 0.00 0.99 3.38 -1.75 -3.41 115.31 113.09 1ttc h LEU 58 Ca -0.51 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1ttc h LEU 58 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1ttc h LEU 58 CO 0.57 0.60 0.24 1.07 0.09 0.00 0.00 178.44 181.01 1ttc n THR 59 N -3.53 0.00 -4.51 0.22 5.66 -1.12 -4.56 114.28 106.43 1ttc n THR 59 Ca -0.00 -0.39 -0.24 0.00 -3.05 0.00 0.00 64.05 60.37 1ttc n THR 59 Cb 0.67 0.45 -0.11 0.00 -1.55 0.00 0.00 70.33 69.79 1ttc n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ttc s THR 60 N -2.39 1.75 0.25 1.09 -4.23 -1.26 0.06 115.64 110.91 1ttc s THR 60 Ca 0.11 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1ttc s THR 60 Cb -0.02 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 71.33 1ttc s THR 60 CO 0.04 -0.11 1.90 -0.08 -0.54 0.00 0.00 174.62 175.83 1ttc h GLU 61 N 2.03 1.20 -0.49 3.99 4.22 -1.81 -0.88 114.58 122.84 1ttc h GLU 61 Ca -0.42 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 58.91 1ttc h GLU 61 Cb 1.24 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1ttc h GLU 61 CO 0.73 0.80 0.15 1.49 -2.18 0.00 0.00 179.01 179.99 1ttc h GLU 62 N 1.24 0.76 0.00 1.92 4.81 -1.87 -3.24 114.58 118.19 1ttc h GLU 62 Ca 0.40 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.28 1ttc h GLU 62 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1ttc h GLU 62 CO -0.13 0.72 -0.84 1.49 -0.73 0.00 0.00 179.01 179.52 1ttc h GLU 63 N 0.65 0.00 -4.22 1.92 4.81 -1.86 -3.40 114.58 112.48 1ttc h GLU 63 Ca 0.16 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.67 1ttc h GLU 63 Cb 0.28 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1ttc h GLU 63 CO -0.00 0.84 2.67 0.34 -0.73 0.00 0.00 179.01 182.12 1ttc n PHE 64 N -3.33 3.66 -1.91 0.92 7.35 -0.36 -4.95 117.46 118.84 1ttc n PHE 64 Ca 0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 1ttc n PHE 64 Cb 0.87 -2.42 0.17 0.00 0.35 0.00 0.00 39.48 38.44 1ttc n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ttc s VAL 65 N 2.68 1.99 0.41 -2.13 -7.23 -1.26 -4.95 120.40 109.92 1ttc s VAL 65 Ca 0.46 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.37 1ttc s VAL 65 Cb 0.11 -2.99 -0.10 0.00 0.56 0.00 0.00 36.38 33.96 1ttc s VAL 65 CO -0.04 0.00 1.47 1.21 -0.31 0.00 0.00 175.10 177.43 1ttc n GLU 66 N -3.71 2.51 -3.77 4.82 0.00 -1.26 -4.83 120.64 114.39 1ttc n GLU 66 Ca 0.14 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.18 1ttc n GLU 66 Cb 0.60 -2.67 0.00 0.00 0.00 0.00 0.00 31.44 29.37 1ttc n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ttc n GLY 67 N 0.49 -1.59 3.36 8.31 0.00 -1.08 -5.01 105.19 109.68 1ttc n GLY 67 Ca 0.03 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1ttc n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttc s ILE 68 N -2.80 3.50 0.12 -0.61 1.01 -1.26 -0.74 121.20 120.41 1ttc s ILE 68 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.26 1ttc s ILE 68 Cb 0.00 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ttc s ILE 68 CO 0.00 0.44 -0.12 -0.31 0.00 0.00 0.00 174.94 174.96 1ttc s TYR 69 N 1.14 2.68 -0.08 3.97 1.51 0.62 -0.60 117.35 126.59 1ttc s TYR 69 Ca 0.02 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1ttc s TYR 69 Cb -0.15 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1ttc s TYR 69 CO -0.00 0.43 -0.10 0.21 -1.11 0.00 0.00 175.55 174.98 1ttc s LYS 70 N -2.29 1.57 -0.27 -0.62 2.20 0.35 -1.29 119.74 119.37 1ttc s LYS 70 Ca 0.21 -0.33 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1ttc s LYS 70 Cb -0.11 -1.42 -0.01 0.00 -1.51 0.00 0.00 37.83 34.79 1ttc s LYS 70 CO 0.13 -0.08 0.07 0.08 -0.36 0.00 0.00 175.35 175.19 1ttc s VAL 71 N 1.04 4.11 -0.27 4.02 1.01 0.49 -0.83 120.40 129.97 1ttc s VAL 71 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1ttc s VAL 71 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ttc s VAL 71 CO -0.01 0.21 0.18 -0.70 0.00 0.00 0.00 175.10 174.78 1ttc s GLU 72 N 1.55 3.99 -0.21 2.72 2.12 0.10 -1.30 118.70 127.67 1ttc s GLU 72 Ca 0.05 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 55.00 1ttc s GLU 72 Cb -0.16 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1ttc s GLU 72 CO 0.03 -0.10 0.06 0.42 -0.54 0.00 0.00 175.26 175.13 1ttc s ILE 73 N 1.52 4.52 -1.30 -3.70 1.01 0.18 -1.85 121.20 121.58 1ttc s ILE 73 Ca 0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 1ttc s ILE 73 Cb -0.15 -3.07 0.09 0.00 0.01 0.00 0.00 42.46 39.34 1ttc s ILE 73 CO 0.09 0.41 1.75 -0.67 0.00 0.00 0.00 174.94 176.52 1ttc n ASP 74 N 4.16 4.86 0.08 3.58 2.03 -0.12 -1.65 116.55 129.48 1ttc n ASP 74 Ca -0.16 -2.93 -0.07 0.00 0.52 0.00 0.00 54.79 52.15 1ttc n ASP 74 Cb 0.52 -1.70 0.05 0.00 -0.72 0.00 0.00 41.12 39.28 1ttc n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ttc h THR 75 N 5.15 1.43 -0.32 5.18 1.35 -1.87 -3.27 112.91 120.56 1ttc h THR 75 Ca 0.44 -2.25 0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1ttc h THR 75 Cb 0.83 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1ttc h THR 75 CO 1.48 0.66 0.20 0.50 -0.25 0.00 0.00 175.52 178.12 1ttc h LYS 76 N 0.17 0.40 -0.99 4.72 3.64 -1.71 -2.23 116.57 120.57 1ttc h LYS 76 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ttc h LYS 76 Cb 1.30 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1ttc h LYS 76 CO 0.11 0.27 0.64 0.77 -2.27 0.00 0.00 179.45 178.97 1ttc h SER 77 N 0.41 1.15 -0.43 4.20 0.02 -1.85 -1.86 113.55 115.20 1ttc h SER 77 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ttc h SER 77 Cb -0.03 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 1ttc h SER 77 CO -0.04 0.85 0.22 0.22 -1.14 0.00 0.00 176.83 176.94 1ttc h TYR 78 N 1.35 0.61 -0.18 3.45 3.20 -1.54 -2.03 116.97 121.83 1ttc h TYR 78 Ca 0.36 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 62.04 1ttc h TYR 78 Cb -0.13 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 37.96 1ttc h TYR 78 CO 0.00 0.48 -0.56 -1.49 -1.64 0.00 0.00 178.16 174.96 1ttc h TRP 79 N 0.55 0.90 -0.65 -3.82 4.06 -1.19 -3.25 115.95 112.56 1ttc h TRP 79 Ca 0.15 -0.36 0.05 0.00 2.06 0.00 0.00 58.89 60.79 1ttc h TRP 79 Cb 0.09 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 1ttc h TRP 79 CO -0.02 1.16 0.37 0.87 -3.56 0.00 0.00 178.44 177.27 1ttc h LYS 80 N 0.38 0.67 0.00 0.49 1.57 -1.22 0.10 116.57 118.56 1ttc h LYS 80 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ttc h LYS 80 Cb 1.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ttc h LYS 80 CO 0.12 0.44 0.04 0.00 -0.57 0.00 0.00 179.45 179.48 1ttc h ALA 81 N 1.33 1.04 -0.05 3.86 0.00 -1.40 0.11 119.26 124.16 1ttc h ALA 81 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ttc h ALA 81 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ttc h ALA 81 CO -0.17 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1ttc n LEU 82 N -3.03 2.91 0.00 0.00 4.32 -0.06 -4.96 117.00 116.18 1ttc n LEU 82 Ca -0.03 -0.99 0.00 0.00 -0.02 0.00 0.00 56.01 54.97 1ttc n LEU 82 Cb 0.11 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1ttc n LEU 82 CO 0.19 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.46 1ttc n GLY 83 N 1.35 0.68 3.71 -0.72 0.00 0.37 -5.06 105.19 105.52 1ttc n GLY 83 Ca 0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1ttc n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ttc s ILE 84 N -2.00 4.49 -0.47 -0.61 1.01 -0.74 -5.00 121.20 117.87 1ttc s ILE 84 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1ttc s ILE 84 Cb 0.00 -2.90 0.07 0.00 0.01 0.00 0.00 42.46 39.64 1ttc s ILE 84 CO 0.00 0.61 0.40 -0.55 0.00 0.00 0.00 174.94 175.39 1ttc s SER 85 N -0.88 6.15 0.61 3.58 0.15 -1.26 -2.92 113.70 119.12 1ttc s SER 85 Ca 0.13 -1.34 -0.07 0.00 0.70 0.00 0.00 55.95 55.37 1ttc s SER 85 Cb -0.11 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1ttc s SER 85 CO 0.03 -0.65 0.94 -2.16 1.20 0.00 0.00 173.24 172.59 1ttc s PRO 86 N 1.64 2.91 -0.10 5.44 0.04 -1.26 -5.00 135.00 138.67 1ttc s PRO 86 Ca 0.04 0.08 -0.21 0.00 0.04 0.00 0.00 61.00 60.95 1ttc s PRO 86 Cb -0.24 -2.22 -0.18 0.00 0.04 0.00 0.00 34.50 31.89 1ttc s PRO 86 CO 0.07 -0.76 0.70 0.35 0.04 0.00 0.00 177.00 177.39 1ttc h PHE 87 N -0.27 -0.06 -3.93 0.56 3.57 -1.54 -3.47 116.94 111.80 1ttc h PHE 87 Ca -0.45 -0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.59 1ttc h PHE 87 Cb 1.26 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1ttc h PHE 87 CO 0.48 0.55 0.30 -1.01 -2.23 0.00 0.00 178.31 176.40 1ttc s HIS 88 N -2.62 3.46 0.12 0.41 0.09 -1.26 -4.98 115.29 110.51 1ttc s HIS 88 Ca -0.13 1.60 -0.12 0.00 -0.00 0.00 0.00 55.06 56.41 1ttc s HIS 88 Cb -0.01 -2.82 -0.09 0.00 -0.00 0.00 0.00 32.58 29.66 1ttc s HIS 88 CO 0.50 0.05 1.40 0.93 -0.00 0.00 0.00 174.74 177.62 1ttc h GLU 89 N 2.45 0.87 -2.43 1.40 4.39 -1.98 -3.37 114.58 115.91 1ttc h GLU 89 Ca -0.48 -0.56 0.16 0.00 0.34 0.00 0.00 59.36 58.83 1ttc h GLU 89 Cb 1.18 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1ttc h GLU 89 CO 0.63 1.19 0.51 -3.38 -1.16 0.00 0.00 179.01 176.80 1ttc s HIS 90 N -4.13 -0.04 -0.01 4.33 -3.43 -1.26 -3.05 115.29 107.69 1ttc s HIS 90 Ca -0.11 -0.32 0.04 0.00 -0.80 0.00 0.00 55.06 53.88 1ttc s HIS 90 Cb 0.10 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.89 1ttc s HIS 90 CO 0.89 -0.90 -0.14 0.00 -2.00 0.00 0.00 174.74 172.59 1ttc s ALA 91 N -2.81 2.72 -0.02 -1.38 0.00 -0.66 -4.91 121.76 114.70 1ttc s ALA 91 Ca 0.16 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1ttc s ALA 91 Cb -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1ttc s ALA 91 CO 0.04 0.57 -0.19 -1.21 0.00 0.00 0.00 175.76 174.97 1ttc s GLU 92 N -1.07 1.66 -0.19 0.00 8.01 -1.26 0.51 118.70 126.37 1ttc s GLU 92 Ca 0.13 -0.70 -0.00 0.00 0.01 0.00 0.00 54.97 54.42 1ttc s GLU 92 Cb -0.11 -1.57 0.05 0.00 -4.31 0.00 0.00 34.13 28.19 1ttc s GLU 92 CO 0.03 0.39 -0.06 0.08 0.01 0.00 0.00 175.26 175.71 1ttc s VAL 93 N -0.37 1.28 -0.18 2.63 1.01 -0.42 -4.98 120.40 119.38 1ttc s VAL 93 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1ttc s VAL 93 Cb -0.08 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1ttc s VAL 93 CO -0.00 0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.33 1ttc s VAL 94 N 1.55 2.40 0.10 2.92 1.01 -1.26 -0.38 120.40 126.74 1ttc s VAL 94 Ca -0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1ttc s VAL 94 Cb -0.16 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1ttc s VAL 94 CO -0.08 0.52 0.28 0.72 0.00 0.00 0.00 175.10 176.54 1ttc s PHE 95 N 1.15 -0.01 -0.11 5.22 -0.71 -0.41 -5.00 117.98 118.11 1ttc s PHE 95 Ca 0.01 -0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 55.34 1ttc s PHE 95 Cb -0.14 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1ttc s PHE 95 CO -0.07 -0.61 0.50 0.99 -1.34 0.00 0.00 175.22 174.69 1ttc s THR 96 N -3.83 5.17 0.03 -4.49 2.01 -1.26 -0.27 115.64 113.00 1ttc s THR 96 Ca 0.04 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.12 1ttc s THR 96 Cb 0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1ttc s THR 96 CO -0.11 0.32 -0.22 0.00 -0.69 0.00 0.00 174.62 173.91 1ttc s ALA 97 N 0.64 2.42 -1.45 7.40 0.00 0.08 -4.82 121.76 126.03 1ttc s ALA 97 Ca 0.27 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1ttc s ALA 97 Cb -0.15 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.42 1ttc s ALA 97 CO 0.11 0.55 0.73 0.09 0.00 0.00 0.00 175.76 177.24 1ttc n ASN 98 N 1.76 -4.48 0.05 0.00 3.02 -1.26 -2.63 115.26 111.71 1ttc n ASN 98 Ca -0.17 -0.57 0.12 0.00 -0.03 0.00 0.00 54.58 53.93 1ttc n ASN 98 Cb 0.52 -3.63 0.48 0.00 -0.61 0.00 0.00 39.78 36.53 1ttc n ASN 98 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ttc n ASP 99 N -2.56 0.33 -2.39 6.41 8.00 -1.26 -2.96 116.55 122.11 1ttc n ASP 99 Ca 0.00 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 55.90 1ttc n ASP 99 Cb 0.54 -0.63 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1ttc n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ttc n SER 100 N -1.82 3.52 0.00 -2.24 7.64 -1.26 -5.09 113.62 114.36 1ttc n SER 100 Ca 0.05 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1ttc n SER 100 Cb 0.31 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1ttc n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttc n GLY 101 N -0.59 0.39 3.75 0.23 0.00 -1.16 -4.99 105.19 102.82 1ttc n GLY 101 Ca 0.28 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1ttc n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ttc s PRO 102 N -2.10 4.16 0.17 1.61 0.04 -1.26 -4.33 135.00 133.28 1ttc s PRO 102 Ca 0.00 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1ttc s PRO 102 Cb 0.00 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1ttc s PRO 102 CO 0.00 -0.59 0.05 1.03 0.04 0.00 0.00 177.00 177.53 1ttc s ARG 103 N -0.31 1.09 -0.13 4.56 1.81 -1.26 -4.39 118.95 120.31 1ttc s ARG 103 Ca 0.63 -1.54 -0.03 0.00 -1.72 0.00 0.00 55.73 53.08 1ttc s ARG 103 Cb -0.46 -0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.00 1ttc s ARG 103 CO 0.45 -0.23 -0.04 1.03 -0.68 0.00 0.00 175.30 175.83 1ttc s ARG 104 N -4.01 3.46 -0.11 3.54 0.52 -0.14 -4.85 118.95 117.36 1ttc s ARG 104 Ca 0.27 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1ttc s ARG 104 Cb 0.07 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1ttc s ARG 104 CO 0.05 0.36 -0.19 0.71 0.02 0.00 0.00 175.30 176.25 1ttc s TYR 105 N 0.04 2.67 -0.21 -0.53 1.51 0.22 -1.50 117.35 119.55 1ttc s TYR 105 Ca 0.00 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1ttc s TYR 105 Cb -0.13 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1ttc s TYR 105 CO 0.03 -0.27 -0.11 0.99 -1.11 0.00 0.00 175.55 175.07 1ttc s THR 106 N 0.24 2.75 -0.24 -0.71 2.01 0.19 -1.43 115.64 118.46 1ttc s THR 106 Ca -0.12 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1ttc s THR 106 Cb -0.16 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1ttc s THR 106 CO 0.07 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 173.90 1ttc s ILE 107 N 1.37 4.88 0.00 1.82 -1.09 -0.03 -1.71 121.20 126.44 1ttc s ILE 107 Ca 0.04 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 1ttc s ILE 107 Cb -0.14 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1ttc s ILE 107 CO -0.07 0.35 -0.14 0.00 -1.23 0.00 0.00 174.94 173.85 1ttc s ALA 108 N 1.21 2.72 -0.01 9.38 0.00 -0.37 -0.84 121.76 133.86 1ttc s ALA 108 Ca 0.06 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ttc s ALA 108 Cb -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1ttc s ALA 108 CO 0.05 0.58 -0.01 0.00 0.00 0.00 0.00 175.76 176.37 1ttc s ALA 109 N -0.88 0.16 -0.16 0.00 0.00 0.07 -1.63 121.76 119.32 1ttc s ALA 109 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1ttc s ALA 109 Cb -0.11 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1ttc s ALA 109 CO 0.04 0.01 -0.20 -1.17 0.00 0.00 0.00 175.76 174.44 1ttc s LEU 110 N 0.19 2.10 -0.06 0.00 2.96 -0.48 -1.53 118.68 121.85 1ttc s LEU 110 Ca -0.02 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1ttc s LEU 110 Cb -0.03 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1ttc s LEU 110 CO -0.01 0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.25 1ttc s LEU 111 N 1.13 3.30 0.05 -0.68 1.43 -0.44 -1.82 118.68 121.64 1ttc s LEU 111 Ca 0.01 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1ttc s LEU 111 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1ttc s LEU 111 CO -0.09 0.36 -0.04 -0.55 0.23 0.00 0.00 176.35 176.26 1ttc s SER 112 N -0.92 0.53 0.37 2.29 0.15 -0.10 -1.37 113.70 114.66 1ttc s SER 112 Ca 0.13 -0.81 0.10 0.00 0.70 0.00 0.00 55.95 56.07 1ttc s SER 112 Cb -0.11 0.14 0.86 0.00 -1.71 0.00 0.00 66.02 65.20 1ttc s SER 112 CO 0.03 -0.46 1.90 -0.65 1.20 0.00 0.00 173.24 175.26 1ttc h PRO 113 N 3.69 0.62 -0.09 5.44 0.11 -1.99 -2.99 132.00 136.80 1ttc h PRO 113 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ttc h PRO 113 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ttc h PRO 113 CO 0.56 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 1ttc n TYR 114 N -4.53 0.19 -3.56 0.65 4.02 -1.26 -1.25 117.16 111.43 1ttc n TYR 114 Ca 0.15 -0.71 -0.14 0.00 -0.01 0.00 0.00 57.90 57.19 1ttc n TYR 114 Cb 0.44 -0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 1ttc n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1ttc s SER 115 N -1.73 -0.57 0.01 7.72 1.04 -1.13 -4.99 113.70 114.06 1ttc s SER 115 Ca 0.19 0.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 1ttc s SER 115 Cb 0.15 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.92 1ttc s SER 115 CO 0.05 -0.43 0.22 -0.72 0.98 0.00 0.00 173.24 173.33 1ttc s TYR 116 N -0.80 -0.04 0.03 5.02 -0.85 -1.26 -0.92 117.35 118.53 1ttc s TYR 116 Ca -0.05 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1ttc s TYR 116 Cb -0.01 0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 1ttc s TYR 116 CO 0.05 -0.37 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.49 1ttc s SER 117 N -1.59 1.01 0.00 -0.18 0.01 -0.76 -5.00 113.70 107.20 1ttc s SER 117 Ca -0.11 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.73 1ttc s SER 117 Cb -0.05 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ttc s SER 117 CO 0.01 -0.08 -0.02 0.28 0.41 0.00 0.00 173.24 173.83 1ttc s THR 118 N -0.96 0.17 0.08 1.44 -1.32 -1.26 -1.38 115.64 112.42 1ttc s THR 118 Ca -0.04 -0.17 -0.06 0.00 -1.21 0.00 0.00 61.69 60.21 1ttc s THR 118 Cb -0.08 -0.17 -0.02 0.00 -1.51 0.00 0.00 72.50 70.73 1ttc s THR 118 CO 0.01 -0.00 0.11 0.28 -2.21 0.00 0.00 174.62 172.80 1ttc s THR 119 N -0.18 0.17 0.05 5.08 -1.32 -0.64 -5.01 115.64 113.79 1ttc s THR 119 Ca -0.01 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.07 1ttc s THR 119 Cb -0.02 -1.46 -0.02 0.00 -1.51 0.00 0.00 72.50 69.49 1ttc s THR 119 CO -0.00 -0.75 -0.12 0.00 -2.21 0.00 0.00 174.62 171.53 1ttc s ALA 120 N -3.90 1.02 -0.15 11.08 0.00 -1.26 -1.23 121.76 127.32 1ttc s ALA 120 Ca 0.07 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1ttc s ALA 120 Cb 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1ttc s ALA 120 CO -0.10 0.14 -0.18 0.08 0.00 0.00 0.00 175.76 175.70 1ttc s VAL 121 N -1.11 1.87 -0.14 0.00 1.01 -0.69 -4.99 120.40 116.35 1ttc s VAL 121 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ttc s VAL 121 Cb -0.09 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 1ttc s VAL 121 CO 0.01 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1ttc s VAL 122 N 1.19 2.67 0.10 2.92 1.01 -1.26 -0.63 120.40 126.40 1ttc s VAL 122 Ca 0.01 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1ttc s VAL 122 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1ttc s VAL 122 CO -0.08 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.42 1ttc s THR 123 N 0.62 1.94 -0.47 3.92 2.01 -0.56 -4.97 115.64 118.12 1ttc s THR 123 Ca -0.09 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1ttc s THR 123 Cb -0.16 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.66 1ttc s THR 123 CO 0.03 0.05 0.69 0.21 -0.69 0.00 0.00 174.62 174.91 1ttc s ASN 124 N -1.85 6.31 -0.55 3.53 2.47 -1.26 -0.97 114.94 122.62 1ttc s ASN 124 Ca 0.10 -0.44 -0.05 0.00 0.42 0.00 0.00 52.86 52.89 1ttc s ASN 124 Cb -0.10 -2.34 -0.19 0.00 -1.45 0.00 0.00 41.25 37.18 1ttc s ASN 124 CO 0.05 -0.88 1.30 -0.81 -3.72 0.00 0.00 177.10 173.04 1ttc n PRO 125 N 6.45 0.00 0.00 0.43 -0.04 -1.26 -4.89 135.00 135.69 1ttc n PRO 125 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1ttc n PRO 125 Cb 0.47 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 1ttc n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ttc n LYS 126 N 3.55 0.00 0.00 0.54 5.02 -1.26 -5.11 118.16 120.90 1ttc n LYS 126 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1ttc n LYS 126 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 1ttc n LYS 126 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27