#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsh s PRO 2 N 0.00 2.81 0.11 1.61 0.04 -1.26 -5.02 135.00 133.29 1tsh s PRO 2 Ca 0.00 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 1tsh s PRO 2 Cb 0.00 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1tsh s PRO 2 CO 0.00 -1.34 0.71 -2.37 0.04 0.00 0.00 177.00 174.04 1tsh n THR 3 N -1.76 0.00 -2.81 1.26 5.66 -1.24 -4.83 114.28 110.55 1tsh n THR 3 Ca 0.14 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1tsh n THR 3 Cb 0.49 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1tsh n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tsh n GLY 4 N -0.50 1.42 0.40 1.09 0.00 0.82 -4.47 105.19 103.94 1tsh n GLY 4 Ca -0.01 -0.69 0.25 0.00 0.00 0.00 0.00 46.02 45.57 1tsh n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1tsh h THR 5 N 0.16 0.42 -0.97 2.61 2.02 -1.08 -3.37 112.91 112.70 1tsh h THR 5 Ca 0.00 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1tsh h THR 5 Cb 0.00 0.04 -0.21 0.00 -1.74 0.00 0.00 68.15 66.24 1tsh h THR 5 CO 0.00 0.06 -0.38 -0.83 0.37 0.00 0.00 175.52 174.75 1tsh s GLY 6 N -4.00 -1.26 -0.26 2.16 0.00 -1.02 -4.94 107.32 98.00 1tsh s GLY 6 Ca -0.09 0.96 -0.29 0.00 0.00 0.00 0.00 44.72 45.30 1tsh s GLY 6 CO 0.80 3.70 1.58 1.85 0.00 0.00 0.00 173.10 181.04 1tsh s GLU 7 N 2.68 3.73 0.01 2.90 -6.30 -1.02 -2.66 118.70 118.03 1tsh s GLU 7 Ca 0.11 1.52 -0.00 0.00 -2.50 0.00 0.00 54.97 54.10 1tsh s GLU 7 Cb -0.09 -4.04 0.00 0.00 0.00 0.00 0.00 34.13 30.01 1tsh s GLU 7 CO -0.23 -1.37 0.01 0.43 0.02 0.00 0.00 175.26 174.12 1tsh n SER 8 N 8.62 -0.03 -4.56 -1.70 7.64 -1.26 -4.98 113.62 117.35 1tsh n SER 8 Ca 0.19 -1.03 -0.13 0.00 1.01 0.00 0.00 58.87 58.90 1tsh n SER 8 Cb 0.46 0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1tsh n SER 8 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1tsh n LYS 9 N -0.01 0.47 -0.86 1.43 4.81 -1.26 -4.59 118.16 118.16 1tsh n LYS 9 Ca -0.00 -0.93 -0.25 0.00 -0.87 0.00 0.00 58.31 56.26 1tsh n LYS 9 Cb 0.01 -3.62 -0.09 0.00 0.02 0.00 0.00 35.03 31.35 1tsh n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tsh h PRO 11 N 6.79 0.00 -3.46 0.00 0.11 -1.85 -3.43 132.00 130.16 1tsh h PRO 11 Ca -0.03 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.76 1tsh h PRO 11 Cb 0.77 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.52 1tsh h PRO 11 CO 0.79 0.00 -0.73 -1.17 -0.21 0.00 0.00 178.00 176.68 1tsh s LEU 12 N -5.95 0.81 0.03 2.35 2.96 -1.25 -0.37 118.68 117.26 1tsh s LEU 12 Ca 0.05 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1tsh s LEU 12 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 1tsh s LEU 12 CO 0.70 -0.16 -0.07 -0.32 -1.32 0.00 0.00 176.35 175.17 1tsh s MET 13 N 1.38 0.49 -0.04 1.98 1.75 0.80 -4.56 119.30 121.10 1tsh s MET 13 Ca -0.05 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.84 1tsh s MET 13 Cb -0.13 -0.30 -0.01 0.00 2.84 0.00 0.00 34.83 37.23 1tsh s MET 13 CO -0.03 0.06 -0.21 0.08 -0.65 0.00 0.00 175.02 174.27 1tsh s VAL 14 N -1.05 1.72 -0.07 10.11 1.01 -0.67 -0.97 120.40 130.47 1tsh s VAL 14 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1tsh s VAL 14 Cb -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1tsh s VAL 14 CO 0.00 0.48 -0.05 -0.75 0.00 0.00 0.00 175.10 174.78 1tsh s LYS 15 N -0.15 1.10 -0.05 2.72 2.36 -0.43 -0.56 119.74 124.72 1tsh s LYS 15 Ca -0.01 -0.14 0.06 0.00 -2.55 0.00 0.00 55.97 53.33 1tsh s LYS 15 Cb -0.12 -1.18 -0.01 0.00 -1.05 0.00 0.00 37.83 35.48 1tsh s LYS 15 CO 0.02 -0.18 -0.23 0.08 1.55 0.00 0.00 175.35 176.59 1tsh s VAL 16 N 1.40 1.92 0.14 4.02 1.01 0.01 -0.98 120.40 127.92 1tsh s VAL 16 Ca -0.03 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1tsh s VAL 16 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1tsh s VAL 16 CO -0.03 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 174.66 1tsh s LEU 17 N -0.13 2.39 -0.33 3.92 1.43 0.37 -0.94 118.68 125.39 1tsh s LEU 17 Ca -0.03 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1tsh s LEU 17 Cb -0.13 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1tsh s LEU 17 CO 0.03 -0.03 0.14 -0.62 0.23 0.00 0.00 176.35 176.11 1tsh s ASP 18 N -2.40 5.46 0.00 2.29 -1.08 0.45 -0.23 116.67 121.16 1tsh s ASP 18 Ca 0.12 -0.85 0.29 0.00 -0.52 0.00 0.00 52.55 51.59 1tsh s ASP 18 Cb -0.07 -1.95 1.28 0.00 -1.46 0.00 0.00 42.92 40.71 1tsh s ASP 18 CO 0.05 -0.28 1.94 0.00 0.52 0.00 0.00 175.17 177.40 1tsh n ALA 19 N 4.93 2.34 -0.03 3.66 0.00 0.26 -1.31 120.51 130.35 1tsh n ALA 19 Ca -0.13 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1tsh n ALA 19 Cb 0.47 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 1tsh n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tsh h VAL 20 N 0.00 0.75 0.00 0.00 2.07 -1.94 -3.40 116.25 113.73 1tsh h VAL 20 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1tsh h VAL 20 Cb 0.46 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1tsh h VAL 20 CO 0.00 0.67 -1.12 0.54 0.02 0.00 0.00 177.57 177.68 1tsh n ARG 21 N -3.86 0.20 -2.88 1.57 1.74 -1.24 -4.99 116.66 107.20 1tsh n ARG 21 Ca -0.32 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.63 1tsh n ARG 21 Cb 0.91 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.86 1tsh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tsh n GLY 22 N 1.42 -0.05 3.50 -0.13 0.00 -0.43 -5.03 105.19 104.47 1tsh n GLY 22 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1tsh n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tsh s SER 23 N -3.83 -0.08 0.59 1.61 1.04 -1.13 -5.01 113.70 106.89 1tsh s SER 23 Ca 0.00 -0.84 -0.18 0.00 0.48 0.00 0.00 55.95 55.41 1tsh s SER 23 Cb -0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1tsh s SER 23 CO 0.45 -1.05 1.12 -2.16 0.98 0.00 0.00 173.24 172.58 1tsh s PRO 24 N -3.98 3.13 -0.49 4.02 0.04 -1.26 -0.41 135.00 136.05 1tsh s PRO 24 Ca 0.19 1.52 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 1tsh s PRO 24 Cb 0.00 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1tsh s PRO 24 CO 0.05 -1.01 0.72 0.00 0.04 0.00 0.00 177.00 176.79 1tsh s ALA 25 N -2.00 3.31 0.22 8.56 0.00 -0.12 -4.57 121.76 127.16 1tsh s ALA 25 Ca 0.70 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1tsh s ALA 25 Cb -0.22 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1tsh s ALA 25 CO 0.33 -2.01 0.57 0.42 0.00 0.00 0.00 175.76 175.06 1tsh s ILE 26 N 3.04 4.89 -1.44 0.00 1.01 -1.26 -4.37 121.20 123.08 1tsh s ILE 26 Ca 0.22 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 1tsh s ILE 26 Cb -0.15 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.72 1tsh s ILE 26 CO 0.17 -0.00 0.68 0.59 0.00 0.00 0.00 174.94 176.38 1tsh n ASN 27 N 0.08 -4.98 -4.73 3.58 4.13 -0.69 -4.91 115.26 107.73 1tsh n ASN 27 Ca -0.01 -0.45 -0.38 0.00 1.68 0.00 0.00 54.58 55.43 1tsh n ASN 27 Cb 0.52 -4.03 -0.06 0.00 -1.54 0.00 0.00 39.78 34.67 1tsh n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1tsh s VAL 28 N -3.12 5.13 0.13 2.41 1.01 -1.26 -4.72 120.40 119.97 1tsh s VAL 28 Ca 0.44 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 1tsh s VAL 28 Cb -0.21 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1tsh s VAL 28 CO 0.54 0.35 1.03 0.00 0.00 0.00 0.00 175.10 177.01 1tsh s ALA 29 N 0.43 3.29 -0.07 5.51 0.00 -1.26 -0.86 121.76 128.80 1tsh s ALA 29 Ca 0.28 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1tsh s ALA 29 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1tsh s ALA 29 CO 0.12 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.73 1tsh s VAL 30 N 0.04 1.08 -0.11 0.00 1.01 0.57 -1.43 120.40 121.55 1tsh s VAL 30 Ca 0.49 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1tsh s VAL 30 Cb -0.26 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1tsh s VAL 30 CO 0.31 0.35 -0.22 -1.00 0.00 0.00 0.00 175.10 174.54 1tsh s HIS 31 N 0.87 2.62 -0.09 5.22 3.76 -0.16 -1.26 115.29 126.24 1tsh s HIS 31 Ca -0.11 -1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 53.77 1tsh s HIS 31 Cb -0.15 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1tsh s HIS 31 CO 0.01 -0.41 -0.03 0.08 -0.85 0.00 0.00 174.74 173.54 1tsh s VAL 32 N 0.41 4.02 0.09 -0.90 1.01 0.15 -0.64 120.40 124.54 1tsh s VAL 32 Ca -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1tsh s VAL 32 Cb -0.17 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1tsh s VAL 32 CO 0.07 0.58 -0.13 -0.36 0.00 0.00 0.00 175.10 175.26 1tsh s PHE 33 N -0.65 1.24 -0.08 5.22 0.08 0.20 -0.21 117.98 123.77 1tsh s PHE 33 Ca 0.10 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.67 1tsh s PHE 33 Cb -0.12 -0.68 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1tsh s PHE 33 CO 0.02 0.07 -0.23 0.50 -0.10 0.00 0.00 175.22 175.48 1tsh s ARG 34 N -2.24 2.77 -0.12 0.44 3.52 -0.22 -0.92 118.95 122.19 1tsh s ARG 34 Ca 0.03 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.49 1tsh s ARG 34 Cb -0.07 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1tsh s ARG 34 CO 0.02 0.22 1.54 0.21 -0.81 0.00 0.00 175.30 176.49 1tsh s LYS 35 N 0.23 4.10 0.85 5.12 2.20 -0.63 -0.13 119.74 131.47 1tsh s LYS 35 Ca -0.14 1.92 -0.13 0.00 -0.36 0.00 0.00 55.97 57.26 1tsh s LYS 35 Cb -0.17 -3.94 0.11 0.00 -1.51 0.00 0.00 37.83 32.32 1tsh s LYS 35 CO 0.07 -0.92 1.19 0.00 -0.36 0.00 0.00 175.35 175.33 1tsh s ALA 36 N 4.18 2.41 0.34 3.13 0.00 0.66 -4.76 121.76 127.72 1tsh s ALA 36 Ca 0.68 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1tsh s ALA 36 Cb -0.28 -2.95 0.77 0.00 0.00 0.00 0.00 23.12 20.66 1tsh s ALA 36 CO 0.26 -1.91 1.85 0.00 0.00 0.00 0.00 175.76 175.95 1tsh h ALA 37 N -1.23 1.78 -0.22 0.00 0.00 -1.94 0.21 119.26 117.85 1tsh h ALA 37 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tsh h ALA 37 Cb 1.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1tsh h ALA 37 CO 0.61 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 1tsh n ASP 38 N -4.60 2.28 0.00 0.00 5.75 -1.26 -4.89 116.55 113.83 1tsh n ASP 38 Ca 0.19 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1tsh n ASP 38 Cb 0.48 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1tsh n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tsh n ASP 39 N 0.23 -4.77 -4.91 -1.12 9.92 0.73 -5.01 116.55 111.62 1tsh n ASP 39 Ca 0.09 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.08 1tsh n ASP 39 Cb 0.47 -2.27 -0.02 0.00 -0.64 0.00 0.00 41.12 38.66 1tsh n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1tsh s THR 40 N -1.41 5.00 -0.75 -3.53 -4.23 -1.26 -4.73 115.64 104.73 1tsh s THR 40 Ca 0.00 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 1tsh s THR 40 Cb 0.00 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.11 1tsh s THR 40 CO 0.00 -0.53 1.10 0.26 -0.54 0.00 0.00 174.62 174.92 1tsh s TRP 41 N -2.32 2.64 0.04 3.99 0.52 -1.26 -0.25 118.94 122.29 1tsh s TRP 41 Ca 0.44 -0.59 -0.30 0.00 0.02 0.00 0.00 56.10 55.66 1tsh s TRP 41 Cb -0.10 -4.40 -0.06 0.00 -1.15 0.00 0.00 33.47 27.76 1tsh s TRP 41 CO 0.35 -1.75 1.27 -2.00 0.02 0.00 0.00 176.95 174.85 1tsh s GLU 42 N 4.31 4.37 0.31 4.98 2.12 0.82 -4.79 118.70 130.81 1tsh s GLU 42 Ca 0.29 1.85 -0.29 0.00 0.36 0.00 0.00 54.97 57.17 1tsh s GLU 42 Cb -0.12 -3.42 -0.12 0.00 0.26 0.00 0.00 34.13 30.73 1tsh s GLU 42 CO 0.06 -0.39 1.38 -2.30 -0.54 0.00 0.00 175.26 173.47 1tsh n PRO 43 N 4.48 2.21 0.01 4.30 -0.02 -1.26 -1.05 135.00 143.67 1tsh n PRO 43 Ca 0.11 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1tsh n PRO 43 Cb 0.45 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1tsh n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tsh n PHE 44 N 1.06 -0.02 -3.54 6.00 7.35 0.70 -4.76 117.46 124.26 1tsh n PHE 44 Ca 0.07 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 1tsh n PHE 44 Cb 0.35 0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 1tsh n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tsh s ALA 45 N -2.00 -1.51 0.18 3.13 0.00 -0.87 -4.80 121.76 115.89 1tsh s ALA 45 Ca 0.00 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 1tsh s ALA 45 Cb 0.00 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1tsh s ALA 45 CO 0.00 -0.84 0.69 -1.54 0.00 0.00 0.00 175.76 174.07 1tsh s SER 46 N -2.79 -0.43 0.00 0.00 1.04 -1.26 0.31 113.70 110.57 1tsh s SER 46 Ca 0.04 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1tsh s SER 46 Cb -0.02 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1tsh s SER 46 CO -0.08 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1tsh n GLY 47 N -0.40 -1.27 3.21 7.32 0.00 -0.39 -4.60 105.19 109.06 1tsh n GLY 47 Ca -0.12 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 1tsh n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsh s LYS 48 N -1.00 1.45 0.57 1.61 -0.14 -1.26 -0.32 119.74 120.65 1tsh s LYS 48 Ca 0.00 -0.77 -0.19 0.00 -1.36 0.00 0.00 55.97 53.64 1tsh s LYS 48 Cb 0.00 -1.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.65 1tsh s LYS 48 CO 0.00 0.39 1.21 0.95 -0.76 0.00 0.00 175.35 177.14 1tsh s THR 49 N -0.59 2.67 0.14 2.17 -4.23 -0.04 -4.83 115.64 110.94 1tsh s THR 49 Ca 0.07 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.99 1tsh s THR 49 Cb -0.08 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.61 1tsh s THR 49 CO 0.00 -0.08 0.19 -1.54 -0.54 0.00 0.00 174.62 172.65 1tsh n SER 50 N -1.43 0.01 0.28 3.99 3.41 -0.03 -1.70 113.62 118.15 1tsh n SER 50 Ca 0.13 -1.07 0.16 0.00 -0.26 0.00 0.00 58.87 57.83 1tsh n SER 50 Cb 0.49 -0.14 0.76 0.00 -0.26 0.00 0.00 64.21 65.06 1tsh n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tsh h GLU 51 N 0.00 0.00 -0.42 4.33 4.39 -1.94 -1.24 114.58 119.70 1tsh h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1tsh h GLU 51 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1tsh h GLU 51 CO 0.04 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 176.82 1tsh n SER 52 N -3.25 2.58 -0.45 1.42 3.41 -1.26 -4.80 113.62 111.27 1tsh n SER 52 Ca -0.01 -1.94 -0.06 0.00 -0.26 0.00 0.00 58.87 56.61 1tsh n SER 52 Cb 0.27 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1tsh n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tsh n GLY 53 N 1.29 0.81 3.65 5.00 0.00 -0.47 -4.83 105.19 110.65 1tsh n GLY 53 Ca 0.17 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1tsh n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tsh s GLU 54 N -2.17 2.35 -0.09 1.61 2.02 -1.26 -0.81 118.70 120.35 1tsh s GLU 54 Ca 0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 1tsh s GLU 54 Cb 0.00 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 32.01 1tsh s GLU 54 CO 0.00 0.41 0.02 -1.17 0.02 0.00 0.00 175.26 174.54 1tsh s LEU 55 N -3.32 0.58 0.00 1.80 0.20 0.28 -0.85 118.68 117.37 1tsh s LEU 55 Ca 0.29 -0.20 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1tsh s LEU 55 Cb -0.08 -0.40 -0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1tsh s LEU 55 CO 0.19 -0.23 0.01 1.41 -0.29 0.00 0.00 176.35 177.44 1tsh n HIS 56 N 5.17 0.28 -1.80 5.38 8.25 -1.26 -1.67 115.22 129.56 1tsh n HIS 56 Ca -0.07 -0.81 -0.13 0.00 -0.26 0.00 0.00 57.72 56.45 1tsh n HIS 56 Cb 0.50 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 1tsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tsh n GLY 57 N 2.55 0.51 0.21 -1.41 0.00 -1.26 -3.70 105.19 102.08 1tsh n GLY 57 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1tsh n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tsh h LEU 58 N 0.00 0.70 -8.21 0.99 3.38 -1.78 0.24 115.31 110.63 1tsh h LEU 58 Ca -0.27 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.14 1tsh h LEU 58 Cb 0.98 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.41 1tsh h LEU 58 CO 0.37 0.97 -0.42 0.28 0.09 0.00 0.00 178.44 179.72 1tsh s THR 59 N -4.54 0.07 0.34 0.22 -1.32 -1.18 -0.96 115.64 108.26 1tsh s THR 59 Ca -0.13 -1.57 0.08 0.00 -1.21 0.00 0.00 61.69 58.87 1tsh s THR 59 Cb 0.09 -1.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1tsh s THR 59 CO 0.81 -0.33 0.20 0.00 -2.21 0.00 0.00 174.62 173.09 1tsh s ALA 60 N -4.00 3.63 0.34 11.08 0.00 -1.09 -4.15 121.76 127.58 1tsh s ALA 60 Ca 0.20 -1.75 0.11 0.00 0.00 0.00 0.00 51.96 50.52 1tsh s ALA 60 Cb 0.05 -0.91 0.62 0.00 0.00 0.00 0.00 23.12 22.87 1tsh s ALA 60 CO 0.01 0.03 1.78 1.49 0.00 0.00 0.00 175.76 179.07 1tsh h GLU 61 N 1.44 0.06 -0.85 0.00 4.81 -1.91 -2.93 114.58 115.20 1tsh h GLU 61 Ca -0.44 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1tsh h GLU 61 Cb 1.25 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1tsh h GLU 61 CO 0.61 0.45 0.55 1.49 -0.73 0.00 0.00 179.01 181.39 1tsh h GLU 62 N 0.05 1.08 -0.01 1.92 4.22 -2.01 -3.00 114.58 116.84 1tsh h GLU 62 Ca 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1tsh h GLU 62 Cb 0.74 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1tsh h GLU 62 CO 0.05 0.71 -0.39 -0.85 -2.18 0.00 0.00 179.01 176.36 1tsh n GLU 63 N -4.52 0.72 -2.57 1.92 0.28 -1.19 -4.62 120.64 110.66 1tsh n GLU 63 Ca 0.10 -0.48 -0.43 0.00 -0.16 0.00 0.00 57.16 56.18 1tsh n GLU 63 Cb 0.04 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.43 1tsh n GLU 63 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1tsh n PHE 64 N -0.72 3.98 -2.57 -1.84 7.35 -1.11 -4.98 117.46 117.58 1tsh n PHE 64 Ca 0.10 -3.05 -0.24 0.00 -0.76 0.00 0.00 57.45 53.50 1tsh n PHE 64 Cb 0.37 -2.15 0.04 0.00 0.35 0.00 0.00 39.48 38.09 1tsh n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tsh s VAL 65 N 1.38 3.08 0.43 -2.13 -7.23 -1.26 -4.99 120.40 109.67 1tsh s VAL 65 Ca 0.43 -0.40 -0.25 0.00 -1.81 0.00 0.00 61.98 59.95 1tsh s VAL 65 Cb 0.04 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.69 1tsh s VAL 65 CO 0.00 -0.17 1.21 -0.62 -0.31 0.00 0.00 175.10 175.21 1tsh n GLU 66 N -2.46 1.75 -3.67 4.82 1.02 -1.26 -4.89 120.64 115.95 1tsh n GLU 66 Ca 0.06 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1tsh n GLU 66 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1tsh n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tsh n GLY 67 N 0.91 -2.17 3.66 0.62 0.00 -0.98 -4.97 105.19 102.27 1tsh n GLY 67 Ca 0.08 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1tsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tsh s ILE 68 N -2.17 5.11 0.16 -0.61 1.01 -1.26 -0.50 121.20 122.95 1tsh s ILE 68 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.85 1tsh s ILE 68 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1tsh s ILE 68 CO 0.00 0.42 -0.25 -0.31 0.00 0.00 0.00 174.94 174.80 1tsh s TYR 69 N 0.59 2.28 -0.07 3.97 1.51 0.50 -1.61 117.35 124.52 1tsh s TYR 69 Ca 0.06 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1tsh s TYR 69 Cb -0.12 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1tsh s TYR 69 CO 0.01 0.42 -0.04 0.21 -1.11 0.00 0.00 175.55 175.04 1tsh s LYS 70 N -2.41 0.91 -0.28 -0.62 2.20 -0.09 -1.26 119.74 118.18 1tsh s LYS 70 Ca 0.17 -0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.66 1tsh s LYS 70 Cb -0.09 -1.04 0.01 0.00 -1.51 0.00 0.00 37.83 35.20 1tsh s LYS 70 CO 0.08 -0.19 0.05 0.08 -0.36 0.00 0.00 175.35 175.02 1tsh s VAL 71 N 1.41 3.82 -0.22 4.02 1.01 0.28 -0.63 120.40 130.10 1tsh s VAL 71 Ca -0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1tsh s VAL 71 Cb -0.13 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1tsh s VAL 71 CO -0.03 0.14 0.06 -0.70 0.00 0.00 0.00 175.10 174.57 1tsh s GLU 72 N 1.49 3.79 -0.22 2.72 2.12 0.19 -0.38 118.70 128.40 1tsh s GLU 72 Ca 0.03 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 1tsh s GLU 72 Cb -0.17 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1tsh s GLU 72 CO 0.01 0.03 -0.02 0.42 -0.54 0.00 0.00 175.26 175.16 1tsh s ILE 73 N 1.04 3.54 -1.30 -3.70 1.01 0.11 -0.99 121.20 120.90 1tsh s ILE 73 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1tsh s ILE 73 Cb -0.14 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.76 1tsh s ILE 73 CO 0.03 0.41 1.80 -0.67 0.00 0.00 0.00 174.94 176.50 1tsh n ASP 74 N 4.79 4.68 0.12 3.58 -0.08 -0.52 -0.92 116.55 128.20 1tsh n ASP 74 Ca -0.18 -2.89 -0.01 0.00 -1.51 0.00 0.00 54.79 50.20 1tsh n ASP 74 Cb 0.51 -1.74 0.07 0.00 2.34 0.00 0.00 41.12 42.30 1tsh n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1tsh h THR 75 N 5.49 1.28 -0.39 5.18 1.35 -1.87 -3.26 112.91 120.69 1tsh h THR 75 Ca 0.44 -2.47 -0.05 0.00 -0.55 0.00 0.00 66.41 63.78 1tsh h THR 75 Cb 0.86 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1tsh h THR 75 CO 1.48 0.66 0.04 0.50 -0.25 0.00 0.00 175.52 177.94 1tsh h LYS 76 N 0.00 0.65 -0.82 4.72 3.64 -1.75 -2.21 116.57 120.80 1tsh h LYS 76 Ca -0.01 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1tsh h LYS 76 Cb 1.36 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 1tsh h LYS 76 CO 0.09 0.73 0.54 0.77 -2.27 0.00 0.00 179.45 179.30 1tsh h SER 77 N 0.49 0.92 -0.16 4.20 0.02 -1.87 -1.16 113.55 115.99 1tsh h SER 77 Ca 0.11 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1tsh h SER 77 Cb 0.40 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1tsh h SER 77 CO 0.01 0.65 0.08 0.22 -1.14 0.00 0.00 176.83 176.65 1tsh h TYR 78 N 1.08 0.14 -0.06 3.45 3.20 -1.53 -0.60 116.97 122.65 1tsh h TYR 78 Ca 0.31 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1tsh h TYR 78 Cb -0.08 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1tsh h TYR 78 CO -0.02 0.08 -0.53 -1.49 -1.64 0.00 0.00 178.16 174.57 1tsh h TRP 79 N 0.17 0.20 -0.29 -3.82 4.06 -1.17 -2.79 115.95 112.31 1tsh h TRP 79 Ca 0.06 -0.07 -0.11 0.00 2.06 0.00 0.00 58.89 60.83 1tsh h TRP 79 Cb 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1tsh h TRP 79 CO -0.09 0.66 -0.30 0.87 -3.56 0.00 0.00 178.44 176.02 1tsh h LYS 80 N 0.13 0.60 0.00 0.49 1.57 -0.96 -1.07 116.57 117.33 1tsh h LYS 80 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1tsh h LYS 80 Cb 0.97 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1tsh h LYS 80 CO 0.08 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1tsh n ALA 81 N -2.50 1.35 0.02 3.86 0.00 -0.25 -1.69 120.51 121.30 1tsh n ALA 81 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1tsh n ALA 81 Cb 0.45 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.84 1tsh n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tsh n LEU 82 N -1.55 2.25 -0.23 0.00 4.32 -0.84 -4.98 117.00 115.97 1tsh n LEU 82 Ca 0.02 -1.68 -0.03 0.00 -0.02 0.00 0.00 56.01 54.30 1tsh n LEU 82 Cb 0.09 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1tsh n LEU 82 CO 0.08 0.54 -0.03 0.61 -1.22 0.00 0.00 177.39 177.37 1tsh n GLY 83 N 0.21 0.59 3.35 -0.72 0.00 -0.68 -5.03 105.19 102.90 1tsh n GLY 83 Ca 0.06 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1tsh n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tsh s ILE 84 N -2.11 2.65 -0.24 -0.61 1.01 -0.46 -5.03 121.20 116.40 1tsh s ILE 84 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 1tsh s ILE 84 Cb 0.00 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 1tsh s ILE 84 CO 0.00 0.56 0.85 -0.55 0.00 0.00 0.00 174.94 175.79 1tsh s SER 85 N -0.05 6.85 0.52 3.58 0.15 -1.26 -3.54 113.70 119.95 1tsh s SER 85 Ca -0.05 1.06 0.01 0.00 0.70 0.00 0.00 55.95 57.67 1tsh s SER 85 Cb -0.14 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1tsh s SER 85 CO 0.04 -0.53 0.74 -2.16 1.20 0.00 0.00 173.24 172.53 1tsh s PRO 86 N 2.88 2.72 -0.20 5.44 0.04 -1.26 -4.90 135.00 139.72 1tsh s PRO 86 Ca 0.36 -0.70 -0.05 0.00 0.04 0.00 0.00 61.00 60.65 1tsh s PRO 86 Cb -0.15 -2.52 -0.21 0.00 0.04 0.00 0.00 34.50 31.67 1tsh s PRO 86 CO 0.07 -0.56 0.04 0.34 0.04 0.00 0.00 177.00 176.94 1tsh n PHE 87 N -2.25 0.61 -3.01 0.56 7.35 -0.19 -4.97 117.46 115.57 1tsh n PHE 87 Ca 0.06 0.15 -0.35 0.00 -0.76 0.00 0.00 57.45 56.55 1tsh n PHE 87 Cb 0.59 -1.08 -0.06 0.00 0.35 0.00 0.00 39.48 39.28 1tsh n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1tsh s HIS 88 N -2.52 3.53 0.16 -5.13 3.76 -1.26 -4.97 115.29 108.85 1tsh s HIS 88 Ca -0.30 1.45 -0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1tsh s HIS 88 Cb 0.08 -2.69 0.02 0.00 1.11 0.00 0.00 32.58 31.10 1tsh s HIS 88 CO 0.66 0.18 1.42 0.93 -0.85 0.00 0.00 174.74 177.07 1tsh h GLU 89 N 2.81 0.49 -2.39 1.40 4.39 -1.97 -3.38 114.58 115.93 1tsh h GLU 89 Ca -0.48 -0.40 0.22 0.00 0.34 0.00 0.00 59.36 59.04 1tsh h GLU 89 Cb 1.19 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1tsh h GLU 89 CO 0.65 1.02 0.68 -3.38 -1.16 0.00 0.00 179.01 176.82 1tsh s HIS 90 N -3.68 0.05 -0.10 4.33 -3.43 -1.26 -3.79 115.29 107.42 1tsh s HIS 90 Ca -0.07 -0.36 0.03 0.00 -0.80 0.00 0.00 55.06 53.85 1tsh s HIS 90 Cb 0.10 0.66 0.01 0.00 -1.43 0.00 0.00 32.58 31.92 1tsh s HIS 90 CO 0.85 -0.72 -0.18 0.00 -2.00 0.00 0.00 174.74 172.69 1tsh s ALA 91 N -2.15 1.79 0.07 -1.38 0.00 -0.10 -4.88 121.76 115.12 1tsh s ALA 91 Ca 0.24 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1tsh s ALA 91 Cb -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1tsh s ALA 91 CO 0.03 0.07 -0.15 -1.21 0.00 0.00 0.00 175.76 174.50 1tsh s GLU 92 N 0.72 2.05 -0.17 0.00 8.01 -1.26 0.05 118.70 128.10 1tsh s GLU 92 Ca -0.12 -1.02 -0.00 0.00 0.01 0.00 0.00 54.97 53.84 1tsh s GLU 92 Cb -0.16 -2.22 0.04 0.00 -4.31 0.00 0.00 34.13 27.48 1tsh s GLU 92 CO 0.02 0.52 -0.05 0.08 0.01 0.00 0.00 175.26 175.85 1tsh s VAL 93 N -1.06 1.12 -0.17 2.63 1.01 0.49 -4.97 120.40 119.46 1tsh s VAL 93 Ca 0.17 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1tsh s VAL 93 Cb -0.11 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1tsh s VAL 93 CO 0.09 0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.49 1tsh s VAL 94 N 1.62 3.16 0.17 2.92 1.01 -1.26 -0.55 120.40 127.48 1tsh s VAL 94 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1tsh s VAL 94 Cb -0.16 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1tsh s VAL 94 CO -0.08 0.49 0.33 0.72 0.00 0.00 0.00 175.10 176.56 1tsh s PHE 95 N 0.80 0.34 -0.12 5.22 -0.71 -0.39 -5.00 117.98 118.12 1tsh s PHE 95 Ca -0.04 -0.70 -0.06 0.00 -1.04 0.00 0.00 56.93 55.10 1tsh s PHE 95 Cb -0.15 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1tsh s PHE 95 CO 0.01 -0.76 0.11 0.99 -1.34 0.00 0.00 175.22 174.23 1tsh s THR 96 N -3.96 5.28 -0.21 -4.49 2.01 -1.26 -0.37 115.64 112.64 1tsh s THR 96 Ca 0.17 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 1tsh s THR 96 Cb 0.02 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 1tsh s THR 96 CO 0.00 0.61 -0.01 0.00 -0.69 0.00 0.00 174.62 174.54 1tsh s ALA 97 N -0.97 2.98 0.07 7.40 0.00 0.35 -4.96 121.76 126.61 1tsh s ALA 97 Ca 0.14 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1tsh s ALA 97 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1tsh s ALA 97 CO 0.04 -0.24 -0.24 -0.80 0.00 0.00 0.00 175.76 174.51 1tsh s ASN 98 N 1.16 2.92 0.18 0.00 0.02 -1.26 -2.32 114.94 115.64 1tsh s ASN 98 Ca 0.03 -0.62 -0.06 0.00 -1.02 0.00 0.00 52.86 51.19 1tsh s ASN 98 Cb -0.14 -0.23 0.07 0.00 0.02 0.00 0.00 41.25 40.97 1tsh s ASN 98 CO 0.01 0.19 1.50 0.44 0.02 0.00 0.00 177.10 179.26 1tsh h ASP 99 N 4.53 0.75 -0.96 -1.22 3.32 -1.98 -3.17 116.42 117.70 1tsh h ASP 99 Ca -0.46 -0.37 0.09 0.00 0.02 0.00 0.00 57.03 56.30 1tsh h ASP 99 Cb 1.16 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 1tsh h ASP 99 CO 0.42 1.11 0.62 0.77 -1.72 0.00 0.00 179.24 180.44 1tsh h SER 100 N 0.55 0.93 -4.13 6.45 4.64 -2.04 -3.43 113.55 116.52 1tsh h SER 100 Ca 0.03 0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 60.88 1tsh h SER 100 Cb 1.04 -0.17 0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1tsh h SER 100 CO 0.10 0.56 0.26 -0.83 -0.87 0.00 0.00 176.83 176.05 1tsh s GLY 101 N -3.43 1.64 0.67 -0.77 0.00 -1.20 -4.95 107.32 99.28 1tsh s GLY 101 Ca -0.12 0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.50 1tsh s GLY 101 CO 0.80 0.52 0.42 -1.05 0.00 0.00 0.00 173.10 173.80 1tsh n PRO 102 N -3.84 0.33 -0.11 2.90 -0.02 -1.26 -4.93 135.00 128.06 1tsh n PRO 102 Ca 0.08 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1tsh n PRO 102 Cb 0.54 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1tsh n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tsh h ARG 103 N -0.18 0.75 -6.11 -0.52 -0.00 -1.73 -3.44 114.38 103.14 1tsh h ARG 103 Ca -0.45 -0.37 -0.59 0.00 -0.50 0.00 0.00 59.98 58.07 1tsh h ARG 103 Cb 1.37 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.29 1tsh h ARG 103 CO 0.43 0.99 -0.14 0.50 0.00 0.00 0.00 179.97 181.75 1tsh s ARG 104 N -4.46 4.02 -0.11 0.04 3.00 -0.20 -4.79 118.95 116.45 1tsh s ARG 104 Ca -0.12 0.53 0.01 0.00 -1.00 0.00 0.00 55.73 55.15 1tsh s ARG 104 Cb 0.09 -3.20 0.02 0.00 0.00 0.00 0.00 34.95 31.86 1tsh s ARG 104 CO 0.83 0.66 -0.13 0.71 0.00 0.00 0.00 175.30 177.37 1tsh s TYR 105 N -1.12 1.83 -0.19 5.12 1.51 0.50 -1.88 117.35 123.11 1tsh s TYR 105 Ca 0.27 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1tsh s TYR 105 Cb -0.18 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1tsh s TYR 105 CO 0.16 -0.50 -0.18 0.99 -1.11 0.00 0.00 175.55 174.91 1tsh s THR 106 N 1.21 2.03 -0.28 -0.71 2.01 -0.47 -0.14 115.64 119.29 1tsh s THR 106 Ca -0.03 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 1tsh s THR 106 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1tsh s THR 106 CO -0.04 0.42 0.16 -0.63 -0.69 0.00 0.00 174.62 173.84 1tsh s ILE 107 N 1.27 4.99 -0.02 1.82 -1.09 -0.14 -0.85 121.20 127.18 1tsh s ILE 107 Ca 0.02 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1tsh s ILE 107 Cb -0.14 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1tsh s ILE 107 CO -0.11 0.26 -0.13 0.00 -1.23 0.00 0.00 174.94 173.72 1tsh s ALA 108 N 1.71 2.73 -0.03 9.38 0.00 0.19 -1.32 121.76 134.43 1tsh s ALA 108 Ca 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1tsh s ALA 108 Cb -0.16 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1tsh s ALA 108 CO 0.09 0.57 -0.06 0.00 0.00 0.00 0.00 175.76 176.36 1tsh s ALA 109 N -0.82 0.71 -0.19 0.00 0.00 -0.15 -1.11 121.76 120.19 1tsh s ALA 109 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1tsh s ALA 109 Cb -0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1tsh s ALA 109 CO 0.03 0.06 -0.09 -1.17 0.00 0.00 0.00 175.76 174.58 1tsh s LEU 110 N 0.55 2.70 -0.03 0.00 2.96 0.18 -0.47 118.68 124.57 1tsh s LEU 110 Ca -0.08 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1tsh s LEU 110 Cb -0.11 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1tsh s LEU 110 CO 0.00 0.02 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 1tsh s LEU 111 N 1.23 3.17 0.11 -0.68 1.43 0.68 -1.73 118.68 122.90 1tsh s LEU 111 Ca 0.02 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1tsh s LEU 111 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1tsh s LEU 111 CO -0.04 0.32 -0.00 -0.44 0.23 0.00 0.00 176.35 176.42 1tsh s SER 112 N -1.15 0.71 0.26 2.29 0.01 -0.09 -0.58 113.70 115.15 1tsh s SER 112 Ca 0.15 -1.11 -0.03 0.00 1.31 0.00 0.00 55.95 56.27 1tsh s SER 112 Cb -0.11 0.20 0.42 0.00 0.21 0.00 0.00 66.02 66.73 1tsh s SER 112 CO 0.05 -0.61 1.84 -0.65 0.41 0.00 0.00 173.24 174.28 1tsh h PRO 113 N 2.92 0.93 -0.15 12.44 0.11 -2.00 -3.09 132.00 143.16 1tsh h PRO 113 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tsh h PRO 113 Cb 1.18 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1tsh h PRO 113 CO 0.63 0.62 0.00 0.66 -0.21 0.00 0.00 178.00 179.69 1tsh n TYR 114 N -4.64 0.53 -3.56 0.65 4.02 -1.26 -1.03 117.16 111.88 1tsh n TYR 114 Ca 0.15 -0.92 -0.15 0.00 -0.01 0.00 0.00 57.90 56.96 1tsh n TYR 114 Cb 0.25 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 1tsh n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tsh s SER 115 N -2.32 -0.62 -0.02 7.72 0.15 -1.17 -4.96 113.70 112.48 1tsh s SER 115 Ca 0.37 0.84 -0.12 0.00 0.70 0.00 0.00 55.95 57.74 1tsh s SER 115 Cb 0.31 0.72 0.02 0.00 -1.71 0.00 0.00 66.02 65.36 1tsh s SER 115 CO 0.06 -0.46 0.26 -0.72 1.20 0.00 0.00 173.24 173.58 1tsh s TYR 116 N -0.75 -0.13 0.04 3.44 -0.85 -1.26 -0.91 117.35 116.93 1tsh s TYR 116 Ca -0.06 0.19 0.06 0.00 -0.52 0.00 0.00 57.07 56.74 1tsh s TYR 116 Cb -0.01 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1tsh s TYR 116 CO 0.06 -0.34 -0.17 -1.54 -1.52 0.00 0.00 175.55 172.03 1tsh s SER 117 N -1.23 2.04 0.03 -0.18 1.04 -0.70 -4.98 113.70 109.71 1tsh s SER 117 Ca -0.13 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1tsh s SER 117 Cb -0.06 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1tsh s SER 117 CO 0.03 0.10 -0.08 0.28 0.98 0.00 0.00 173.24 174.55 1tsh s THR 118 N -0.81 0.60 0.05 2.02 -1.32 -1.26 -0.65 115.64 114.27 1tsh s THR 118 Ca 0.04 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1tsh s THR 118 Cb -0.08 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1tsh s THR 118 CO 0.01 -0.16 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.33 1tsh s THR 119 N -0.89 0.34 -0.05 5.08 2.01 -0.27 -4.99 115.64 116.87 1tsh s THR 119 Ca -0.04 -1.41 0.06 0.00 0.31 0.00 0.00 61.69 60.61 1tsh s THR 119 Cb -0.07 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1tsh s THR 119 CO 0.00 -0.70 -0.23 0.00 -0.69 0.00 0.00 174.62 173.01 1tsh s ALA 120 N -2.60 2.26 -0.22 7.40 0.00 -1.26 -0.63 121.76 126.71 1tsh s ALA 120 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1tsh s ALA 120 Cb -0.02 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.43 1tsh s ALA 120 CO -0.04 0.45 -0.12 0.08 0.00 0.00 0.00 175.76 176.13 1tsh s VAL 121 N -0.30 1.86 -0.25 0.00 1.01 -0.03 -4.98 120.40 117.70 1tsh s VAL 121 Ca 0.01 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.71 1tsh s VAL 121 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1tsh s VAL 121 CO 0.02 0.14 0.07 -0.69 0.00 0.00 0.00 175.10 174.64 1tsh s VAL 122 N 1.29 4.23 0.29 2.92 1.01 -1.26 -1.37 120.40 127.50 1tsh s VAL 122 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1tsh s VAL 122 Cb -0.17 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1tsh s VAL 122 CO -0.08 0.32 0.22 0.35 0.00 0.00 0.00 175.10 175.92 1tsh n THR 123 N 4.91 0.00 -0.09 3.92 -2.24 -0.79 -4.86 114.28 115.14 1tsh n THR 123 Ca -0.16 -2.04 -0.15 0.00 -2.27 0.00 0.00 64.05 59.43 1tsh n THR 123 Cb 0.51 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 1tsh n THR 123 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tsh n ASN 124 N -1.86 2.04 -2.52 3.42 4.13 -1.26 -1.03 115.26 118.18 1tsh n ASN 124 Ca 0.05 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1tsh n ASN 124 Cb 0.51 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1tsh n ASN 124 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1tsh n PRO 125 N -3.37 -0.93 0.00 3.52 -0.04 -1.26 -4.81 135.00 128.12 1tsh n PRO 125 Ca -0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1tsh n PRO 125 Cb 0.79 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.25 1tsh n PRO 125 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1tsh n LYS 126 N -1.45 0.00 0.00 0.54 3.00 -1.26 -4.84 118.16 114.15 1tsh n LYS 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1tsh n LYS 126 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 34.51 1tsh n LYS 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55