#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thc h PRO 11 N -0.19 0.00 -2.78 0.00 0.13 -1.87 -3.42 132.00 123.88 1thc h PRO 11 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1thc h PRO 11 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 1thc h PRO 11 CO 0.51 0.00 -0.45 -1.17 -0.23 0.00 0.00 178.00 176.66 1thc s LEU 12 N -5.01 -0.23 0.06 1.56 2.96 -1.25 -0.83 118.68 115.94 1thc s LEU 12 Ca -0.01 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1thc s LEU 12 Cb 0.09 0.94 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 1thc s LEU 12 CO 0.31 -0.22 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.73 1thc s MET 13 N 2.12 0.62 -0.00 1.98 -2.45 -0.35 -4.47 119.30 116.76 1thc s MET 13 Ca -0.03 -0.92 0.08 0.00 -1.25 0.00 0.00 55.69 53.57 1thc s MET 13 Cb -0.11 -0.29 -0.02 0.00 1.25 0.00 0.00 34.83 35.66 1thc s MET 13 CO -0.10 0.04 -0.24 0.08 1.05 0.00 0.00 175.02 175.84 1thc s VAL 14 N -1.99 1.92 -0.17 10.11 1.01 0.82 -2.63 120.40 129.47 1thc s VAL 14 Ca -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1thc s VAL 14 Cb -0.06 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1thc s VAL 14 CO -0.01 0.48 -0.02 -0.75 0.00 0.00 0.00 175.10 174.80 1thc s LYS 15 N -0.72 1.19 -0.12 2.72 2.20 -0.94 -0.98 119.74 123.08 1thc s LYS 15 Ca 0.10 -0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1thc s LYS 15 Cb -0.09 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1thc s LYS 15 CO -0.00 -0.50 -0.12 0.08 -0.36 0.00 0.00 175.35 174.45 1thc s VAL 16 N 1.69 3.15 0.17 4.02 1.01 -0.60 -0.07 120.40 129.77 1thc s VAL 16 Ca -0.00 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1thc s VAL 16 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1thc s VAL 16 CO -0.07 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.64 1thc s LEU 17 N 0.19 2.47 -0.27 3.92 1.43 -0.86 -1.77 118.68 123.78 1thc s LEU 17 Ca -0.07 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.06 1thc s LEU 17 Cb -0.15 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1thc s LEU 17 CO 0.05 -0.12 0.07 -0.62 0.23 0.00 0.00 176.35 175.96 1thc s ASP 18 N -2.83 5.05 0.13 2.29 -1.08 0.54 -1.77 116.67 119.00 1thc s ASP 18 Ca 0.16 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.98 1thc s ASP 18 Cb -0.04 -1.89 0.69 0.00 -1.46 0.00 0.00 42.92 40.23 1thc s ASP 18 CO 0.05 -0.11 1.61 0.00 0.52 0.00 0.00 175.17 177.25 1thc n ALA 19 N 4.89 2.63 -0.03 3.66 0.00 -0.76 -1.37 120.51 129.52 1thc n ALA 19 Ca -0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 1thc n ALA 19 Cb 0.50 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 1thc n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1thc h VAL 20 N 0.00 1.53 0.00 0.00 2.07 -1.94 -3.40 116.25 114.51 1thc h VAL 20 Ca 0.00 -1.64 -0.15 0.00 0.82 0.00 0.00 66.70 65.73 1thc h VAL 20 Cb 0.68 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1thc h VAL 20 CO 0.00 0.43 -2.07 0.54 0.02 0.00 0.00 177.57 176.50 1thc n ARG 21 N -4.70 0.76 -2.50 1.57 1.74 -1.26 -5.07 116.66 107.20 1thc n ARG 21 Ca -0.09 -0.11 -0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1thc n ARG 21 Cb 0.37 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1thc n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1thc n GLY 22 N 1.58 0.96 3.72 -0.13 0.00 -0.47 -5.05 105.19 105.80 1thc n GLY 22 Ca -0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1thc n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1thc s SER 23 N -3.00 -0.23 0.77 1.61 1.04 -1.12 -5.01 113.70 107.76 1thc s SER 23 Ca 0.00 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 1thc s SER 23 Cb -0.00 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1thc s SER 23 CO 0.00 -1.24 1.23 -2.16 0.98 0.00 0.00 173.24 172.05 1thc s PRO 24 N -3.93 1.84 -0.40 4.02 0.04 -1.26 0.20 135.00 135.51 1thc s PRO 24 Ca 0.13 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 1thc s PRO 24 Cb -0.04 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1thc s PRO 24 CO 0.05 -2.08 0.28 0.00 0.04 0.00 0.00 177.00 175.29 1thc s ALA 25 N -1.96 3.43 0.05 8.56 0.00 -0.73 -4.48 121.76 126.63 1thc s ALA 25 Ca 0.76 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 1thc s ALA 25 Cb -0.31 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1thc s ALA 25 CO 0.48 -1.46 0.57 0.42 0.00 0.00 0.00 175.76 175.77 1thc s ILE 26 N 1.64 4.79 -1.40 0.00 1.01 -1.26 -4.27 121.20 121.72 1thc s ILE 26 Ca 0.04 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 1thc s ILE 26 Cb -0.19 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1thc s ILE 26 CO 0.09 0.52 1.10 0.59 0.00 0.00 0.00 174.94 177.24 1thc n ASN 27 N 1.98 -5.40 -4.68 3.58 4.13 0.26 -4.90 115.26 110.21 1thc n ASN 27 Ca -0.10 -0.63 -0.40 0.00 1.68 0.00 0.00 54.58 55.14 1thc n ASN 27 Cb 0.51 -4.68 -0.05 0.00 -1.54 0.00 0.00 39.78 34.02 1thc n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1thc s VAL 28 N -3.33 5.03 0.18 2.41 1.01 -1.26 -4.66 120.40 119.79 1thc s VAL 28 Ca 0.54 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.50 1thc s VAL 28 Cb -0.25 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 1thc s VAL 28 CO 0.76 0.17 1.15 0.00 0.00 0.00 0.00 175.10 177.18 1thc s ALA 29 N 1.46 3.40 -0.01 5.51 0.00 -1.26 -1.46 121.76 129.40 1thc s ALA 29 Ca 0.32 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1thc s ALA 29 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1thc s ALA 29 CO 0.13 -0.30 -0.11 0.08 0.00 0.00 0.00 175.76 175.56 1thc s VAL 30 N -0.13 0.90 -0.09 0.00 1.01 -0.12 0.32 120.40 122.28 1thc s VAL 30 Ca 0.51 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1thc s VAL 30 Cb -0.31 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1thc s VAL 30 CO 0.36 0.26 -0.02 -1.00 0.00 0.00 0.00 175.10 174.70 1thc s HIS 31 N -0.23 0.94 -0.16 5.22 3.76 0.04 -2.16 115.29 122.70 1thc s HIS 31 Ca 0.04 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 1thc s HIS 31 Cb -0.05 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 1thc s HIS 31 CO -0.00 -0.41 0.10 0.08 -0.85 0.00 0.00 174.74 173.66 1thc s VAL 32 N 1.89 5.12 0.31 -0.90 1.01 0.12 -1.24 120.40 126.71 1thc s VAL 32 Ca 0.04 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1thc s VAL 32 Cb -0.13 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1thc s VAL 32 CO -0.06 0.51 0.04 -0.36 0.00 0.00 0.00 175.10 175.23 1thc s PHE 33 N -0.15 1.91 -0.02 5.22 0.40 -0.14 -1.49 117.98 123.72 1thc s PHE 33 Ca 0.09 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1thc s PHE 33 Cb -0.12 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1thc s PHE 33 CO 0.01 0.01 -0.03 0.50 0.70 0.00 0.00 175.22 176.40 1thc s ARG 34 N -3.88 0.43 0.15 0.44 3.52 0.29 -1.54 118.95 118.36 1thc s ARG 34 Ca 0.35 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 1thc s ARG 34 Cb 0.08 -0.47 -0.07 0.00 -1.56 0.00 0.00 34.95 32.93 1thc s ARG 34 CO 0.14 0.01 1.17 0.21 -0.81 0.00 0.00 175.30 176.03 1thc s LYS 35 N 0.34 4.51 0.48 5.12 2.20 -0.12 -0.77 119.74 131.49 1thc s LYS 35 Ca -0.04 1.80 -0.14 0.00 -0.36 0.00 0.00 55.97 57.24 1thc s LYS 35 Cb -0.07 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 1thc s LYS 35 CO -0.00 -0.08 0.91 0.00 -0.36 0.00 0.00 175.35 175.81 1thc s ALA 36 N 0.15 3.17 0.41 3.13 0.00 0.77 -4.83 121.76 124.55 1thc s ALA 36 Ca 0.53 0.03 0.35 0.00 0.00 0.00 0.00 51.96 52.87 1thc s ALA 36 Cb -0.31 -2.96 1.33 0.00 0.00 0.00 0.00 23.12 21.17 1thc s ALA 36 CO 0.34 -0.17 1.26 0.00 0.00 0.00 0.00 175.76 177.19 1thc n ALA 37 N -1.53 1.36 0.29 0.00 0.00 -1.26 0.20 120.51 119.58 1thc n ALA 37 Ca 0.05 0.60 0.19 0.00 0.00 0.00 0.00 53.44 54.28 1thc n ALA 37 Cb 0.54 -0.90 0.85 0.00 0.00 0.00 0.00 19.45 19.94 1thc n ALA 37 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1thc h ASP 38 N 0.00 0.00 0.00 0.00 3.58 -2.01 -3.46 116.42 114.53 1thc h ASP 38 Ca 0.74 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.19 1thc h ASP 38 Cb 2.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.81 1thc h ASP 38 CO -0.16 0.02 0.00 -0.67 -2.88 0.00 0.00 179.24 175.55 1thc n ASP 39 N -3.13 -2.75 -4.57 2.28 2.03 0.54 -5.02 116.55 105.93 1thc n ASP 39 Ca -0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.98 1thc n ASP 39 Cb 0.23 -0.46 -0.11 0.00 -0.72 0.00 0.00 41.12 40.07 1thc n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1thc s THR 40 N -2.00 3.52 -0.41 5.18 -4.23 -1.25 -4.84 115.64 111.61 1thc s THR 40 Ca 0.00 -0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 59.41 1thc s THR 40 Cb 0.00 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1thc s THR 40 CO 0.00 0.39 1.03 0.26 -0.54 0.00 0.00 174.62 175.75 1thc s TRP 41 N -0.98 2.98 -0.26 3.99 0.52 -1.26 0.27 118.94 124.20 1thc s TRP 41 Ca 0.17 0.77 -0.11 0.00 0.02 0.00 0.00 56.10 56.95 1thc s TRP 41 Cb -0.11 -3.97 -0.05 0.00 -1.15 0.00 0.00 33.47 28.19 1thc s TRP 41 CO 0.07 -1.01 0.17 -1.21 0.02 0.00 0.00 176.95 175.00 1thc s GLU 42 N 3.88 4.01 -0.48 4.98 2.02 0.05 -4.90 118.70 128.26 1thc s GLU 42 Ca 0.43 -0.29 -0.34 0.00 0.02 0.00 0.00 54.97 54.78 1thc s GLU 42 Cb -0.10 -3.60 -0.13 0.00 0.10 0.00 0.00 34.13 30.40 1thc s GLU 42 CO 0.24 -0.05 2.30 -2.30 0.02 0.00 0.00 175.26 175.46 1thc n PRO 43 N 4.66 0.81 -0.09 0.39 -0.02 -1.26 -0.55 135.00 138.93 1thc n PRO 43 Ca -0.15 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.31 1thc n PRO 43 Cb 0.52 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 1thc n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1thc n PHE 44 N 10.61 0.39 -3.61 6.00 7.35 -0.55 -4.92 117.46 132.72 1thc n PHE 44 Ca 0.46 0.09 -0.01 0.00 -0.76 0.00 0.00 57.45 57.23 1thc n PHE 44 Cb 0.22 -1.05 -0.01 0.00 0.35 0.00 0.00 39.48 38.99 1thc n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1thc s ALA 45 N -2.52 -2.15 -0.08 3.13 0.00 -0.88 -4.99 121.76 114.26 1thc s ALA 45 Ca -0.32 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 1thc s ALA 45 Cb 0.09 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.45 1thc s ALA 45 CO 0.64 -0.86 0.75 -1.12 0.00 0.00 0.00 175.76 175.17 1thc s SER 46 N -2.64 -0.60 0.34 0.00 0.01 -1.26 0.16 113.70 109.71 1thc s SER 46 Ca 0.12 0.69 -0.18 0.00 1.31 0.00 0.00 55.95 57.89 1thc s SER 46 Cb 0.02 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.84 1thc s SER 46 CO -0.04 -0.53 0.81 -0.83 0.41 0.00 0.00 173.24 173.05 1thc s GLY 47 N -1.09 0.24 0.09 3.44 0.00 -0.92 -4.98 107.32 104.11 1thc s GLY 47 Ca -0.08 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.09 1thc s GLY 47 CO 0.08 0.01 -0.16 0.54 0.00 0.00 0.00 173.10 173.57 1thc s LYS 48 N -2.61 0.95 0.46 2.90 1.02 -1.26 -0.94 119.74 120.25 1thc s LYS 48 Ca 0.15 -1.09 -0.17 0.00 0.02 0.00 0.00 55.97 54.88 1thc s LYS 48 Cb -0.05 -0.99 -0.09 0.00 -0.52 0.00 0.00 37.83 36.19 1thc s LYS 48 CO 0.10 0.21 0.93 0.95 -0.92 0.00 0.00 175.35 176.62 1thc s THR 49 N -1.50 4.52 0.78 2.17 -4.23 -0.53 -4.82 115.64 112.02 1thc s THR 49 Ca 0.03 1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 61.75 1thc s THR 49 Cb -0.09 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1thc s THR 49 CO 0.03 -0.50 1.07 -0.94 -0.54 0.00 0.00 174.62 173.74 1thc s SER 50 N -2.70 4.02 0.55 3.99 1.04 -0.74 0.89 113.70 120.75 1thc s SER 50 Ca 0.59 -0.31 0.28 0.00 0.48 0.00 0.00 55.95 56.99 1thc s SER 50 Cb -0.10 0.04 1.45 0.00 0.10 0.00 0.00 66.02 67.52 1thc s SER 50 CO 0.24 -2.09 1.96 -0.33 0.98 0.00 0.00 173.24 173.99 1thc h GLU 51 N -0.78 0.00 -0.02 4.02 4.39 -1.91 0.30 114.58 120.59 1thc h GLU 51 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1thc h GLU 51 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1thc h GLU 51 CO 0.38 0.00 -0.23 -1.13 -1.16 0.00 0.00 179.01 176.87 1thc n SER 52 N -4.17 1.91 0.00 1.42 3.41 -1.26 -4.82 113.62 110.11 1thc n SER 52 Ca 0.11 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1thc n SER 52 Cb 0.67 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1thc n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thc n GLY 53 N 1.34 0.65 3.90 5.00 0.00 0.11 -4.76 105.19 111.42 1thc n GLY 53 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1thc n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thc s GLU 54 N -0.73 3.22 -0.22 1.61 2.02 -1.26 -1.55 118.70 121.80 1thc s GLU 54 Ca 0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 1thc s GLU 54 Cb 0.00 -2.80 0.10 0.00 0.10 0.00 0.00 34.13 31.53 1thc s GLU 54 CO 0.00 0.47 0.26 -1.17 0.02 0.00 0.00 175.26 174.84 1thc s LEU 55 N -3.49 -0.22 0.42 1.80 2.96 -0.15 -1.80 118.68 118.20 1thc s LEU 55 Ca 0.33 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1thc s LEU 55 Cb -0.10 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 1thc s LEU 55 CO 0.27 -0.33 0.04 -1.00 -1.32 0.00 0.00 176.35 174.02 1thc s HIS 56 N 2.37 2.04 -0.01 5.38 3.76 -1.26 -0.12 115.29 127.45 1thc s HIS 56 Ca 0.08 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1thc s HIS 56 Cb -0.16 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1thc s HIS 56 CO -0.14 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 1thc n GLY 57 N -0.98 0.47 0.52 -2.22 0.00 -1.26 -4.98 105.19 96.73 1thc n GLY 57 Ca -0.09 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1thc n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1thc h LEU 58 N 0.00 -1.12 0.00 0.99 3.38 -1.88 -3.48 115.31 113.19 1thc h LEU 58 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1thc h LEU 58 Cb 0.07 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1thc h LEU 58 CO 0.00 -0.79 0.00 0.41 0.09 0.00 0.00 178.44 178.15 1thc n THR 59 N -5.57 0.00 -4.09 0.22 -1.04 -1.26 -4.82 114.28 97.72 1thc n THR 59 Ca -0.16 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 1thc n THR 59 Cb 0.52 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.92 1thc n THR 59 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1thc s THR 60 N -0.50 0.59 0.57 12.58 -1.32 -1.26 -4.71 115.64 121.59 1thc s THR 60 Ca 0.00 -1.32 0.30 0.00 -1.21 0.00 0.00 61.69 59.47 1thc s THR 60 Cb 0.00 -0.91 0.43 0.00 -1.51 0.00 0.00 72.50 70.51 1thc s THR 60 CO 0.00 -0.52 1.83 -0.08 -2.21 0.00 0.00 174.62 173.65 1thc h GLU 61 N 4.07 0.00 0.13 7.08 4.57 -1.95 -2.03 114.58 126.46 1thc h GLU 61 Ca -0.36 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.48 1thc h GLU 61 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1thc h GLU 61 CO 0.47 0.00 -1.83 0.93 -1.18 0.00 0.00 179.01 177.40 1thc h GLU 62 N 0.00 0.28 0.00 1.92 3.07 -2.02 -3.39 114.58 114.44 1thc h GLU 62 Ca 0.34 -0.48 -0.11 0.00 -0.50 0.00 0.00 59.36 58.61 1thc h GLU 62 Cb 1.60 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 29.67 1thc h GLU 62 CO -0.00 1.23 -0.53 0.37 -1.40 0.00 0.00 179.01 178.67 1thc h GLN 63 N -0.03 0.00 -2.99 2.33 4.15 -1.90 -3.39 115.11 113.28 1thc h GLN 63 Ca -0.39 0.00 -0.72 0.00 0.77 0.00 0.00 58.65 58.31 1thc h GLN 63 Cb 1.97 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.58 1thc h GLN 63 CO 0.09 0.53 2.75 0.34 -1.93 0.00 0.00 178.83 180.61 1thc n PHE 64 N -3.27 2.69 -1.21 3.99 7.35 -0.79 -4.93 117.46 121.29 1thc n PHE 64 Ca 0.02 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.51 1thc n PHE 64 Cb 0.73 -2.07 0.24 0.00 0.35 0.00 0.00 39.48 38.73 1thc n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1thc s VAL 65 N 0.28 1.60 0.86 -2.13 -7.23 -1.26 -4.84 120.40 107.68 1thc s VAL 65 Ca 0.55 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 1thc s VAL 65 Cb 0.16 -2.57 0.11 0.00 0.56 0.00 0.00 36.38 34.64 1thc s VAL 65 CO -0.07 0.00 1.11 -1.61 -0.31 0.00 0.00 175.10 174.22 1thc s GLU 66 N -5.57 1.52 0.00 4.82 2.02 -1.26 -4.59 118.70 115.63 1thc s GLU 66 Ca 0.73 1.28 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1thc s GLU 66 Cb -0.07 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1thc s GLU 66 CO 0.55 -2.20 0.00 0.41 0.02 0.00 0.00 175.26 174.05 1thc n GLY 67 N -0.54 -1.20 3.53 -1.39 0.00 -0.98 -4.97 105.19 99.64 1thc n GLY 67 Ca 0.10 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1thc n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thc s ILE 68 N -1.88 4.62 0.11 -0.61 1.01 -1.26 -0.42 121.20 122.76 1thc s ILE 68 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.68 1thc s ILE 68 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1thc s ILE 68 CO 0.00 0.36 -0.25 -0.31 0.00 0.00 0.00 174.94 174.74 1thc s TYR 69 N 1.25 2.35 -0.14 3.97 1.51 0.63 -0.94 117.35 125.98 1thc s TYR 69 Ca 0.05 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1thc s TYR 69 Cb -0.14 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1thc s TYR 69 CO 0.04 0.30 -0.07 0.21 -1.11 0.00 0.00 175.55 174.93 1thc s LYS 70 N -1.89 1.52 -0.20 -0.62 2.20 -0.59 -0.72 119.74 119.44 1thc s LYS 70 Ca 0.14 -0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.22 1thc s LYS 70 Cb -0.10 -1.85 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 1thc s LYS 70 CO 0.06 -0.36 0.20 0.08 -0.36 0.00 0.00 175.35 174.97 1thc s VAL 71 N 1.65 5.35 -0.14 4.02 1.01 0.85 -0.96 120.40 132.19 1thc s VAL 71 Ca 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1thc s VAL 71 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1thc s VAL 71 CO -0.08 0.39 -0.11 -0.70 0.00 0.00 0.00 175.10 174.59 1thc s GLU 72 N 0.63 3.41 -0.12 2.72 2.12 -0.37 0.11 118.70 127.19 1thc s GLU 72 Ca 0.11 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1thc s GLU 72 Cb -0.12 -2.69 -0.00 0.00 0.26 0.00 0.00 34.13 31.57 1thc s GLU 72 CO 0.02 0.17 -0.19 0.42 -0.54 0.00 0.00 175.26 175.14 1thc s ILE 73 N 0.47 2.44 -1.32 -3.70 1.01 0.23 -0.78 121.20 119.55 1thc s ILE 73 Ca -0.08 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1thc s ILE 73 Cb -0.16 -1.98 0.13 0.00 0.01 0.00 0.00 42.46 40.47 1thc s ILE 73 CO 0.04 0.54 1.89 -0.67 0.00 0.00 0.00 174.94 176.74 1thc n ASP 74 N 3.61 4.79 0.20 3.58 2.03 0.15 -2.81 116.55 128.11 1thc n ASP 74 Ca -0.19 -3.01 -0.15 0.00 0.52 0.00 0.00 54.79 51.97 1thc n ASP 74 Cb 0.53 -1.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.30 1thc n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1thc h THR 75 N 4.09 0.44 0.00 5.18 1.35 -1.85 -3.24 112.91 118.88 1thc h THR 75 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1thc h THR 75 Cb 0.69 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1thc h THR 75 CO 1.62 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 178.06 1thc n LYS 76 N -5.39 0.00 -0.33 4.72 4.81 -1.18 -1.74 118.16 119.05 1thc n LYS 76 Ca -0.09 0.84 0.24 0.00 -0.87 0.00 0.00 58.31 58.43 1thc n LYS 76 Cb 0.30 -1.32 0.45 0.00 0.02 0.00 0.00 35.03 34.48 1thc n LYS 76 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1thc n SER 77 N -2.50 0.14 -0.32 3.14 7.64 -1.23 -2.18 113.62 118.30 1thc n SER 77 Ca 0.00 1.65 -0.04 0.00 1.01 0.00 0.00 58.87 61.49 1thc n SER 77 Cb 0.00 -0.71 0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1thc n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1thc h TYR 78 N 0.00 1.20 0.15 1.43 3.20 -1.37 -0.59 116.97 121.00 1thc h TYR 78 Ca 0.73 -0.03 -0.29 0.00 3.14 0.00 0.00 58.73 62.28 1thc h TYR 78 Cb 1.77 -0.38 0.02 0.00 1.54 0.00 0.00 36.73 39.67 1thc h TYR 78 CO -0.23 0.83 -1.28 -1.49 -1.64 0.00 0.00 178.16 174.35 1thc h TRP 79 N 1.22 0.69 -0.12 -3.82 4.06 -1.34 -2.86 115.95 113.78 1thc h TRP 79 Ca 0.31 -0.48 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 1thc h TRP 79 Cb 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1thc h TRP 79 CO 0.01 1.36 -0.27 0.87 -3.56 0.00 0.00 178.44 176.85 1thc h LYS 80 N 0.13 0.39 -0.78 0.49 1.57 -1.14 0.30 116.57 117.52 1thc h LYS 80 Ca -0.17 -0.26 0.22 0.00 -1.87 0.00 0.00 60.65 58.57 1thc h LYS 80 Cb 1.98 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 1thc h LYS 80 CO 0.22 0.87 0.55 0.00 -0.57 0.00 0.00 179.45 180.53 1thc h ALA 81 N 0.52 2.63 -0.34 3.86 0.00 -1.14 0.13 119.26 124.92 1thc h ALA 81 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1thc h ALA 81 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1thc h ALA 81 CO 0.06 -0.86 0.00 1.47 0.00 0.00 0.00 179.25 179.92 1thc n LEU 82 N -4.34 3.70 0.00 0.00 -0.00 -0.95 -4.99 117.00 110.41 1thc n LEU 82 Ca 0.16 -2.61 0.00 0.00 -0.00 0.00 0.00 56.01 53.56 1thc n LEU 82 Cb 0.81 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1thc n LEU 82 CO 0.37 0.71 0.00 0.61 -0.00 0.00 0.00 177.39 179.08 1thc n GLY 83 N 0.04 0.76 3.31 1.47 0.00 0.45 -5.05 105.19 106.17 1thc n GLY 83 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1thc n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thc s ILE 84 N -2.25 2.24 -0.58 -0.61 1.09 0.04 -4.98 121.20 116.15 1thc s ILE 84 Ca 0.00 -1.01 -0.19 0.00 -1.10 0.00 0.00 60.65 58.34 1thc s ILE 84 Cb 0.00 -1.82 0.09 0.00 -1.06 0.00 0.00 42.46 39.67 1thc s ILE 84 CO 0.00 0.57 0.70 -0.55 -0.10 0.00 0.00 174.94 175.57 1thc s SER 85 N -0.35 6.19 0.64 3.58 0.15 -1.26 -1.86 113.70 120.79 1thc s SER 85 Ca 0.02 -1.27 -0.11 0.00 0.70 0.00 0.00 55.95 55.28 1thc s SER 85 Cb -0.12 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1thc s SER 85 CO 0.02 -1.08 1.04 -2.84 1.20 0.00 0.00 173.24 171.57 1thc s PRO 86 N 2.77 3.38 0.06 5.44 0.02 -1.26 -4.99 135.00 140.42 1thc s PRO 86 Ca 0.13 0.85 -0.23 0.00 0.02 0.00 0.00 61.00 61.77 1thc s PRO 86 Cb -0.22 -2.05 -0.15 0.00 0.02 0.00 0.00 34.50 32.10 1thc s PRO 86 CO 0.08 -0.75 1.59 0.35 -0.33 0.00 0.00 177.00 177.94 1thc h PHE 87 N -0.35 0.07 -3.55 6.54 3.57 -1.62 -3.47 116.94 118.13 1thc h PHE 87 Ca -0.44 -0.01 -0.52 0.00 3.53 0.00 0.00 57.97 60.53 1thc h PHE 87 Cb 1.20 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1thc h PHE 87 CO 0.64 0.21 0.01 -1.01 -2.23 0.00 0.00 178.31 175.93 1thc s HIS 88 N -5.54 3.47 -0.07 0.41 3.76 -1.26 -5.03 115.29 111.03 1thc s HIS 88 Ca -0.14 1.13 -0.24 0.00 -0.15 0.00 0.00 55.06 55.66 1thc s HIS 88 Cb 0.05 -2.45 -0.20 0.00 1.11 0.00 0.00 32.58 31.10 1thc s HIS 88 CO 0.67 0.24 0.91 0.93 -0.85 0.00 0.00 174.74 176.65 1thc h GLU 89 N 2.76 -0.07 0.00 1.40 4.39 -1.98 -3.35 114.58 117.73 1thc h GLU 89 Ca -0.48 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1thc h GLU 89 Cb 1.18 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1thc h GLU 89 CO 0.66 0.54 -0.02 -2.39 -1.16 0.00 0.00 179.01 176.64 1thc n HIS 90 N -4.79 -0.33 -3.83 4.33 1.44 -1.26 -3.13 115.22 107.64 1thc n HIS 90 Ca -0.08 -0.20 -0.26 0.00 -2.01 0.00 0.00 57.72 55.17 1thc n HIS 90 Cb 0.32 0.04 -0.17 0.00 0.12 0.00 0.00 29.99 30.29 1thc n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1thc s ALA 91 N -1.84 1.11 -0.09 1.59 0.00 -1.12 -4.87 121.76 116.54 1thc s ALA 91 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1thc s ALA 91 Cb 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1thc s ALA 91 CO 0.02 -0.63 -0.11 -2.00 0.00 0.00 0.00 175.76 173.04 1thc s GLU 92 N 1.80 2.91 -0.17 0.00 2.12 -1.25 0.74 118.70 124.85 1thc s GLU 92 Ca 0.03 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1thc s GLU 92 Cb -0.14 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1thc s GLU 92 CO -0.07 0.49 -0.20 0.08 -0.54 0.00 0.00 175.26 175.02 1thc s VAL 93 N -0.37 2.09 -0.20 3.70 1.01 0.31 -4.91 120.40 122.02 1thc s VAL 93 Ca 0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1thc s VAL 93 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1thc s VAL 93 CO 0.02 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 1thc s VAL 94 N 1.14 3.04 0.18 2.92 1.01 -1.26 -0.10 120.40 127.33 1thc s VAL 94 Ca 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1thc s VAL 94 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1thc s VAL 94 CO -0.09 0.46 0.31 0.72 0.00 0.00 0.00 175.10 176.50 1thc s PHE 95 N 1.34 0.44 -0.26 5.22 -0.71 0.10 -5.00 117.98 119.11 1thc s PHE 95 Ca 0.04 -0.79 -0.16 0.00 -1.04 0.00 0.00 56.93 54.98 1thc s PHE 95 Cb -0.14 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1thc s PHE 95 CO -0.05 -0.77 0.43 0.99 -1.34 0.00 0.00 175.22 174.49 1thc s THR 96 N -3.99 5.14 0.20 -4.49 2.01 -1.26 -0.27 115.64 112.98 1thc s THR 96 Ca 0.20 0.70 0.08 0.00 0.31 0.00 0.00 61.69 62.99 1thc s THR 96 Cb 0.03 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1thc s THR 96 CO 0.03 0.14 -0.02 0.00 -0.69 0.00 0.00 174.62 174.07 1thc s ALA 97 N 2.10 3.12 -0.67 7.40 0.00 0.44 -4.78 121.76 129.37 1thc s ALA 97 Ca 0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 1thc s ALA 97 Cb -0.16 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.15 1thc s ALA 97 CO 0.09 0.41 0.17 0.09 0.00 0.00 0.00 175.76 176.53 1thc n ASN 98 N -0.31 -2.02 0.19 0.00 3.02 -1.26 -2.31 115.26 112.56 1thc n ASN 98 Ca -0.09 0.04 0.04 0.00 -0.03 0.00 0.00 54.58 54.54 1thc n ASN 98 Cb 0.56 -1.79 0.37 0.00 -0.61 0.00 0.00 39.78 38.31 1thc n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1thc h ASP 99 N -0.29 0.00 -0.45 6.41 2.03 -1.92 -2.81 116.42 119.39 1thc h ASP 99 Ca -0.21 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 55.84 1thc h ASP 99 Cb 1.14 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.49 1thc h ASP 99 CO 0.28 0.38 -0.04 -1.20 -1.03 0.00 0.00 179.24 177.63 1thc n SER 100 N -3.86 2.88 0.00 4.15 7.64 -1.26 -5.02 113.62 118.14 1thc n SER 100 Ca -0.01 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1thc n SER 100 Cb 0.44 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1thc n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1thc n GLY 101 N -1.10 0.92 3.52 0.23 0.00 -1.06 -5.01 105.19 102.68 1thc n GLY 101 Ca 0.37 -1.84 -0.62 0.00 0.00 0.00 0.00 46.02 43.93 1thc n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1thc n PRO 102 N 1.06 0.00 -4.50 1.61 -0.04 -1.26 -4.45 135.00 127.42 1thc n PRO 102 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1thc n PRO 102 Cb 0.00 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 1thc n PRO 102 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1thc n ARG 103 N 2.92 0.65 -4.07 0.54 5.12 -1.26 -4.38 116.66 116.18 1thc n ARG 103 Ca 0.26 -3.55 -0.34 0.00 -1.93 0.00 0.00 57.85 52.29 1thc n ARG 103 Cb -0.01 1.58 -0.15 0.00 -1.16 0.00 0.00 32.46 32.72 1thc n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1thc s ARG 104 N -3.65 3.19 -0.13 5.56 1.81 0.46 -4.79 118.95 121.39 1thc s ARG 104 Ca 0.14 -0.73 -0.03 0.00 -1.72 0.00 0.00 55.73 53.39 1thc s ARG 104 Cb 0.01 -2.78 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 1thc s ARG 104 CO 0.10 -0.18 -0.04 0.71 -0.68 0.00 0.00 175.30 175.21 1thc s TYR 105 N 1.32 3.02 -0.31 -0.53 1.51 -0.01 -1.03 117.35 121.33 1thc s TYR 105 Ca 0.04 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1thc s TYR 105 Cb -0.14 -1.90 0.09 0.00 -0.11 0.00 0.00 41.96 39.90 1thc s TYR 105 CO -0.07 0.07 0.07 0.99 -1.11 0.00 0.00 175.55 175.49 1thc s THR 106 N 0.06 1.36 -0.33 -0.71 2.01 -0.91 -1.20 115.64 115.92 1thc s THR 106 Ca -0.00 -1.65 -0.17 0.00 0.31 0.00 0.00 61.69 60.18 1thc s THR 106 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1thc s THR 106 CO 0.03 -0.58 0.45 -0.63 -0.69 0.00 0.00 174.62 173.19 1thc s ILE 107 N 1.38 5.09 0.08 1.82 1.01 -1.08 -0.15 121.20 129.36 1thc s ILE 107 Ca 0.08 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1thc s ILE 107 Cb -0.18 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1thc s ILE 107 CO -0.18 -0.10 -0.16 0.00 0.00 0.00 0.00 174.94 174.50 1thc s ALA 108 N 2.22 2.71 -0.07 9.38 0.00 -0.55 -2.22 121.76 133.23 1thc s ALA 108 Ca 0.16 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1thc s ALA 108 Cb -0.16 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1thc s ALA 108 CO 0.12 0.59 -0.10 0.00 0.00 0.00 0.00 175.76 176.37 1thc s ALA 109 N -1.07 1.16 -0.36 0.00 0.00 0.90 -2.40 121.76 119.99 1thc s ALA 109 Ca 0.17 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 1thc s ALA 109 Cb -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1thc s ALA 109 CO 0.09 0.04 0.21 -1.17 0.00 0.00 0.00 175.76 174.93 1thc s LEU 110 N 0.81 4.58 -0.02 0.00 2.96 0.10 -2.04 118.68 125.08 1thc s LEU 110 Ca -0.12 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 1thc s LEU 110 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1thc s LEU 110 CO 0.02 -0.32 0.04 -0.76 -1.32 0.00 0.00 176.35 174.01 1thc s LEU 111 N 1.61 3.71 0.11 -0.68 1.43 -0.73 -0.95 118.68 123.19 1thc s LEU 111 Ca 0.04 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1thc s LEU 111 Cb -0.18 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1thc s LEU 111 CO 0.08 0.29 -0.10 -0.44 0.23 0.00 0.00 176.35 176.41 1thc s SER 112 N -1.54 1.52 0.35 2.29 0.01 0.19 -1.83 113.70 114.68 1thc s SER 112 Ca 0.20 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.66 1thc s SER 112 Cb -0.12 0.01 0.71 0.00 0.21 0.00 0.00 66.02 66.83 1thc s SER 112 CO 0.11 -0.28 1.93 1.55 0.41 0.00 0.00 173.24 176.96 1thc h PRO 113 N 3.41 0.78 -0.28 12.44 0.13 -1.99 -2.37 132.00 144.12 1thc h PRO 113 Ca -0.37 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1thc h PRO 113 Cb 1.19 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1thc h PRO 113 CO 0.55 0.52 0.00 0.66 -0.23 0.00 0.00 178.00 179.50 1thc n TYR 114 N -4.50 0.68 -3.60 1.56 4.02 -1.26 -1.43 117.16 112.63 1thc n TYR 114 Ca 0.13 -0.71 -0.14 0.00 -0.01 0.00 0.00 57.90 57.16 1thc n TYR 114 Cb 0.27 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 1thc n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1thc s SER 115 N -1.55 -0.65 -0.01 7.72 0.15 -0.89 -4.99 113.70 113.48 1thc s SER 115 Ca 0.32 1.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.93 1thc s SER 115 Cb 0.24 1.02 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1thc s SER 115 CO 0.11 -0.34 0.23 -0.72 1.20 0.00 0.00 173.24 173.72 1thc s TYR 116 N -0.20 -0.08 0.09 3.44 -0.85 -1.26 0.55 117.35 119.04 1thc s TYR 116 Ca -0.03 0.08 0.05 0.00 -0.52 0.00 0.00 57.07 56.66 1thc s TYR 116 Cb -0.03 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 1thc s TYR 116 CO 0.02 -0.34 -0.14 -1.54 -1.52 0.00 0.00 175.55 172.03 1thc s SER 117 N -1.34 1.79 -0.00 -0.18 1.04 -0.12 -4.98 113.70 109.91 1thc s SER 117 Ca -0.14 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.63 1thc s SER 117 Cb -0.06 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 1thc s SER 117 CO 0.03 -0.09 -0.03 0.28 0.98 0.00 0.00 173.24 174.40 1thc s THR 118 N -1.52 0.25 0.14 2.02 -1.32 -1.26 0.02 115.64 113.97 1thc s THR 118 Ca 0.01 -0.16 0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1thc s THR 118 Cb -0.08 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 1thc s THR 118 CO 0.02 0.05 -0.11 0.42 -2.21 0.00 0.00 174.62 172.80 1thc s THR 119 N -0.11 1.23 -0.02 5.08 -4.23 -1.01 -5.01 115.64 111.58 1thc s THR 119 Ca 0.01 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 1thc s THR 119 Cb -0.01 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1thc s THR 119 CO -0.00 -0.66 -0.20 0.00 -0.54 0.00 0.00 174.62 173.21 1thc s ALA 120 N -3.02 1.71 -0.21 3.99 0.00 -1.26 -1.49 121.76 121.49 1thc s ALA 120 Ca 0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1thc s ALA 120 Cb 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1thc s ALA 120 CO 0.02 0.41 -0.04 0.08 0.00 0.00 0.00 175.76 176.23 1thc s VAL 121 N -0.45 1.22 0.03 0.00 1.01 0.79 -4.98 120.40 118.03 1thc s VAL 121 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1thc s VAL 121 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1thc s VAL 121 CO -0.01 -0.05 -0.02 -0.69 0.00 0.00 0.00 175.10 174.34 1thc s VAL 122 N 1.55 3.98 0.09 2.92 1.01 -1.26 -2.13 120.40 126.56 1thc s VAL 122 Ca -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1thc s VAL 122 Cb -0.17 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1thc s VAL 122 CO -0.07 0.30 0.25 -0.89 0.00 0.00 0.00 175.10 174.69 1thc s THR 123 N -1.13 0.12 -0.05 3.92 2.01 -0.20 -4.95 115.64 115.37 1thc s THR 123 Ca 0.21 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 1thc s THR 123 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1thc s THR 123 CO 0.12 -0.55 0.65 0.20 -0.69 0.00 0.00 174.62 174.35 1thc s ASN 124 N -2.78 6.96 0.36 3.53 0.01 -1.26 0.17 114.94 121.94 1thc s ASN 124 Ca 0.04 1.15 0.09 0.00 -0.71 0.00 0.00 52.86 53.43 1thc s ASN 124 Cb 0.04 -2.39 0.82 0.00 0.41 0.00 0.00 41.25 40.13 1thc s ASN 124 CO -0.11 -0.03 1.89 -0.65 -1.51 0.00 0.00 177.10 176.70 1thc h PRO 125 N 6.35 0.67 0.00 -0.60 0.11 -1.89 -3.46 132.00 133.18 1thc h PRO 125 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1thc h PRO 125 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1thc h PRO 125 CO 0.73 0.44 0.00 0.36 -0.21 0.00 0.00 178.00 179.33