#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtc n ASP 2 N 0.00 2.98 -4.76 0.53 5.75 -1.26 -4.35 116.55 115.43 1xtc n ASP 2 Ca 0.00 -2.45 -0.39 0.00 -0.01 0.00 0.00 54.79 51.94 1xtc n ASP 2 Cb 0.00 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 1xtc n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1xtc s ASP 3 N -0.06 5.87 0.10 -1.12 1.11 -1.26 -4.94 116.67 116.37 1xtc s ASP 3 Ca 0.20 2.72 0.09 0.00 0.18 0.00 0.00 52.55 55.74 1xtc s ASP 3 Cb 0.16 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 1xtc s ASP 3 CO 0.05 -1.16 -0.22 -0.54 1.18 0.00 0.00 175.17 174.48 1xtc s LYS 4 N -2.55 1.25 0.41 8.23 3.01 -1.26 -1.86 119.74 126.98 1xtc s LYS 4 Ca 0.63 -1.17 0.05 0.00 -1.01 0.00 0.00 55.97 54.47 1xtc s LYS 4 Cb -0.39 -1.54 -0.06 0.00 -1.01 0.00 0.00 37.83 34.83 1xtc s LYS 4 CO 0.49 0.37 0.02 -0.51 0.51 0.00 0.00 175.35 176.23 1xtc s LEU 5 N -1.80 2.58 0.06 3.17 1.02 -0.84 -4.76 118.68 118.11 1xtc s LEU 5 Ca 0.08 -1.44 0.04 0.00 0.02 0.00 0.00 54.13 52.83 1xtc s LEU 5 Cb -0.10 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.36 1xtc s LEU 5 CO 0.04 -0.58 -0.12 -0.31 0.02 0.00 0.00 176.35 175.40 1xtc s TYR 6 N -2.88 1.03 -0.27 0.29 2.02 0.39 0.35 117.35 118.27 1xtc s TYR 6 Ca 0.29 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1xtc s TYR 6 Cb 0.08 -0.59 0.15 0.00 -0.40 0.00 0.00 41.96 41.20 1xtc s TYR 6 CO 0.14 0.01 0.52 0.50 -1.57 0.00 0.00 175.55 175.16 1xtc s ARG 7 N -1.74 0.48 -0.65 -0.62 3.52 -1.09 -0.04 118.95 118.82 1xtc s ARG 7 Ca -0.04 0.96 -0.26 0.00 -0.13 0.00 0.00 55.73 56.25 1xtc s ARG 7 Cb -0.10 0.30 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1xtc s ARG 7 CO 0.02 -0.51 1.16 0.00 -0.81 0.00 0.00 175.30 175.16 1xtc s ALA 8 N 2.75 2.94 0.14 6.12 0.00 -1.26 -2.53 121.76 129.91 1xtc s ALA 8 Ca 0.11 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.94 1xtc s ALA 8 Cb -0.14 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1xtc s ALA 8 CO -0.18 -2.88 -0.17 0.34 0.00 0.00 0.00 175.76 172.86 1xtc s ASP 9 N 3.34 3.88 -0.22 0.00 -1.08 -0.64 -4.62 116.67 117.33 1xtc s ASP 9 Ca 0.35 -0.61 -0.16 0.00 -0.52 0.00 0.00 52.55 51.62 1xtc s ASP 9 Cb -0.10 -0.53 -0.11 0.00 -1.46 0.00 0.00 42.92 40.72 1xtc s ASP 9 CO 0.19 0.16 -0.15 -1.54 0.52 0.00 0.00 175.17 174.34 1xtc n SER 10 N 0.59 1.90 -2.60 -0.34 3.41 -1.26 -0.84 113.62 114.48 1xtc n SER 10 Ca -0.14 0.42 -0.32 0.00 -0.26 0.00 0.00 58.87 58.56 1xtc n SER 10 Cb 0.54 -0.86 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 1xtc n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xtc n ARG 11 N -4.41 0.00 -2.02 4.33 1.74 -1.26 -4.50 116.66 110.54 1xtc n ARG 11 Ca -0.32 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.41 1xtc n ARG 11 Cb 0.65 -0.79 0.03 0.00 -1.02 0.00 0.00 32.46 31.33 1xtc n ARG 11 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1xtc s PRO 12 N -0.17 3.02 0.15 5.56 0.02 -1.26 -4.83 135.00 137.49 1xtc s PRO 12 Ca 0.48 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 63.02 1xtc s PRO 12 Cb -0.68 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 31.93 1xtc s PRO 12 CO 0.33 -1.13 1.78 -1.35 -0.33 0.00 0.00 177.00 176.30 1xtc h PRO 13 N 0.78 0.36 -0.14 5.54 0.11 -1.99 -1.17 132.00 135.49 1xtc h PRO 13 Ca -0.50 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1xtc h PRO 13 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xtc h PRO 13 CO 0.55 0.24 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.13 1xtc n ASP 14 N -4.94 -0.09 0.05 -2.05 5.75 -1.26 -1.43 116.55 112.59 1xtc n ASP 14 Ca 0.01 0.25 -0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1xtc n ASP 14 Cb 0.09 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 1xtc n ASP 14 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xtc h GLU 15 N 0.00 0.43 -0.10 0.11 4.81 -1.89 -2.65 114.58 115.30 1xtc h GLU 15 Ca 0.05 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1xtc h GLU 15 Cb 0.09 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1xtc h GLU 15 CO -0.14 1.06 -0.46 0.82 -0.73 0.00 0.00 179.01 179.56 1xtc h ILE 16 N 0.27 0.09 -0.69 2.32 2.04 -0.15 0.13 117.51 121.52 1xtc h ILE 16 Ca -0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1xtc h ILE 16 Cb 1.46 0.09 -0.12 0.00 -0.74 0.00 0.00 36.82 37.51 1xtc h ILE 16 CO 0.15 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.79 1xtc h LYS 17 N -0.55 0.10 -0.67 2.37 3.64 -1.13 0.26 116.57 120.59 1xtc h LYS 17 Ca 0.06 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1xtc h LYS 17 Cb 0.66 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1xtc h LYS 17 CO -0.39 0.07 0.14 -0.56 -2.27 0.00 0.00 179.45 176.44 1xtc h GLN 18 N 0.10 1.07 0.00 1.90 3.07 -1.10 0.24 115.11 120.40 1xtc h GLN 18 Ca 0.37 -0.26 -0.18 0.00 0.09 0.00 0.00 58.65 58.67 1xtc h GLN 18 Cb 0.62 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1xtc h GLN 18 CO -0.61 0.96 -0.84 0.77 0.09 0.00 0.00 178.83 179.20 1xtc h SER 19 N 1.01 0.14 0.00 0.06 0.02 -0.01 -3.47 113.55 111.30 1xtc h SER 19 Ca 0.21 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1xtc h SER 19 Cb 0.38 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xtc h SER 19 CO 0.01 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1xtc n GLY 20 N 0.82 0.64 0.00 -3.77 0.00 0.85 -1.82 105.19 101.91 1xtc n GLY 20 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xtc n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtc n GLY 21 N -2.00 0.90 3.60 -0.02 0.00 -0.05 0.13 105.19 107.74 1xtc n GLY 21 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1xtc n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtc s LEU 22 N 0.00 4.15 0.10 0.99 1.43 -0.52 -4.63 118.68 120.19 1xtc s LEU 22 Ca 0.00 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1xtc s LEU 22 Cb 0.00 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1xtc s LEU 22 CO 0.00 -0.45 0.08 -0.04 0.23 0.00 0.00 176.35 176.17 1xtc s MET 23 N 2.53 2.83 1.35 1.70 -1.94 -1.26 -0.18 119.30 124.32 1xtc s MET 23 Ca 0.24 -0.75 -0.20 0.00 -1.71 0.00 0.00 55.69 53.27 1xtc s MET 23 Cb -0.15 -2.68 0.34 0.00 2.01 0.00 0.00 34.83 34.35 1xtc s MET 23 CO 0.11 0.55 0.97 -1.25 -0.01 0.00 0.00 175.02 175.39 1xtc s PRO 24 N -2.50 -2.35 -0.22 2.03 0.04 -1.26 -4.90 135.00 125.83 1xtc s PRO 24 Ca 0.29 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 1xtc s PRO 24 Cb -0.12 -1.43 0.01 0.00 0.04 0.00 0.00 34.50 33.00 1xtc s PRO 24 CO 0.22 -4.53 1.08 0.50 0.04 0.00 0.00 177.00 174.30 1xtc s ARG 25 N -4.96 4.26 0.00 4.56 3.52 0.15 -3.23 118.95 123.25 1xtc s ARG 25 Ca 0.69 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 1xtc s ARG 25 Cb -0.16 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1xtc s ARG 25 CO 0.59 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1xtc n GLY 26 N 3.37 0.93 3.29 8.12 0.00 -1.26 -4.87 105.19 114.77 1xtc n GLY 26 Ca 0.12 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1xtc n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xtc s GLN 27 N -0.43 1.80 0.00 1.61 2.00 -1.20 -4.91 119.66 118.53 1xtc s GLN 27 Ca 0.00 -0.94 0.00 0.00 -2.00 0.00 0.00 55.36 52.42 1xtc s GLN 27 Cb 0.00 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.97 1xtc s GLN 27 CO 0.00 0.49 0.00 0.43 -0.50 0.00 0.00 175.29 175.71 1xtc n SER 28 N 2.17 2.97 -4.30 6.67 7.64 -1.26 -4.85 113.62 122.67 1xtc n SER 28 Ca -0.16 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.40 1xtc n SER 28 Cb 0.52 0.11 -0.16 0.00 -1.01 0.00 0.00 64.21 63.67 1xtc n SER 28 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xtc s GLU 29 N -1.69 2.97 0.63 1.43 0.41 -1.25 -4.40 118.70 116.80 1xtc s GLU 29 Ca 0.00 -0.81 0.39 0.00 -0.41 0.00 0.00 54.97 54.14 1xtc s GLU 29 Cb 0.00 -2.37 2.14 0.00 -1.78 0.00 0.00 34.13 32.12 1xtc s GLU 29 CO 0.00 0.28 2.20 -0.92 -0.49 0.00 0.00 175.26 176.33 1xtc h TYR 30 N 6.42 0.00 -0.51 1.61 3.20 -1.69 -3.25 116.97 122.74 1xtc h TYR 30 Ca -0.27 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.40 1xtc h TYR 30 Cb 1.21 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.36 1xtc h TYR 30 CO 0.47 0.00 0.13 1.19 -1.64 0.00 0.00 178.16 178.31 1xtc n PHE 31 N -2.95 1.64 -2.84 -3.82 3.72 -1.26 -4.95 117.46 107.01 1xtc n PHE 31 Ca -0.03 -1.40 -0.43 0.00 -0.05 0.00 0.00 57.45 55.55 1xtc n PHE 31 Cb 0.13 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.07 1xtc n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xtc s ASP 32 N -1.91 6.50 0.29 4.37 1.01 -1.23 -4.83 116.67 120.88 1xtc s ASP 32 Ca 0.48 0.14 0.22 0.00 0.71 0.00 0.00 52.55 54.09 1xtc s ASP 32 Cb 0.41 -2.44 0.13 0.00 1.01 0.00 0.00 42.92 42.03 1xtc s ASP 32 CO 0.06 -1.01 1.28 0.03 0.21 0.00 0.00 175.17 175.74 1xtc h ARG 33 N 9.00 0.00 -2.68 8.23 3.08 -1.95 -3.31 114.38 126.75 1xtc h ARG 33 Ca -0.24 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.20 1xtc h ARG 33 Cb 1.08 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.71 1xtc h ARG 33 CO 1.01 0.05 -0.61 0.41 -1.07 0.00 0.00 179.97 179.77 1xtc n GLY 34 N 1.17 4.25 0.00 0.04 0.00 -1.26 -4.63 105.19 104.76 1xtc n GLY 34 Ca 0.01 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.43 1xtc n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xtc n THR 35 N 1.53 0.00 -3.94 2.61 -1.04 -1.25 -5.16 114.28 107.03 1xtc n THR 35 Ca 0.24 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.90 1xtc n THR 35 Cb 0.38 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.81 1xtc n THR 35 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1xtc s GLN 36 N 0.00 3.71 0.49 -2.82 2.00 -1.26 -4.83 119.66 116.94 1xtc s GLN 36 Ca 0.00 -0.24 0.08 0.00 -2.00 0.00 0.00 55.36 53.19 1xtc s GLN 36 Cb 0.00 -3.20 0.02 0.00 0.80 0.00 0.00 33.01 30.63 1xtc s GLN 36 CO 0.00 0.52 0.49 -1.64 -0.50 0.00 0.00 175.29 174.16 1xtc s MET 37 N -0.30 2.44 0.04 1.67 -1.94 -1.26 -5.09 119.30 114.86 1xtc s MET 37 Ca 0.10 -1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 52.11 1xtc s MET 37 Cb -0.12 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1xtc s MET 37 CO 0.01 -0.46 1.21 1.21 -0.01 0.00 0.00 175.02 176.98 1xtc s ASN 38 N -4.31 7.07 -0.41 3.03 3.84 -1.26 -4.93 114.94 117.97 1xtc s ASN 38 Ca 0.48 1.99 -0.04 0.00 0.21 0.00 0.00 52.86 55.50 1xtc s ASN 38 Cb -0.04 -2.57 0.11 0.00 -0.55 0.00 0.00 41.25 38.19 1xtc s ASN 38 CO 0.29 -0.50 0.21 -0.63 -2.79 0.00 0.00 177.10 173.68 1xtc s ILE 39 N 1.29 3.38 -0.19 -5.21 1.01 -1.26 -0.11 121.20 120.12 1xtc s ILE 39 Ca 0.58 -1.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.18 1xtc s ILE 39 Cb -0.29 -3.28 0.07 0.00 0.01 0.00 0.00 42.46 38.98 1xtc s ILE 39 CO 0.28 -0.66 0.43 0.21 0.00 0.00 0.00 174.94 175.21 1xtc s ASN 40 N 1.87 -0.44 -0.09 3.58 2.47 -0.06 -4.97 114.94 117.31 1xtc s ASN 40 Ca 0.07 0.98 -0.25 0.00 0.42 0.00 0.00 52.86 54.08 1xtc s ASN 40 Cb -0.23 1.08 -0.28 0.00 -1.45 0.00 0.00 41.25 40.37 1xtc s ASN 40 CO -0.03 -0.21 0.86 0.25 -3.72 0.00 0.00 177.10 174.24 1xtc h LEU 41 N 7.58 0.22 -0.23 3.21 7.12 -1.73 -0.88 115.31 130.60 1xtc h LEU 41 Ca -0.27 -0.95 0.05 0.00 0.13 0.00 0.00 57.88 56.84 1xtc h LEU 41 Cb 1.15 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 41.14 1xtc h LEU 41 CO 0.21 1.15 -0.42 0.22 -0.13 0.00 0.00 178.44 179.48 1xtc h TYR 42 N -0.67 -1.20 -0.07 1.25 3.20 -1.59 1.33 116.97 119.23 1xtc h TYR 42 Ca -0.06 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1xtc h TYR 42 Cb 1.26 0.56 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 1xtc h TYR 42 CO 0.23 -0.46 0.02 -0.44 -1.64 0.00 0.00 178.16 175.87 1xtc h ASP 43 N -0.43 0.10 -0.54 -2.11 3.32 -1.84 -2.93 116.42 111.99 1xtc h ASP 43 Ca 0.10 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 56.99 1xtc h ASP 43 Cb 0.61 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 1xtc h ASP 43 CO -0.46 0.29 -0.56 -0.74 -1.72 0.00 0.00 179.24 176.05 1xtc h HIS 44 N -0.10 -1.75 -1.23 4.55 -0.00 0.06 -2.18 115.15 114.50 1xtc h HIS 44 Ca 0.02 0.09 0.36 0.00 -0.00 0.00 0.00 60.37 60.84 1xtc h HIS 44 Cb 0.23 0.83 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 1xtc h HIS 44 CO 0.00 -0.46 0.92 0.00 -0.00 0.00 0.00 177.93 178.39 1xtc h ALA 45 N 0.07 3.15 -0.03 5.26 0.00 0.19 -2.59 119.26 125.31 1xtc h ALA 45 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xtc h ALA 45 Cb 0.55 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xtc h ALA 45 CO -0.67 -1.55 -0.23 2.89 0.00 0.00 0.00 179.25 179.69 1xtc n ARG 46 N -4.08 1.53 -2.37 0.00 1.85 -0.84 -4.69 116.66 108.06 1xtc n ARG 46 Ca 0.27 -2.95 -0.33 0.00 -1.00 0.00 0.00 57.85 53.84 1xtc n ARG 46 Cb 1.32 -1.59 -0.03 0.00 -1.05 0.00 0.00 32.46 31.11 1xtc n ARG 46 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xtc s GLY 47 N -2.97 2.16 -0.04 2.89 0.00 -0.98 -5.02 107.32 103.36 1xtc s GLY 47 Ca 0.36 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 1xtc s GLY 47 CO -0.01 0.59 0.69 -0.91 0.00 0.00 0.00 173.10 173.46 1xtc h THR 48 N 0.97 0.96 0.00 0.90 1.35 -1.94 -3.49 112.91 111.67 1xtc h THR 48 Ca -0.47 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1xtc h THR 48 Cb 1.20 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 1xtc h THR 48 CO 0.60 0.84 0.00 0.00 -0.25 0.00 0.00 175.52 176.71 1xtc n GLN 49 N -3.53 0.00 -0.06 4.72 6.02 -1.26 -5.07 117.38 118.21 1xtc n GLN 49 Ca -0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.72 1xtc n GLN 49 Cb 1.06 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.29 1xtc n GLN 49 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1xtc h THR 50 N 0.00 0.45 -0.11 5.09 1.35 -1.98 -3.43 112.91 114.28 1xtc h THR 50 Ca 0.00 -1.36 -0.20 0.00 -0.55 0.00 0.00 66.41 64.30 1xtc h THR 50 Cb 0.00 0.88 -0.19 0.00 -1.73 0.00 0.00 68.15 67.10 1xtc h THR 50 CO 0.00 0.15 -0.45 0.61 -0.25 0.00 0.00 175.52 175.58 1xtc n GLY 51 N 1.71 1.78 3.64 5.82 0.00 -1.26 -5.03 105.19 111.85 1xtc n GLY 51 Ca -0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 1xtc n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xtc s PHE 52 N -0.50 -0.53 0.36 1.61 0.08 -1.26 -4.72 117.98 113.02 1xtc s PHE 52 Ca 0.16 1.15 -0.28 0.00 0.12 0.00 0.00 56.93 58.08 1xtc s PHE 52 Cb 0.42 0.37 -0.11 0.00 -0.57 0.00 0.00 43.02 43.12 1xtc s PHE 52 CO -0.10 -0.26 1.46 1.33 -0.10 0.00 0.00 175.22 177.55 1xtc n VAL 53 N 3.00 1.87 -1.24 -0.44 0.24 -1.26 -4.64 118.33 115.85 1xtc n VAL 53 Ca -0.16 -0.47 -0.51 0.00 -2.04 0.00 0.00 64.34 61.17 1xtc n VAL 53 Cb 0.57 -1.89 -0.08 0.00 -1.47 0.00 0.00 33.84 30.97 1xtc n VAL 53 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1xtc n ARG 54 N 0.69 0.00 -1.36 7.34 1.85 -1.26 -4.85 116.66 119.07 1xtc n ARG 54 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.87 1xtc n ARG 54 Cb 0.38 -1.17 -0.01 0.00 -1.05 0.00 0.00 32.46 30.60 1xtc n ARG 54 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1xtc n HIS 55 N 4.04 -0.01 -3.05 2.89 1.44 -1.26 -1.47 115.22 117.80 1xtc n HIS 55 Ca 0.31 -0.56 -0.18 0.00 -2.01 0.00 0.00 57.72 55.27 1xtc n HIS 55 Cb -0.04 0.14 0.06 0.00 0.12 0.00 0.00 29.99 30.27 1xtc n HIS 55 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1xtc n ASP 56 N 0.23 2.01 -3.92 4.39 8.00 -1.22 0.31 116.55 126.36 1xtc n ASP 56 Ca -0.08 -2.47 -0.25 0.00 0.71 0.00 0.00 54.79 52.70 1xtc n ASP 56 Cb 0.96 -0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1xtc n ASP 56 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xtc n ASP 57 N -2.36 -2.16 -1.03 -2.24 9.92 -1.26 -3.08 116.55 114.34 1xtc n ASP 57 Ca 0.15 -0.70 -0.13 0.00 -0.53 0.00 0.00 54.79 53.58 1xtc n ASP 57 Cb 0.57 -0.83 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 1xtc n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xtc n GLY 58 N -1.56 1.39 3.10 0.44 0.00 0.84 -0.88 105.19 108.53 1xtc n GLY 58 Ca -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1xtc n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xtc s TYR 59 N -2.43 0.46 -0.05 1.61 1.51 -1.18 0.15 117.35 117.43 1xtc s TYR 59 Ca 0.00 -0.98 0.04 0.00 -1.01 0.00 0.00 57.07 55.11 1xtc s TYR 59 Cb 0.00 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.51 1xtc s TYR 59 CO 0.00 -0.39 -0.16 0.08 -1.11 0.00 0.00 175.55 173.98 1xtc s VAL 60 N -3.77 1.34 0.06 0.71 1.01 -0.67 -3.45 120.40 115.62 1xtc s VAL 60 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1xtc s VAL 60 Cb 0.07 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 1xtc s VAL 60 CO -0.10 0.39 0.45 -0.55 0.00 0.00 0.00 175.10 175.30 1xtc s SER 61 N 0.25 6.78 0.38 3.32 0.15 -0.54 -1.35 113.70 122.70 1xtc s SER 61 Ca -0.08 0.96 0.08 0.00 0.70 0.00 0.00 55.95 57.61 1xtc s SER 61 Cb -0.13 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.87 1xtc s SER 61 CO 0.03 0.23 -0.00 0.42 1.20 0.00 0.00 173.24 175.11 1xtc s THR 62 N -1.27 2.17 -0.03 6.45 -4.23 0.97 -4.78 115.64 114.93 1xtc s THR 62 Ca 0.30 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1xtc s THR 62 Cb -0.16 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1xtc s THR 62 CO 0.17 -0.08 -0.23 -0.44 -0.54 0.00 0.00 174.62 173.50 1xtc s SER 63 N -3.70 2.72 0.00 3.99 0.01 0.95 -3.14 113.70 114.52 1xtc s SER 63 Ca 0.35 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1xtc s SER 63 Cb 0.06 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1xtc s SER 63 CO 0.18 0.26 0.53 2.30 0.41 0.00 0.00 173.24 176.92 1xtc n ILE 64 N 2.71 0.11 -0.99 1.44 -5.35 -1.26 0.15 119.36 116.17 1xtc n ILE 64 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1xtc n ILE 64 Cb 0.52 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1xtc n ILE 64 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1xtc n SER 65 N 0.08 0.00 0.00 7.28 3.41 -1.26 -4.92 113.62 118.21 1xtc n SER 65 Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1xtc n SER 65 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1xtc n SER 65 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xtc n LEU 66 N 0.00 0.00 -0.21 1.04 -0.00 -1.26 -4.32 117.00 112.24 1xtc n LEU 66 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1xtc n LEU 66 Cb 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.72 1xtc n LEU 66 CO 0.00 0.00 0.37 -1.14 -0.00 0.00 0.00 177.39 176.62 1xtc n ARG 67 N 0.00 -0.08 0.26 1.96 0.63 -1.26 0.20 116.66 118.37 1xtc n ARG 67 Ca 0.00 0.91 -0.16 0.00 -0.92 0.00 0.00 57.85 57.68 1xtc n ARG 67 Cb 0.00 -1.35 -0.09 0.00 0.45 0.00 0.00 32.46 31.47 1xtc n ARG 67 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1xtc h SER 68 N 0.00 -1.23 -0.20 6.15 0.87 -1.99 0.32 113.55 117.47 1xtc h SER 68 Ca 0.26 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.97 1xtc h SER 68 Cb 0.40 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1xtc h SER 68 CO -0.59 -0.59 0.18 0.00 -0.53 0.00 0.00 176.83 175.30 1xtc h ALA 69 N -1.01 1.93 0.08 6.23 0.00 0.41 -1.19 119.26 125.71 1xtc h ALA 69 Ca -0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 1xtc h ALA 69 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xtc h ALA 69 CO -0.06 -0.28 -1.69 1.25 0.00 0.00 0.00 179.25 178.47 1xtc h HIS 70 N 0.00 0.33 -0.43 0.00 -0.00 0.24 -3.17 115.15 112.12 1xtc h HIS 70 Ca 0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1xtc h HIS 70 Cb 0.46 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 1xtc h HIS 70 CO 0.00 1.38 0.27 1.25 -0.00 0.00 0.00 177.93 180.83 1xtc h LEU 71 N 0.05 0.51 -1.18 0.26 7.12 -0.38 -1.47 115.31 120.22 1xtc h LEU 71 Ca -0.30 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1xtc h LEU 71 Cb 2.01 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 42.02 1xtc h LEU 71 CO 0.12 0.39 0.00 -0.37 -0.13 0.00 0.00 178.44 178.45 1xtc h VAL 72 N 0.58 0.00 0.00 1.05 -1.51 -1.33 -3.15 116.25 111.88 1xtc h VAL 72 Ca 0.16 -0.41 -0.12 0.00 -1.23 0.00 0.00 66.70 65.10 1xtc h VAL 72 Cb -0.03 1.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 1xtc h VAL 72 CO -0.03 0.00 -1.66 0.61 -1.23 0.00 0.00 177.57 175.26 1xtc n GLY 73 N 0.03 -0.54 1.75 5.19 0.00 -0.88 -3.52 105.19 107.23 1xtc n GLY 73 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1xtc n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtc n GLN 74 N -2.20 3.84 -0.02 1.61 10.64 -0.61 0.16 117.38 130.81 1xtc n GLN 74 Ca -0.11 -2.63 -0.02 0.00 -1.83 0.00 0.00 57.00 52.40 1xtc n GLN 74 Cb 0.63 -2.12 -0.02 0.00 -0.86 0.00 0.00 30.24 27.87 1xtc n GLN 74 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1xtc n THR 75 N 0.23 0.23 0.00 -0.39 -1.04 -1.19 -4.59 114.28 107.53 1xtc n THR 75 Ca 0.29 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1xtc n THR 75 Cb 1.14 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1xtc n THR 75 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1xtc n ILE 76 N -2.45 0.00 0.00 12.58 5.41 -1.08 -4.62 119.36 129.20 1xtc n ILE 76 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1xtc n ILE 76 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 1xtc n ILE 76 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xtc n LEU 77 N 0.00 0.00 -4.76 1.39 7.99 0.12 -4.47 117.00 117.28 1xtc n LEU 77 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.59 1xtc n LEU 77 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1xtc n LEU 77 CO 0.00 0.00 0.99 -0.55 -1.51 0.00 0.00 177.39 176.32 1xtc s SER 78 N 0.00 6.82 0.00 -1.43 0.15 -1.06 -2.64 113.70 115.54 1xtc s SER 78 Ca 0.00 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1xtc s SER 78 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1xtc s SER 78 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1xtc n GLY 79 N 1.46 1.24 3.61 9.45 0.00 -1.26 -5.01 105.19 114.68 1xtc n GLY 79 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1xtc n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xtc s HIS 80 N -0.87 3.16 0.08 1.61 4.02 -1.08 -4.97 115.29 117.24 1xtc s HIS 80 Ca 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 55.06 56.04 1xtc s HIS 80 Cb 0.00 -1.95 -0.26 0.00 -1.02 0.00 0.00 32.58 29.36 1xtc s HIS 80 CO 0.00 0.21 1.17 0.77 1.02 0.00 0.00 174.74 177.90 1xtc h SER 81 N 6.18 0.43 -2.91 1.40 0.02 -1.87 -3.44 113.55 113.36 1xtc h SER 81 Ca -0.40 -0.44 -0.63 0.00 -0.84 0.00 0.00 61.79 59.49 1xtc h SER 81 Cb 1.18 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1xtc h SER 81 CO 0.63 1.33 -0.30 -0.89 -1.14 0.00 0.00 176.83 176.46 1xtc s THR 82 N -2.73 5.20 -0.10 -2.27 2.01 -1.12 -2.65 115.64 113.97 1xtc s THR 82 Ca -0.04 0.62 -0.33 0.00 0.31 0.00 0.00 61.69 62.26 1xtc s THR 82 Cb 0.07 -3.61 0.13 0.00 0.01 0.00 0.00 72.50 69.10 1xtc s THR 82 CO 0.88 0.58 1.26 -0.72 -0.69 0.00 0.00 174.62 175.92 1xtc s TYR 83 N -0.96 -0.08 0.22 4.92 1.13 -0.04 -4.93 117.35 117.62 1xtc s TYR 83 Ca 0.21 0.00 0.10 0.00 -1.41 0.00 0.00 57.07 55.97 1xtc s TYR 83 Cb -0.15 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 1xtc s TYR 83 CO 0.10 -0.24 -0.20 0.71 -2.51 0.00 0.00 175.55 173.41 1xtc s TYR 84 N -2.41 2.11 -0.23 -3.49 2.02 -0.02 0.19 117.35 115.52 1xtc s TYR 84 Ca 0.12 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1xtc s TYR 84 Cb 0.02 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 1xtc s TYR 84 CO -0.04 0.53 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.84 1xtc s LEU 85 N -3.12 2.81 -0.17 -1.29 1.02 -0.50 -1.62 118.68 115.82 1xtc s LEU 85 Ca 0.24 -1.10 -0.19 0.00 0.02 0.00 0.00 54.13 53.10 1xtc s LEU 85 Cb -0.05 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 1xtc s LEU 85 CO 0.11 -0.14 0.53 -0.31 0.02 0.00 0.00 176.35 176.55 1xtc s TYR 86 N 1.24 3.43 -0.03 0.29 2.02 -1.05 0.23 117.35 123.48 1xtc s TYR 86 Ca -0.04 0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 57.22 1xtc s TYR 86 Cb -0.17 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 1xtc s TYR 86 CO -0.08 -0.02 0.95 0.08 -1.57 0.00 0.00 175.55 174.92 1xtc s VAL 87 N 1.31 4.87 -0.24 0.71 1.01 -0.55 -2.67 120.40 124.84 1xtc s VAL 87 Ca 0.26 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.21 1xtc s VAL 87 Cb -0.15 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.01 1xtc s VAL 87 CO 0.10 0.14 0.04 -0.76 0.00 0.00 0.00 175.10 174.62 1xtc s LEU 88 N 1.19 1.75 0.66 3.92 1.02 0.15 -0.23 118.68 127.15 1xtc s LEU 88 Ca 0.50 -1.13 -0.14 0.00 0.02 0.00 0.00 54.13 53.38 1xtc s LEU 88 Cb -0.20 -0.78 -0.12 0.00 0.02 0.00 0.00 46.19 45.10 1xtc s LEU 88 CO 0.25 -0.32 -0.45 0.00 0.02 0.00 0.00 176.35 175.85 1xtc n ALA 89 N 4.92 -4.13 -2.80 4.21 0.00 -1.19 -1.99 120.51 119.53 1xtc n ALA 89 Ca -0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 1xtc n ALA 89 Cb 0.45 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1xtc n ALA 89 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xtc s THR 90 N -1.63 4.92 0.06 0.00 -4.23 -0.77 -4.65 115.64 109.33 1xtc s THR 90 Ca 0.38 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1xtc s THR 90 Cb -0.25 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1xtc s THR 90 CO 0.62 0.50 -0.02 0.00 -0.54 0.00 0.00 174.62 175.19 1xtc s ALA 91 N -0.01 0.52 -1.20 3.99 0.00 -1.26 -3.80 121.76 120.00 1xtc s ALA 91 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1xtc s ALA 91 Cb -0.12 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1xtc s ALA 91 CO 0.01 -0.38 0.22 -0.35 0.00 0.00 0.00 175.76 175.26 1xtc n PRO 92 N 0.09 0.37 -0.22 0.00 -0.04 -1.00 -2.15 135.00 132.05 1xtc n PRO 92 Ca -0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1xtc n PRO 92 Cb 0.61 -1.15 0.18 0.00 -0.04 0.00 0.00 33.50 33.10 1xtc n PRO 92 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xtc n ASN 93 N 0.15 3.13 -4.52 3.54 6.94 -1.26 -4.49 115.26 118.74 1xtc n ASN 93 Ca 0.00 -2.10 -0.38 0.00 -0.02 0.00 0.00 54.58 52.08 1xtc n ASN 93 Cb 0.07 -0.29 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 1xtc n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1xtc s MET 94 N -1.18 3.72 -0.14 -3.83 -1.94 -0.91 -0.32 119.30 114.70 1xtc s MET 94 Ca 0.27 -0.47 -0.04 0.00 -1.71 0.00 0.00 55.69 53.75 1xtc s MET 94 Cb 0.15 -3.59 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 1xtc s MET 94 CO 0.17 -0.26 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.85 1xtc s PHE 95 N 1.70 3.10 -0.53 -0.03 0.08 0.56 -4.32 117.98 118.55 1xtc s PHE 95 Ca 0.06 -0.07 -0.23 0.00 0.12 0.00 0.00 56.93 56.82 1xtc s PHE 95 Cb -0.16 -1.92 0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1xtc s PHE 95 CO 0.08 0.17 0.85 1.21 -0.10 0.00 0.00 175.22 177.43 1xtc s ASN 96 N -0.06 6.33 0.26 1.36 3.84 -1.26 -0.49 114.94 124.92 1xtc s ASN 96 Ca 0.03 -0.44 -0.02 0.00 0.21 0.00 0.00 52.86 52.65 1xtc s ASN 96 Cb -0.13 -2.40 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 1xtc s ASN 96 CO 0.02 -1.11 1.78 0.58 -2.79 0.00 0.00 177.10 175.57 1xtc h VAL 97 N 5.98 0.78 -0.11 -5.21 2.07 -1.89 -0.18 116.25 117.69 1xtc h VAL 97 Ca -0.26 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1xtc h VAL 97 Cb 1.08 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xtc h VAL 97 CO 1.04 0.12 0.04 0.78 0.02 0.00 0.00 177.57 179.58 1xtc h ASN 98 N 0.68 0.15 0.53 0.57 -0.26 -1.90 0.15 115.58 115.50 1xtc h ASN 98 Ca 0.45 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1xtc h ASN 98 Cb 0.58 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1xtc h ASN 98 CO -0.33 0.28 0.00 0.47 -1.06 0.00 0.00 177.43 176.79 1xtc n ASP 99 N -4.91 0.00 -0.13 5.81 8.00 -0.88 0.09 116.55 124.54 1xtc n ASP 99 Ca -0.06 0.41 -0.27 0.00 0.71 0.00 0.00 54.79 55.58 1xtc n ASP 99 Cb 0.12 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1xtc n ASP 99 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xtc n VAL 100 N -1.46 1.53 0.02 2.53 0.31 0.21 -4.65 118.33 116.82 1xtc n VAL 100 Ca 0.05 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 1xtc n VAL 100 Cb 0.19 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 31.13 1xtc n VAL 100 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xtc h LEU 101 N -0.85 0.24 0.00 7.52 3.38 -0.89 -3.45 115.31 121.25 1xtc h LEU 101 Ca -0.63 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 56.92 1xtc h LEU 101 Cb 1.62 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1xtc h LEU 101 CO -0.34 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1xtc n GLY 102 N 1.69 1.22 0.14 0.83 0.00 0.11 -2.02 105.19 107.16 1xtc n GLY 102 Ca -0.19 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1xtc n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtc h ALA 103 N -0.65 -0.21 0.00 4.61 0.00 -1.95 -3.22 119.26 117.84 1xtc h ALA 103 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xtc h ALA 103 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xtc h ALA 103 CO 0.00 -0.63 0.00 0.66 0.00 0.00 0.00 179.25 179.28 1xtc n TYR 104 N -5.21 0.00 -2.99 0.00 4.01 -0.86 -4.82 117.16 107.30 1xtc n TYR 104 Ca -0.08 -0.09 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 1xtc n TYR 104 Cb 0.13 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1xtc n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1xtc s SER 105 N 0.02 6.79 0.00 7.72 0.15 -1.22 -4.92 113.70 122.24 1xtc s SER 105 Ca 0.00 0.97 0.06 0.00 0.70 0.00 0.00 55.95 57.68 1xtc s SER 105 Cb 0.00 -2.40 0.27 0.00 -1.71 0.00 0.00 66.02 62.18 1xtc s SER 105 CO 0.00 -0.38 1.16 -2.65 1.20 0.00 0.00 173.24 172.56 1xtc n PRO 106 N 5.43 0.02 -2.69 5.44 -0.02 -1.26 -4.07 135.00 137.84 1xtc n PRO 106 Ca 0.02 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 1xtc n PRO 106 Cb 0.49 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.55 1xtc n PRO 106 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1xtc n HIS 107 N -1.45 -1.99 0.00 6.00 8.25 -1.26 -4.99 115.22 119.78 1xtc n HIS 107 Ca 0.02 -1.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.84 1xtc n HIS 107 Cb 0.06 1.50 0.00 0.00 1.12 0.00 0.00 29.99 32.68 1xtc n HIS 107 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xtc n PRO 108 N -0.41 0.00 0.00 -0.41 -0.02 -1.26 -1.76 135.00 131.15 1xtc n PRO 108 Ca -0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xtc n PRO 108 Cb 0.78 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1xtc n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xtc n ASP 109 N -1.67 0.00 0.21 2.55 9.92 -1.26 0.22 116.55 126.52 1xtc n ASP 109 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1xtc n ASP 109 Cb 0.00 0.00 0.57 0.00 -0.64 0.00 0.00 41.12 41.05 1xtc n ASP 109 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1xtc h GLU 110 N 0.00 0.00 -0.35 -1.24 3.07 -1.80 -3.48 114.58 110.78 1xtc h GLU 110 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xtc h GLU 110 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1xtc h GLU 110 CO 0.00 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.65 1xtc n GLN 111 N -2.33 0.00 -4.06 2.33 1.13 0.60 -4.96 117.38 110.10 1xtc n GLN 111 Ca -0.01 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.73 1xtc n GLN 111 Cb 0.23 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.51 1xtc n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1xtc s GLU 112 N 0.00 3.02 -0.06 -1.09 0.41 -1.26 -4.42 118.70 115.30 1xtc s GLU 112 Ca 0.00 -0.58 0.05 0.00 -0.41 0.00 0.00 54.97 54.03 1xtc s GLU 112 Cb 0.00 -2.82 -0.02 0.00 -1.78 0.00 0.00 34.13 29.52 1xtc s GLU 112 CO 0.00 0.61 -0.20 0.08 -0.49 0.00 0.00 175.26 175.25 1xtc s VAL 113 N -1.32 2.48 -0.06 2.63 1.01 -1.19 -2.67 120.40 121.29 1xtc s VAL 113 Ca 0.27 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1xtc s VAL 113 Cb -0.12 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1xtc s VAL 113 CO 0.19 0.57 -0.11 -0.44 0.00 0.00 0.00 175.10 175.31 1xtc s SER 114 N -0.32 1.65 -0.35 3.32 0.01 0.36 -0.02 113.70 118.35 1xtc s SER 114 Ca 0.02 -0.27 -0.20 0.00 1.31 0.00 0.00 55.95 56.81 1xtc s SER 114 Cb -0.13 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.40 1xtc s SER 114 CO 0.02 0.04 0.60 0.00 0.41 0.00 0.00 173.24 174.32 1xtc s ALA 115 N 0.58 3.47 -0.01 1.44 0.00 -0.45 -0.32 121.76 126.47 1xtc s ALA 115 Ca -0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1xtc s ALA 115 Cb -0.14 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1xtc s ALA 115 CO 0.03 -1.27 1.42 -1.17 0.00 0.00 0.00 175.76 174.78 1xtc s LEU 116 N 2.62 4.31 0.00 0.00 1.98 0.56 -1.68 118.68 126.48 1xtc s LEU 116 Ca 0.23 2.13 0.00 0.00 -2.89 0.00 0.00 54.13 53.60 1xtc s LEU 116 Cb -0.15 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.14 1xtc s LEU 116 CO 0.14 -0.74 0.00 0.61 -1.89 0.00 0.00 176.35 174.47 1xtc n GLY 117 N 3.69 2.91 0.00 7.98 0.00 0.39 -4.89 105.19 115.28 1xtc n GLY 117 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xtc n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtc n GLY 118 N -0.93 0.72 3.12 -0.02 0.00 -1.17 -4.48 105.19 102.44 1xtc n GLY 118 Ca 0.00 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 1xtc n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xtc s ILE 119 N -0.80 2.85 0.07 -0.61 1.09 0.74 -4.82 121.20 119.72 1xtc s ILE 119 Ca 0.00 -1.73 -0.35 0.00 -1.10 0.00 0.00 60.65 57.46 1xtc s ILE 119 Cb 0.00 -2.80 -0.15 0.00 -1.06 0.00 0.00 42.46 38.46 1xtc s ILE 119 CO 0.00 -0.32 1.56 -0.81 -0.10 0.00 0.00 174.94 175.27 1xtc n PRO 120 N 4.53 1.77 -0.15 2.79 -0.04 -1.26 -1.44 135.00 141.21 1xtc n PRO 120 Ca -0.08 0.64 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 1xtc n PRO 120 Cb 0.42 -2.38 0.24 0.00 -0.04 0.00 0.00 33.50 31.74 1xtc n PRO 120 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1xtc n TYR 121 N 3.77 0.35 -0.15 0.54 9.36 0.34 0.26 117.16 131.64 1xtc n TYR 121 Ca 0.19 0.35 -0.06 0.00 3.32 0.00 0.00 57.90 61.70 1xtc n TYR 121 Cb 0.25 -0.76 0.12 0.00 -0.63 0.00 0.00 39.34 38.32 1xtc n TYR 121 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1xtc h SER 122 N 0.00 0.86 -0.07 2.98 4.64 -1.82 -3.15 113.55 117.00 1xtc h SER 122 Ca 0.32 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1xtc h SER 122 Cb 0.96 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1xtc h SER 122 CO -0.23 0.92 0.01 1.56 -0.87 0.00 0.00 176.83 178.22 1xtc h GLN 123 N 0.83 0.03 -5.85 4.77 4.20 0.33 -3.33 115.11 116.09 1xtc h GLN 123 Ca 0.16 -0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.29 1xtc h GLN 123 Cb 0.48 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1xtc h GLN 123 CO 0.02 0.02 1.52 -0.89 -0.67 0.00 0.00 178.83 178.84 1xtc n ILE 124 N -5.09 0.18 0.22 2.54 5.41 -1.19 -3.19 119.36 118.24 1xtc n ILE 124 Ca -0.06 -0.47 0.10 0.00 1.00 0.00 0.00 62.75 63.32 1xtc n ILE 124 Cb 0.05 -2.30 0.47 0.00 -0.71 0.00 0.00 39.64 37.14 1xtc n ILE 124 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1xtc h TYR 125 N 15.38 0.00 0.00 1.39 5.03 -0.84 -3.42 116.97 134.50 1xtc h TYR 125 Ca -0.32 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.99 1xtc h TYR 125 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.55 1xtc h TYR 125 CO 0.96 0.22 0.00 0.41 -1.32 0.00 0.00 178.16 178.43 1xtc n GLY 126 N 0.12 -0.46 3.54 1.82 0.00 -1.22 -1.95 105.19 107.04 1xtc n GLY 126 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1xtc n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xtc s TRP 127 N -2.94 -0.33 0.28 1.61 -2.14 -0.57 -1.48 118.94 113.38 1xtc s TRP 127 Ca 0.00 0.15 0.03 0.00 2.66 0.00 0.00 56.10 58.94 1xtc s TRP 127 Cb 0.00 0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 30.90 1xtc s TRP 127 CO 0.00 -0.62 0.44 0.71 -2.66 0.00 0.00 176.95 174.82 1xtc s TYR 128 N -3.21 3.48 -0.17 1.66 2.02 0.64 -2.22 117.35 119.55 1xtc s TYR 128 Ca 0.06 0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1xtc s TYR 128 Cb -0.01 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1xtc s TYR 128 CO -0.07 0.30 -0.06 0.50 -1.57 0.00 0.00 175.55 174.65 1xtc s ARG 129 N -4.05 3.49 -0.40 -0.62 3.52 -1.26 -1.41 118.95 118.23 1xtc s ARG 129 Ca 0.37 -0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 55.28 1xtc s ARG 129 Cb -0.09 -2.88 0.06 0.00 -1.56 0.00 0.00 34.95 30.47 1xtc s ARG 129 CO 0.32 0.07 0.22 0.08 -0.81 0.00 0.00 175.30 175.18 1xtc s VAL 130 N 0.78 4.27 0.03 7.11 1.01 0.51 -2.76 120.40 131.35 1xtc s VAL 130 Ca -0.02 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1xtc s VAL 130 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1xtc s VAL 130 CO 0.02 -0.39 -0.21 -1.38 0.00 0.00 0.00 175.10 173.14 1xtc s HIS 131 N 1.46 2.47 -0.86 5.22 -3.43 -1.09 -0.86 115.29 118.20 1xtc s HIS 131 Ca 0.02 -0.32 -0.15 0.00 -0.80 0.00 0.00 55.06 53.81 1xtc s HIS 131 Cb -0.21 -1.46 0.02 0.00 -1.43 0.00 0.00 32.58 29.50 1xtc s HIS 131 CO 0.04 0.17 0.29 1.19 -2.00 0.00 0.00 174.74 174.42 1xtc n PHE 132 N 1.81 -0.86 0.00 0.38 3.01 -1.14 -1.96 117.46 118.69 1xtc n PHE 132 Ca -0.16 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1xtc n PHE 132 Cb 0.52 -1.78 0.00 0.00 -0.01 0.00 0.00 39.48 38.20 1xtc n PHE 132 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xtc n GLY 133 N -1.81 0.23 3.62 1.37 0.00 -1.26 -4.84 105.19 102.50 1xtc n GLY 133 Ca -0.12 -0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.36 1xtc n GLY 133 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xtc n VAL 134 N 0.00 0.09 -2.14 1.61 3.14 -0.83 -4.92 118.33 115.27 1xtc n VAL 134 Ca 0.00 -0.02 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 1xtc n VAL 134 Cb 0.00 -0.95 0.01 0.00 -1.06 0.00 0.00 33.84 31.84 1xtc n VAL 134 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1xtc s LEU 135 N 1.31 3.85 -0.35 6.55 2.96 -1.26 -3.62 118.68 128.13 1xtc s LEU 135 Ca 0.88 2.35 -0.01 0.00 -0.22 0.00 0.00 54.13 57.13 1xtc s LEU 135 Cb -0.97 -4.40 0.08 0.00 0.50 0.00 0.00 46.19 41.40 1xtc s LEU 135 CO 0.51 -1.22 0.09 -0.62 -1.32 0.00 0.00 176.35 173.80 1xtc s ASP 136 N -1.45 5.03 0.00 3.68 2.15 -1.11 -4.98 116.67 119.98 1xtc s ASP 136 Ca 0.70 -1.70 0.02 0.00 0.43 0.00 0.00 52.55 52.00 1xtc s ASP 136 Cb -0.29 -1.75 0.13 0.00 -0.30 0.00 0.00 42.92 40.70 1xtc s ASP 136 CO 0.34 -0.39 0.52 -0.62 -0.17 0.00 0.00 175.17 174.85 1xtc n GLU 137 N 4.56 0.09 -3.00 4.34 -0.58 -1.26 -4.10 120.64 120.69 1xtc n GLU 137 Ca -0.06 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.28 1xtc n GLU 137 Cb 0.42 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 1xtc n GLU 137 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1xtc s GLN 138 N -2.00 4.46 -0.21 3.49 -0.44 -1.26 -5.02 119.66 118.68 1xtc s GLN 138 Ca 0.03 0.98 -0.10 0.00 -2.50 0.00 0.00 55.36 53.77 1xtc s GLN 138 Cb 0.01 -3.43 -0.05 0.00 -1.64 0.00 0.00 33.01 27.91 1xtc s GLN 138 CO 0.02 0.11 0.14 -1.17 0.50 0.00 0.00 175.29 174.90 1xtc s LEU 139 N 0.61 4.19 -0.71 3.68 0.20 -1.26 -4.48 118.68 120.90 1xtc s LEU 139 Ca 0.39 0.21 -0.13 0.00 0.69 0.00 0.00 54.13 55.30 1xtc s LEU 139 Cb -0.19 -2.10 0.18 0.00 -0.43 0.00 0.00 46.19 43.65 1xtc s LEU 139 CO 0.20 0.15 0.64 -1.00 -0.29 0.00 0.00 176.35 176.05 1xtc s HIS 140 N 0.52 3.58 0.76 5.38 3.76 -0.94 -4.95 115.29 123.39 1xtc s HIS 140 Ca 0.08 -1.88 -0.15 0.00 -0.15 0.00 0.00 55.06 52.96 1xtc s HIS 140 Cb -0.12 -3.73 0.01 0.00 1.11 0.00 0.00 32.58 29.85 1xtc s HIS 140 CO -0.00 -0.98 0.85 0.54 -0.85 0.00 0.00 174.74 174.29 1xtc n ARG 141 N 4.31 0.32 -4.07 1.40 3.00 -1.26 -1.52 116.66 118.85 1xtc n ARG 141 Ca 0.05 0.16 -0.32 0.00 -0.01 0.00 0.00 57.85 57.73 1xtc n ARG 141 Cb 0.44 -2.13 -0.15 0.00 0.00 0.00 0.00 32.46 30.61 1xtc n ARG 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1xtc s ASN 142 N -1.72 4.04 0.28 0.55 2.47 -0.82 -4.83 114.94 114.90 1xtc s ASN 142 Ca 0.70 -1.18 -0.29 0.00 0.42 0.00 0.00 52.86 52.51 1xtc s ASN 142 Cb -0.32 -1.49 -0.10 0.00 -1.45 0.00 0.00 41.25 37.89 1xtc s ASN 142 CO 0.54 -0.15 1.24 -0.60 -3.72 0.00 0.00 177.10 174.41 1xtc s ARG 143 N 1.18 4.46 0.00 0.43 3.00 -1.26 -1.13 118.95 125.63 1xtc s ARG 143 Ca -0.05 2.03 0.00 0.00 -1.00 0.00 0.00 55.73 56.71 1xtc s ARG 143 Cb -0.18 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1xtc s ARG 143 CO -0.07 -0.07 0.00 0.41 0.00 0.00 0.00 175.30 175.57 1xtc n GLY 144 N 1.36 2.38 3.59 8.12 0.00 -1.26 -4.99 105.19 114.39 1xtc n GLY 144 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1xtc n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xtc s TYR 145 N -2.24 2.97 -0.44 1.61 5.04 -0.28 -4.16 117.35 119.84 1xtc s TYR 145 Ca 0.00 0.60 -0.22 0.00 -2.44 0.00 0.00 57.07 55.01 1xtc s TYR 145 Cb 0.00 -3.92 0.02 0.00 0.35 0.00 0.00 41.96 38.41 1xtc s TYR 145 CO 0.00 -1.02 0.73 0.50 -1.34 0.00 0.00 175.55 174.42 1xtc s ARG 146 N 3.76 3.39 -0.13 4.97 6.06 -1.25 -4.96 118.95 130.80 1xtc s ARG 146 Ca 0.39 -0.17 -0.28 0.00 -2.50 0.00 0.00 55.73 53.17 1xtc s ARG 146 Cb -0.10 -3.93 -0.25 0.00 0.06 0.00 0.00 34.95 30.73 1xtc s ARG 146 CO 0.24 -1.05 0.81 0.22 -2.50 0.00 0.00 175.30 173.02 1xtc h ASP 147 N 8.90 -0.00 -0.63 -2.12 3.58 -1.94 -2.55 116.42 121.65 1xtc h ASP 147 Ca -0.25 -0.92 0.12 0.00 0.42 0.00 0.00 57.03 56.40 1xtc h ASP 147 Cb 1.09 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.02 1xtc h ASP 147 CO 0.93 0.93 -0.26 -0.09 -2.88 0.00 0.00 179.24 177.87 1xtc h ARG 148 N -0.94 -0.09 0.68 0.28 2.43 -1.97 -0.55 114.38 114.22 1xtc h ARG 148 Ca -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1xtc h ARG 148 Cb 0.92 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1xtc h ARG 148 CO 0.00 -0.06 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.15 1xtc h TYR 149 N -0.09 -0.85 -0.51 2.20 3.20 -1.99 -3.35 116.97 115.58 1xtc h TYR 149 Ca 0.28 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 1xtc h TYR 149 Cb 0.53 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1xtc h TYR 149 CO -0.60 -0.50 -0.12 1.88 -1.64 0.00 0.00 178.16 177.18 1xtc h TYR 150 N -1.06 1.11 0.00 -3.82 0.05 -1.39 -2.54 116.97 109.32 1xtc h TYR 150 Ca -0.09 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.45 1xtc h TYR 150 Cb 0.73 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1xtc h TYR 150 CO -0.01 1.04 0.00 0.43 -1.05 0.00 0.00 178.16 178.58 1xtc n SER 151 N -4.18 0.16 0.00 3.88 7.64 -0.22 -1.46 113.62 119.45 1xtc n SER 151 Ca 0.01 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1xtc n SER 151 Cb 0.40 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1xtc n SER 151 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1xtc n ASN 152 N -0.08 0.83 -4.33 6.43 5.15 -0.96 -4.28 115.26 118.02 1xtc n ASN 152 Ca 0.00 -0.98 -0.23 0.00 -0.60 0.00 0.00 54.58 52.77 1xtc n ASN 152 Cb 0.04 0.03 -0.12 0.00 -0.53 0.00 0.00 39.78 39.20 1xtc n ASN 152 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xtc s LEU 153 N -0.06 2.39 0.15 1.20 2.96 -0.53 -4.72 118.68 120.07 1xtc s LEU 153 Ca 0.00 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1xtc s LEU 153 Cb 0.00 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1xtc s LEU 153 CO 0.00 0.01 0.10 1.51 -1.32 0.00 0.00 176.35 176.66 1xtc s ASP 154 N -2.41 0.24 0.00 3.68 -4.77 -1.25 -1.37 116.67 110.80 1xtc s ASP 154 Ca 0.13 -1.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 1xtc s ASP 154 Cb -0.07 0.33 0.00 0.00 -1.09 0.00 0.00 42.92 42.09 1xtc s ASP 154 CO 0.06 -0.77 0.00 2.30 0.70 0.00 0.00 175.17 177.46 1xtc n ILE 155 N -0.14 0.00 -1.31 2.11 -5.35 -1.24 -2.38 119.36 111.06 1xtc n ILE 155 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1xtc n ILE 155 Cb 0.64 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1xtc n ILE 155 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xtc n ALA 156 N 0.12 -2.57 -2.02 -1.28 0.00 -1.26 -4.45 120.51 109.06 1xtc n ALA 156 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1xtc n ALA 156 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1xtc n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xtc s PRO 157 N -1.80 4.28 0.47 0.00 0.04 -1.26 -4.80 135.00 131.93 1xtc s PRO 157 Ca 0.00 2.22 0.31 0.00 0.04 0.00 0.00 61.00 63.57 1xtc s PRO 157 Cb 0.00 -3.18 1.40 0.00 0.04 0.00 0.00 34.50 32.76 1xtc s PRO 157 CO 0.00 -0.48 1.71 0.00 0.04 0.00 0.00 177.00 178.27 1xtc h ALA 158 N 6.35 2.83 0.00 8.56 0.00 -1.89 0.49 119.26 135.60 1xtc h ALA 158 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xtc h ALA 158 Cb 1.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xtc h ALA 158 CO 0.86 -1.30 0.00 0.00 0.00 0.00 0.00 179.25 178.81 1xtc n ALA 159 N -2.62 1.55 0.07 0.00 0.00 -1.26 -0.59 120.51 117.66 1xtc n ALA 159 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1xtc n ALA 159 Cb 1.28 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 1xtc n ALA 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xtc h ASP 160 N 0.00 0.04 0.64 0.00 5.19 -0.35 -3.33 116.42 118.61 1xtc h ASP 160 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1xtc h ASP 160 Cb 0.15 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1xtc h ASP 160 CO 0.00 0.98 -0.26 0.61 -3.12 0.00 0.00 179.24 177.45 1xtc n GLY 161 N 1.21 -1.27 0.18 2.75 0.00 0.24 -4.34 105.19 103.97 1xtc n GLY 161 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1xtc n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xtc h TYR 162 N 0.13 0.00 0.00 1.61 0.05 -1.66 -2.68 116.97 114.42 1xtc h TYR 162 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1xtc h TYR 162 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 1xtc h TYR 162 CO 0.00 0.39 -0.38 0.78 -1.05 0.00 0.00 178.16 177.90 1xtc h GLY 163 N 1.22 0.00 0.75 3.88 0.00 -1.76 -3.30 103.07 103.86 1xtc h GLY 163 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xtc h GLY 163 CO 0.05 0.00 -1.12 1.04 0.00 0.00 0.00 176.54 176.52 1xtc n LEU 164 N -3.21 0.64 -0.30 3.11 4.77 -1.15 -4.38 117.00 116.48 1xtc n LEU 164 Ca 0.02 0.17 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1xtc n LEU 164 Cb 0.68 -0.08 0.20 0.00 -2.33 0.00 0.00 43.42 41.89 1xtc n LEU 164 CO 0.39 -0.08 0.63 0.00 -1.33 0.00 0.00 177.39 177.00 1xtc n ALA 165 N -2.05 0.34 -2.64 -1.18 0.00 -1.02 -4.06 120.51 109.89 1xtc n ALA 165 Ca 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 53.44 54.34 1xtc n ALA 165 Cb 0.51 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 19.35 1xtc n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtc n GLY 166 N -1.48 0.71 3.78 0.00 0.00 -1.26 -1.68 105.19 105.25 1xtc n GLY 166 Ca 0.17 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1xtc n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xtc s PHE 167 N -3.05 3.13 0.70 1.61 0.08 -1.26 -4.64 117.98 114.55 1xtc s PHE 167 Ca 0.08 1.61 -0.17 0.00 0.12 0.00 0.00 56.93 58.57 1xtc s PHE 167 Cb -0.04 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 1xtc s PHE 167 CO 0.11 -0.89 0.48 -2.30 -0.10 0.00 0.00 175.22 172.52 1xtc n PRO 168 N -0.27 0.31 -0.20 0.24 -0.02 -1.26 -4.82 135.00 128.98 1xtc n PRO 168 Ca 0.06 0.14 0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1xtc n PRO 168 Cb 0.49 -1.77 0.54 0.00 -0.02 0.00 0.00 33.50 32.74 1xtc n PRO 168 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xtc h PRO 169 N -0.29 0.34 -0.54 0.52 0.11 -1.94 -2.61 132.00 127.60 1xtc h PRO 169 Ca -0.45 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.32 1xtc h PRO 169 Cb 1.36 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1xtc h PRO 169 CO 0.43 0.23 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.57 1xtc n GLU 170 N -4.47 2.21 -3.17 1.05 0.28 -1.26 0.58 120.64 115.85 1xtc n GLU 170 Ca 0.17 -3.33 -0.34 0.00 -0.16 0.00 0.00 57.16 53.49 1xtc n GLU 170 Cb 0.65 -1.97 -0.06 0.00 1.43 0.00 0.00 31.44 31.50 1xtc n GLU 170 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1xtc s HIS 171 N -3.37 3.51 0.24 -1.84 2.46 -0.99 -5.01 115.29 110.29 1xtc s HIS 171 Ca 0.49 1.23 -0.05 0.00 0.47 0.00 0.00 55.06 57.20 1xtc s HIS 171 Cb 0.43 -2.52 0.36 0.00 -0.13 0.00 0.00 32.58 30.71 1xtc s HIS 171 CO 0.01 0.24 1.83 0.07 -2.47 0.00 0.00 174.74 174.43 1xtc h ARG 172 N 2.88 0.87 -1.03 2.88 0.11 -1.95 -3.11 114.38 115.03 1xtc h ARG 172 Ca -0.48 -0.05 0.26 0.00 0.10 0.00 0.00 59.98 59.81 1xtc h ARG 172 Cb 1.18 -0.20 -0.11 0.00 1.11 0.00 0.00 29.97 31.95 1xtc h ARG 172 CO 0.66 0.58 0.63 0.00 0.10 0.00 0.00 179.97 181.93 1xtc h ALA 173 N 1.43 2.00 0.00 0.08 0.00 -1.95 -1.97 119.26 118.85 1xtc h ALA 173 Ca 0.38 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1xtc h ALA 173 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xtc h ALA 173 CO -0.20 -0.45 0.00 -1.49 0.00 0.00 0.00 179.25 177.10 1xtc h TRP 174 N 0.49 0.00 -0.02 0.00 -0.00 -1.90 -2.69 115.95 111.82 1xtc h TRP 174 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.52 1xtc h TRP 174 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.55 1xtc h TRP 174 CO -0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 178.98 1xtc n ARG 175 N -2.30 2.24 -3.65 0.49 5.12 -0.75 -4.04 116.66 113.78 1xtc n ARG 175 Ca 0.01 -1.35 -0.23 0.00 -1.93 0.00 0.00 57.85 54.34 1xtc n ARG 175 Cb 0.17 -1.02 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 1xtc n ARG 175 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xtc s GLU 176 N -0.82 2.37 -0.03 5.56 2.02 -1.01 -4.87 118.70 121.91 1xtc s GLU 176 Ca 0.02 -1.77 -0.13 0.00 0.02 0.00 0.00 54.97 53.11 1xtc s GLU 176 Cb 0.01 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 1xtc s GLU 176 CO 0.01 -0.47 0.34 -1.21 0.02 0.00 0.00 175.26 173.95 1xtc s GLU 177 N -4.26 3.81 0.06 1.61 2.02 -1.26 -0.86 118.70 119.82 1xtc s GLU 177 Ca 0.44 0.27 0.25 0.00 0.02 0.00 0.00 54.97 55.95 1xtc s GLU 177 Cb -0.03 -3.22 0.44 0.00 0.10 0.00 0.00 34.13 31.42 1xtc s GLU 177 CO 0.26 0.70 1.37 -0.35 0.02 0.00 0.00 175.26 177.26 1xtc n PRO 178 N 1.92 0.16 -0.36 0.39 -0.04 -1.26 -4.92 135.00 130.89 1xtc n PRO 178 Ca -0.15 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1xtc n PRO 178 Cb 0.53 -1.59 0.24 0.00 -0.04 0.00 0.00 33.50 32.64 1xtc n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1xtc h TRP 179 N 0.00 1.14 -0.03 0.54 6.55 -1.70 -2.96 115.95 119.49 1xtc h TRP 179 Ca 0.00 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 1xtc h TRP 179 Cb 0.63 -0.36 -0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1xtc h TRP 179 CO 0.00 0.46 0.38 0.97 -1.05 0.00 0.00 178.44 179.20 1xtc h ILE 180 N 1.00 0.03 -0.05 1.49 6.09 -1.13 0.46 117.51 125.38 1xtc h ILE 180 Ca 0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.98 1xtc h ILE 180 Cb 0.48 0.62 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1xtc h ILE 180 CO -0.26 0.00 0.00 1.41 -3.07 0.00 0.00 178.15 176.23 1xtc n HIS 181 N -2.93 0.06 0.00 2.19 8.25 -1.12 -4.45 115.22 117.23 1xtc n HIS 181 Ca -0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1xtc n HIS 181 Cb 0.44 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1xtc n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xtc n HIS 182 N 0.54 0.00 -1.66 4.41 8.25 0.71 -5.09 115.22 122.38 1xtc n HIS 182 Ca 0.06 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.07 1xtc n HIS 182 Cb 0.27 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 1xtc n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtc n ALA 183 N -1.13 1.19 -0.75 -1.41 0.00 0.13 -4.30 120.51 114.24 1xtc n ALA 183 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1xtc n ALA 183 Cb 0.00 -2.60 0.12 0.00 0.00 0.00 0.00 19.45 16.97 1xtc n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xtc n PRO 184 N 7.19 -1.19 -2.38 0.00 -0.01 -1.26 -4.79 135.00 132.56 1xtc n PRO 184 Ca 0.23 -0.34 -0.36 0.00 -0.01 0.00 0.00 63.50 63.02 1xtc n PRO 184 Cb 0.34 -1.42 -0.02 0.00 -0.01 0.00 0.00 33.50 32.39 1xtc n PRO 184 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 1xtc s PRO 185 N -2.95 3.86 0.00 0.52 0.02 -1.26 -2.68 135.00 132.51 1xtc s PRO 185 Ca 0.44 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1xtc s PRO 185 Cb -0.03 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1xtc s PRO 185 CO 0.58 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.23 1xtc n GLY 186 N 0.31 0.39 3.55 0.52 0.00 -1.26 -4.93 105.19 103.77 1xtc n GLY 186 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xtc n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtc n GLY 188 N 4.86 -0.17 0.75 0.00 0.00 0.20 -4.72 105.19 106.10 1xtc n GLY 188 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xtc n GLY 188 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xtc n ASN 189 N 0.12 0.00 0.01 1.61 3.02 -1.26 -4.56 115.26 114.20 1xtc n ASN 189 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1xtc n ASN 189 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1xtc n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xtc h ALA 190 N 0.00 0.46 -1.52 5.41 0.00 -1.90 -3.43 119.26 118.29 1xtc h ALA 190 Ca 0.00 -1.38 -0.46 0.00 0.00 0.00 0.00 54.91 53.07 1xtc h ALA 190 Cb 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xtc h ALA 190 CO 0.00 1.33 -0.33 -1.25 0.00 0.00 0.00 179.25 179.00 1xtc s PRO 191 N -2.57 2.70 0.00 0.00 0.04 -1.26 -5.14 135.00 128.77 1xtc s PRO 191 Ca -0.19 -1.37 0.00 0.00 0.04 0.00 0.00 61.00 59.48 1xtc s PRO 191 Cb 0.07 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1xtc s PRO 191 CO 0.79 -0.19 0.00 -2.13 0.04 0.00 0.00 177.00 175.50