#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs3 s ARG 11 N 0.00 1.26 0.25 2.12 1.81 -1.26 -5.14 118.95 118.00 1xs3 s ARG 11 Ca 0.00 -1.52 -0.22 0.00 -1.72 0.00 0.00 55.73 52.27 1xs3 s ARG 11 Cb 0.00 -1.06 -0.09 0.00 -0.45 0.00 0.00 34.95 33.35 1xs3 s ARG 11 CO 0.00 0.18 0.80 0.21 -0.68 0.00 0.00 175.30 175.81 1xs3 s LYS 12 N -3.48 4.37 -0.62 3.54 2.47 -1.26 -5.03 119.74 119.73 1xs3 s LYS 12 Ca 0.20 1.02 -0.13 0.00 -1.56 0.00 0.00 55.97 55.50 1xs3 s LYS 12 Cb -0.01 -2.86 0.16 0.00 -1.46 0.00 0.00 37.83 33.65 1xs3 s LYS 12 CO 0.06 0.36 0.54 1.03 0.16 0.00 0.00 175.35 177.49 1xs3 s ARG 13 N -1.98 3.02 0.79 4.03 0.52 -1.26 -5.07 118.95 118.99 1xs3 s ARG 13 Ca 0.45 -2.01 -0.11 0.00 -0.52 0.00 0.00 55.73 53.55 1xs3 s ARG 13 Cb -0.17 -4.21 0.07 0.00 0.52 0.00 0.00 34.95 31.15 1xs3 s ARG 13 CO 0.22 -1.28 1.09 -1.25 0.02 0.00 0.00 175.30 174.11 1xs3 s PRO 14 N 0.99 2.13 0.00 3.54 0.04 -1.26 -5.02 135.00 135.43 1xs3 s PRO 14 Ca 0.09 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1xs3 s PRO 14 Cb -0.23 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1xs3 s PRO 14 CO -0.02 -1.72 0.00 1.47 0.04 0.00 0.00 177.00 176.77 1xs3 n LEU 15 N -3.57 0.00 0.01 -3.56 -0.00 -1.26 -4.87 117.00 103.75 1xs3 n LEU 15 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1xs3 n LEU 15 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1xs3 n LEU 15 CO 0.54 -0.24 0.00 0.47 -0.00 0.00 0.00 177.39 178.15 1xs3 n ASP 16 N -1.73 0.07 0.21 1.45 8.00 -1.26 -4.65 116.55 118.64 1xs3 n ASP 16 Ca 0.00 0.04 0.06 0.00 0.71 0.00 0.00 54.79 55.60 1xs3 n ASP 16 Cb 0.00 -0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.56 1xs3 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs3 h ALA 17 N 0.00 1.30 -0.06 2.24 0.00 -1.86 -2.25 119.26 118.64 1xs3 h ALA 17 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xs3 h ALA 17 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xs3 h ALA 17 CO 0.00 0.36 -0.19 1.49 0.00 0.00 0.00 179.25 180.90 1xs3 h GLU 18 N 0.00 0.23 -0.42 0.00 4.22 -1.88 0.00 114.58 116.74 1xs3 h GLU 18 Ca -0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 59.36 59.25 1xs3 h GLU 18 Cb 0.59 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xs3 h GLU 18 CO 0.04 0.80 0.20 0.00 -2.18 0.00 0.00 179.01 177.87 1xs3 h THR 19 N -0.29 1.18 -0.38 0.32 1.03 -1.80 -1.10 112.91 111.87 1xs3 h THR 19 Ca -0.01 -0.50 -0.16 0.00 -0.01 0.00 0.00 66.41 65.73 1xs3 h THR 19 Cb 0.82 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 1xs3 h THR 19 CO 0.04 0.19 -0.40 0.16 -0.01 0.00 0.00 175.52 175.50 1xs3 h ILE 20 N 0.53 1.27 -0.18 0.00 3.07 -1.48 -0.79 117.51 119.93 1xs3 h ILE 20 Ca 0.14 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.98 1xs3 h ILE 20 Cb 0.12 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1xs3 h ILE 20 CO -0.02 0.53 0.12 -0.09 -1.05 0.00 0.00 178.15 177.64 1xs3 h ARG 21 N 0.76 0.24 -0.40 0.16 2.43 -0.82 -1.11 114.38 115.64 1xs3 h ARG 21 Ca 0.06 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 1xs3 h ARG 21 Cb 1.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1xs3 h ARG 21 CO 0.10 0.16 -0.34 1.57 -1.51 0.00 0.00 179.97 179.95 1xs3 h LYS 22 N 0.24 0.93 -0.20 0.20 5.09 -1.21 -0.75 116.57 120.88 1xs3 h LYS 22 Ca 0.07 -0.46 0.03 0.00 0.09 0.00 0.00 60.65 60.38 1xs3 h LYS 22 Cb -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.27 1xs3 h LYS 22 CO -0.01 1.12 0.01 -0.07 -2.09 0.00 0.00 179.45 178.40 1xs3 h LEU 23 N 0.77 -0.05 -0.15 7.07 3.38 -0.90 -0.23 115.31 125.19 1xs3 h LEU 23 Ca 0.07 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1xs3 h LEU 23 Cb 0.92 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xs3 h LEU 23 CO 0.09 0.00 -0.17 0.40 0.09 0.00 0.00 178.44 178.84 1xs3 h ILE 24 N 0.08 1.35 -0.88 1.22 2.04 -1.20 -0.96 117.51 119.16 1xs3 h ILE 24 Ca 0.09 -1.35 0.15 0.00 1.00 0.00 0.00 64.86 64.75 1xs3 h ILE 24 Cb 0.11 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 1xs3 h ILE 24 CO -0.15 0.40 0.57 -0.33 0.00 0.00 0.00 178.15 178.64 1xs3 h GLU 25 N 0.02 0.64 0.21 2.37 4.39 -0.94 0.27 114.58 121.53 1xs3 h GLU 25 Ca 0.02 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.38 1xs3 h GLU 25 Cb 0.72 -0.14 0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1xs3 h GLU 25 CO 0.04 0.42 -1.32 0.77 -1.16 0.00 0.00 179.01 177.77 1xs3 h SER 26 N 0.66 0.80 0.43 1.42 0.02 -0.97 -3.37 113.55 112.53 1xs3 h SER 26 Ca 0.44 -0.90 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1xs3 h SER 26 Cb 0.75 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xs3 h SER 26 CO -0.20 1.64 -0.21 1.23 -1.14 0.00 0.00 176.83 178.15 1xs3 h GLY 27 N 0.09 -0.60 -1.37 -3.77 0.00 -0.19 -3.44 103.07 93.78 1xs3 h GLY 27 Ca -0.22 0.22 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1xs3 h GLY 27 CO 0.25 -0.22 0.38 1.08 0.00 0.00 0.00 176.54 178.04 1xs3 s LEU 28 N -9.67 3.19 0.00 3.11 1.43 0.85 -5.06 118.68 112.54 1xs3 s LEU 28 Ca -0.15 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1xs3 s LEU 28 Cb 0.03 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.76 1xs3 s LEU 28 CO 0.55 -1.25 0.00 -0.81 0.23 0.00 0.00 176.35 175.07 1xs3 n PRO 29 N -2.93 0.00 -1.00 1.29 -0.04 -1.26 -4.58 135.00 126.48 1xs3 n PRO 29 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1xs3 n PRO 29 Cb 0.54 -0.22 0.20 0.00 -0.04 0.00 0.00 33.50 33.97 1xs3 n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xs3 n GLU 30 N 0.00 2.09 -2.60 0.54 4.71 -1.26 -4.97 120.64 119.15 1xs3 n GLU 30 Ca 0.00 -3.11 -0.42 0.00 -0.01 0.00 0.00 57.16 53.62 1xs3 n GLU 30 Cb 0.00 -1.99 -0.03 0.00 -1.01 0.00 0.00 31.44 28.41 1xs3 n GLU 30 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xs3 s ALA 31 N -3.26 3.27 -0.36 0.62 0.00 -1.26 -4.92 121.76 115.85 1xs3 s ALA 31 Ca 0.50 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1xs3 s ALA 31 Cb 0.44 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1xs3 s ALA 31 CO 0.05 -0.27 0.37 1.03 0.00 0.00 0.00 175.76 176.95 1xs3 s ARG 32 N 0.73 3.48 -0.14 0.00 1.81 -0.37 -4.73 118.95 119.73 1xs3 s ARG 32 Ca 0.53 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 1xs3 s ARG 32 Cb -0.25 -3.83 0.00 0.00 -0.45 0.00 0.00 34.95 30.42 1xs3 s ARG 32 CO 0.29 -0.58 -0.19 0.08 -0.68 0.00 0.00 175.30 174.23 1xs3 s VAL 33 N 2.03 2.40 -0.09 3.52 1.01 -1.26 -0.63 120.40 127.38 1xs3 s VAL 33 Ca 0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1xs3 s VAL 33 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1xs3 s VAL 33 CO 0.12 0.53 0.00 -0.62 0.00 0.00 0.00 175.10 175.14 1xs3 s ASP 34 N 0.74 1.78 -0.05 3.32 2.15 -0.18 -4.89 116.67 119.54 1xs3 s ASP 34 Ca -0.08 -0.19 0.05 0.00 0.43 0.00 0.00 52.55 52.76 1xs3 s ASP 34 Cb -0.16 -0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 41.99 1xs3 s ASP 34 CO 0.01 -0.21 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.92 1xs3 s VAL 35 N 1.95 1.53 -0.07 1.11 1.01 -1.26 -0.18 120.40 124.49 1xs3 s VAL 35 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1xs3 s VAL 35 Cb -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1xs3 s VAL 35 CO -0.06 0.44 -0.04 -1.58 0.00 0.00 0.00 175.10 173.86 1xs3 s GLN 36 N 0.01 0.97 0.00 2.72 2.00 -0.23 -4.77 119.66 120.36 1xs3 s GLN 36 Ca -0.04 -0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.25 1xs3 s GLN 36 Cb -0.12 -1.12 0.00 0.00 0.80 0.00 0.00 33.01 32.57 1xs3 s GLN 36 CO 0.02 -0.21 0.00 0.41 -0.50 0.00 0.00 175.29 175.01 1xs3 n GLY 37 N 4.72 0.45 3.47 2.59 0.00 -1.26 -1.50 105.19 113.66 1xs3 n GLY 37 Ca -0.14 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1xs3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xs3 s GLU 38 N -0.90 1.05 0.51 1.61 2.12 -1.26 -4.73 118.70 117.11 1xs3 s GLU 38 Ca 0.00 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 54.72 1xs3 s GLU 38 Cb 0.00 0.48 -0.06 0.00 0.26 0.00 0.00 34.13 34.81 1xs3 s GLU 38 CO 0.00 -0.46 1.20 0.34 -0.54 0.00 0.00 175.26 175.80 1xs3 s ASP 39 N -2.62 5.78 0.00 -1.70 2.15 -1.26 -2.52 116.67 116.50 1xs3 s ASP 39 Ca 0.03 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1xs3 s ASP 39 Cb -0.01 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1xs3 s ASP 39 CO -0.11 -1.19 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1xs3 n GLY 40 N 0.45 1.72 3.58 2.66 0.00 -1.26 -4.89 105.19 107.46 1xs3 n GLY 40 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1xs3 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xs3 s VAL 41 N -2.59 2.31 -0.49 1.61 1.01 -1.05 -4.73 120.40 116.47 1xs3 s VAL 41 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 61.98 59.60 1xs3 s VAL 41 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1xs3 s VAL 41 CO 0.00 -0.17 1.52 -1.38 0.00 0.00 0.00 175.10 175.08 1xs3 s HIS 42 N -2.60 2.17 0.35 5.22 -3.43 -1.26 -4.67 115.29 111.07 1xs3 s HIS 42 Ca 0.34 0.59 0.07 0.00 -0.80 0.00 0.00 55.06 55.26 1xs3 s HIS 42 Cb 0.03 -4.30 -0.07 0.00 -1.43 0.00 0.00 32.58 26.81 1xs3 s HIS 42 CO 0.18 -2.16 -0.03 -0.59 -2.00 0.00 0.00 174.74 170.14 1xs3 s PHE 43 N 6.37 2.27 -0.14 0.38 -0.12 -1.26 -4.79 117.98 120.69 1xs3 s PHE 43 Ca 0.61 -0.67 -0.00 0.00 -0.05 0.00 0.00 56.93 56.81 1xs3 s PHE 43 Cb -0.13 -1.43 -0.01 0.00 -0.63 0.00 0.00 43.02 40.81 1xs3 s PHE 43 CO 0.28 0.38 -0.13 -1.83 -0.05 0.00 0.00 175.22 173.87 1xs3 s GLU 44 N -3.71 3.35 -0.14 1.99 -1.05 -0.56 -3.23 118.70 115.35 1xs3 s GLU 44 Ca 0.33 -0.69 0.01 0.00 -0.15 0.00 0.00 54.97 54.47 1xs3 s GLU 44 Cb 0.06 -2.67 0.02 0.00 -0.44 0.00 0.00 34.13 31.10 1xs3 s GLU 44 CO 0.16 0.14 -0.15 0.00 0.95 0.00 0.00 175.26 176.35 1xs3 s ALA 45 N 0.55 1.84 -0.25 -0.84 0.00 0.51 -1.07 121.76 122.50 1xs3 s ALA 45 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1xs3 s ALA 45 Cb -0.16 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.04 1xs3 s ALA 45 CO 0.04 -0.27 -0.10 0.99 0.00 0.00 0.00 175.76 176.42 1xs3 s THR 46 N 1.29 2.04 -0.10 0.00 2.01 0.75 -2.68 115.64 118.95 1xs3 s THR 46 Ca 0.01 -1.53 0.04 0.00 0.31 0.00 0.00 61.69 60.52 1xs3 s THR 46 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.21 1xs3 s THR 46 CO -0.07 -0.02 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.91 1xs3 s VAL 47 N 1.16 2.00 -0.15 3.82 1.01 -0.79 -1.01 120.40 126.44 1xs3 s VAL 47 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1xs3 s VAL 47 Cb -0.19 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1xs3 s VAL 47 CO -0.06 0.55 -0.11 0.54 0.00 0.00 0.00 175.10 176.02 1xs3 s VAL 48 N 0.40 1.37 0.24 2.92 0.11 0.20 -3.60 120.40 122.04 1xs3 s VAL 48 Ca -0.18 -0.58 -0.22 0.00 -2.93 0.00 0.00 61.98 58.07 1xs3 s VAL 48 Cb -0.18 -1.36 0.03 0.00 -1.53 0.00 0.00 36.38 33.35 1xs3 s VAL 48 CO 0.08 0.36 0.78 -0.94 -3.33 0.00 0.00 175.10 172.05 1xs3 s SER 49 N 1.56 -0.25 0.54 3.54 1.04 -0.30 -1.24 113.70 118.59 1xs3 s SER 49 Ca 0.04 -0.52 0.32 0.00 0.48 0.00 0.00 55.95 56.27 1xs3 s SER 49 Cb -0.13 0.66 1.34 0.00 0.10 0.00 0.00 66.02 67.98 1xs3 s SER 49 CO -0.09 -1.20 1.98 1.55 0.98 0.00 0.00 173.24 176.45 1xs3 h PRO 50 N 2.00 0.00 -0.74 4.02 0.13 -1.90 -3.27 132.00 132.24 1xs3 h PRO 50 Ca -0.21 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.05 1xs3 h PRO 50 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 1xs3 h PRO 50 CO 0.24 0.04 -0.33 0.00 -0.23 0.00 0.00 178.00 177.72 1xs3 h ALA 51 N 1.96 0.09 -0.08 -0.56 0.00 -1.96 0.48 119.26 119.19 1xs3 h ALA 51 Ca -0.00 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xs3 h ALA 51 Cb 0.52 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1xs3 h ALA 51 CO 0.01 -0.63 0.07 1.19 0.00 0.00 0.00 179.25 179.89 1xs3 n PHE 52 N -5.46 0.25 -1.65 0.00 3.01 -1.23 -4.93 117.46 107.45 1xs3 n PHE 52 Ca 0.07 -1.07 -0.50 0.00 1.01 0.00 0.00 57.45 56.95 1xs3 n PHE 52 Cb 0.38 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 39.26 1xs3 n PHE 52 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1xs3 n VAL 53 N 1.17 0.12 0.00 -4.37 3.14 0.17 -3.74 118.33 114.82 1xs3 n VAL 53 Ca 0.05 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1xs3 n VAL 53 Cb 0.52 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 1xs3 n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xs3 n GLY 54 N 3.30 0.89 3.28 7.55 0.00 -1.26 -4.63 105.19 114.33 1xs3 n GLY 54 Ca 0.20 0.46 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 1xs3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs3 s LYS 55 N 0.00 1.80 -0.56 1.61 0.00 -1.25 -5.03 119.74 116.31 1xs3 s LYS 55 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 55.97 54.90 1xs3 s LYS 55 Cb 0.00 -1.82 0.13 0.00 0.00 0.00 0.00 37.83 36.15 1xs3 s LYS 55 CO 0.00 0.49 0.53 0.00 0.00 0.00 0.00 175.35 176.37 1xs3 s ALA 56 N -0.64 3.67 0.91 0.59 0.00 -1.26 -4.77 121.76 120.26 1xs3 s ALA 56 Ca 0.09 -2.58 -0.12 0.00 0.00 0.00 0.00 51.96 49.36 1xs3 s ALA 56 Cb -0.09 -3.30 0.14 0.00 0.00 0.00 0.00 23.12 19.86 1xs3 s ALA 56 CO 0.00 -2.06 1.09 -1.25 0.00 0.00 0.00 175.76 173.54 1xs3 s PRO 57 N 1.56 1.12 0.61 0.00 0.04 -1.26 -4.75 135.00 132.33 1xs3 s PRO 57 Ca 0.05 0.77 0.30 0.00 0.04 0.00 0.00 61.00 62.16 1xs3 s PRO 57 Cb -0.28 -1.80 1.63 0.00 0.04 0.00 0.00 34.50 34.09 1xs3 s PRO 57 CO 0.02 -2.32 2.00 1.25 0.04 0.00 0.00 177.00 177.99 1xs3 h LEU 58 N -1.60 0.00 0.16 -3.56 6.46 -1.98 -1.39 115.31 113.40 1xs3 h LEU 58 Ca -0.50 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.25 1xs3 h LEU 58 Cb 1.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1xs3 h LEU 58 CO 0.55 0.00 -0.08 0.00 -0.62 0.00 0.00 178.44 178.29 1xs3 h ALA 59 N 1.57 -0.21 -0.18 1.25 0.00 -1.99 0.85 119.26 120.54 1xs3 h ALA 59 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1xs3 h ALA 59 Cb 0.75 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xs3 h ALA 59 CO -0.00 -0.58 -0.62 0.00 0.00 0.00 0.00 179.25 178.04 1xs3 h ARG 60 N -0.28 0.64 -0.00 0.00 2.47 -1.62 -0.67 114.38 114.91 1xs3 h ARG 60 Ca -0.02 -0.45 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1xs3 h ARG 60 Cb 0.22 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1xs3 h ARG 60 CO 0.04 1.06 0.00 1.25 0.56 0.00 0.00 179.97 182.88 1xs3 h HIS 61 N 0.47 0.00 -0.34 3.04 2.76 -1.28 -1.62 115.15 118.18 1xs3 h HIS 61 Ca -0.01 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1xs3 h HIS 61 Cb 1.20 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 1xs3 h HIS 61 CO 0.06 0.07 -0.45 0.00 -1.30 0.00 0.00 177.93 176.31 1xs3 h ARG 62 N -0.07 0.91 -0.21 5.26 3.08 -0.87 -2.13 114.38 120.35 1xs3 h ARG 62 Ca 0.00 -0.52 0.05 0.00 0.07 0.00 0.00 59.98 59.58 1xs3 h ARG 62 Cb 0.07 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1xs3 h ARG 62 CO -0.00 1.16 -0.11 1.98 -1.07 0.00 0.00 179.97 181.94 1xs3 h MET 63 N 0.72 -0.08 -0.36 0.04 4.05 -1.00 -0.01 114.93 118.30 1xs3 h MET 63 Ca 0.04 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1xs3 h MET 63 Cb 1.05 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1xs3 h MET 63 CO 0.11 -0.05 0.01 -0.39 0.23 0.00 0.00 176.91 176.81 1xs3 h VAL 64 N -0.08 1.26 -0.99 -5.77 -1.51 -1.31 -0.83 116.25 107.01 1xs3 h VAL 64 Ca 0.11 -0.97 0.10 0.00 -1.23 0.00 0.00 66.70 64.72 1xs3 h VAL 64 Cb 0.26 1.18 -0.08 0.00 -2.13 0.00 0.00 31.29 30.51 1xs3 h VAL 64 CO -0.26 0.32 0.63 1.88 -1.23 0.00 0.00 177.57 178.91 1xs3 h TYR 65 N 0.45 1.15 -0.03 5.19 0.05 -0.96 0.53 116.97 123.34 1xs3 h TYR 65 Ca 0.10 0.03 -0.25 0.00 0.05 0.00 0.00 58.73 58.67 1xs3 h TYR 65 Cb 0.45 -0.37 0.01 0.00 1.01 0.00 0.00 36.73 37.84 1xs3 h TYR 65 CO 0.04 0.50 -0.96 0.00 -1.05 0.00 0.00 178.16 176.68 1xs3 h ALA 66 N 1.51 0.23 0.00 3.88 0.00 -0.85 0.13 119.26 124.16 1xs3 h ALA 66 Ca 0.47 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1xs3 h ALA 66 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xs3 h ALA 66 CO -0.24 0.71 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 1xs3 h THR 67 N 0.39 0.49 -0.02 0.00 1.03 -0.30 -1.56 112.91 112.94 1xs3 h THR 67 Ca -0.10 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 1xs3 h THR 67 Cb 1.60 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1xs3 h THR 67 CO 0.19 0.12 -0.12 0.00 -0.01 0.00 0.00 175.52 175.70 1xs3 n LEU 68 N -3.52 2.08 -1.35 0.00 -0.00 0.10 -4.67 117.00 109.64 1xs3 n LEU 68 Ca -0.01 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1xs3 n LEU 68 Cb 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1xs3 n LEU 68 CO 0.30 0.36 0.00 0.61 -0.00 0.00 0.00 177.39 178.65 1xs3 n GLY 69 N 1.31 0.26 0.08 1.47 0.00 -0.59 -4.94 105.19 102.77 1xs3 n GLY 69 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1xs3 n GLY 69 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xs3 h GLU 70 N 0.00 -0.15 -0.25 1.61 4.81 -0.91 -3.33 114.58 116.36 1xs3 h GLU 70 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xs3 h GLU 70 Cb 0.90 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1xs3 h GLU 70 CO 0.00 -0.10 0.00 -0.11 -0.73 0.00 0.00 179.01 178.07 1xs3 n LEU 71 N -3.32 1.31 0.11 1.64 7.94 -1.26 -1.64 117.00 121.77 1xs3 n LEU 71 Ca -0.02 -0.65 0.12 0.00 -1.11 0.00 0.00 56.01 54.34 1xs3 n LEU 71 Cb 0.06 -0.17 0.46 0.00 0.53 0.00 0.00 43.42 44.31 1xs3 n LEU 71 CO 0.05 0.32 0.85 0.23 -1.11 0.00 0.00 177.39 177.73 1xs3 n MET 72 N 0.21 0.18 0.00 1.96 2.81 -1.25 -4.35 117.12 116.68 1xs3 n MET 72 Ca 0.08 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1xs3 n MET 72 Cb 0.21 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1xs3 n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xs3 n GLY 73 N 0.30 0.07 0.00 3.03 0.00 -1.25 -4.85 105.19 102.49 1xs3 n GLY 73 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xs3 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs3 n GLY 74 N 0.05 0.18 3.73 -0.02 0.00 -1.18 -4.40 105.19 103.55 1xs3 n GLY 74 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1xs3 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs3 s ALA 75 N 0.00 3.86 0.31 4.61 0.00 -0.65 -4.47 121.76 125.42 1xs3 s ALA 75 Ca 0.00 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1xs3 s ALA 75 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1xs3 s ALA 75 CO 0.00 -0.96 0.13 0.42 0.00 0.00 0.00 175.76 175.35 1xs3 s ILE 76 N 0.66 3.35 0.53 0.00 1.09 -1.26 -4.97 121.20 120.60 1xs3 s ILE 76 Ca 0.70 -1.68 0.17 0.00 -1.10 0.00 0.00 60.65 58.74 1xs3 s ILE 76 Cb -0.49 -3.02 0.17 0.00 -1.06 0.00 0.00 42.46 38.06 1xs3 s ILE 76 CO 0.39 -0.25 1.48 -0.74 -0.10 0.00 0.00 174.94 175.72 1xs3 h HIS 77 N 1.59 0.00 0.00 3.97 -0.00 -2.01 -2.31 115.15 116.39 1xs3 h HIS 77 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 59.84 1xs3 h HIS 77 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 1xs3 h HIS 77 CO 0.62 0.00 -0.17 0.00 -0.00 0.00 0.00 177.93 178.39 1xs3 n ALA 78 N -1.68 4.95 -2.53 5.26 0.00 -1.26 -4.84 120.51 120.41 1xs3 n ALA 78 Ca -0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 1xs3 n ALA 78 Cb 0.57 -1.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 1xs3 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xs3 s LEU 79 N 0.00 2.91 -0.18 0.00 2.01 -0.87 -3.98 118.68 118.56 1xs3 s LEU 79 Ca 0.31 -0.31 0.01 0.00 0.01 0.00 0.00 54.13 54.14 1xs3 s LEU 79 Cb 0.15 -1.69 0.04 0.00 0.01 0.00 0.00 46.19 44.69 1xs3 s LEU 79 CO 0.00 0.25 -0.11 -1.10 1.01 0.00 0.00 176.35 176.40 1xs3 s GLN 80 N -1.59 2.05 0.00 1.70 -1.52 -1.20 -5.06 119.66 114.05 1xs3 s GLN 80 Ca 0.17 -0.75 0.07 0.00 -1.95 0.00 0.00 55.36 52.90 1xs3 s GLN 80 Cb -0.11 -2.31 -0.02 0.00 -0.22 0.00 0.00 33.01 30.35 1xs3 s GLN 80 CO 0.08 -0.38 -0.21 -1.17 -0.25 0.00 0.00 175.29 173.36 1xs3 s LEU 81 N 1.44 2.08 -0.15 2.90 2.96 -1.25 -0.36 118.68 126.29 1xs3 s LEU 81 Ca 0.00 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1xs3 s LEU 81 Cb -0.15 -1.06 0.05 0.00 0.50 0.00 0.00 46.19 45.53 1xs3 s LEU 81 CO -0.09 0.23 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.63 1xs3 s LYS 82 N -0.73 0.88 -0.30 1.98 3.01 -1.09 -5.02 119.74 118.47 1xs3 s LYS 82 Ca 0.08 -0.31 0.02 0.00 -1.01 0.00 0.00 55.97 54.75 1xs3 s LYS 82 Cb -0.08 -1.77 0.07 0.00 -1.01 0.00 0.00 37.83 35.05 1xs3 s LYS 82 CO 0.00 -0.48 -0.02 0.95 0.51 0.00 0.00 175.35 176.31 1xs3 s THR 83 N 1.82 2.44 0.13 2.17 -4.23 -1.25 -1.89 115.64 114.83 1xs3 s THR 83 Ca 0.01 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1xs3 s THR 83 Cb -0.15 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1xs3 s THR 83 CO -0.07 -0.27 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.92 1xs3 s LEU 84 N 1.07 2.41 0.81 4.79 1.02 -1.24 -4.91 118.68 122.64 1xs3 s LEU 84 Ca -0.01 -1.05 -0.11 0.00 0.02 0.00 0.00 54.13 52.97 1xs3 s LEU 84 Cb -0.20 -0.13 0.08 0.00 0.02 0.00 0.00 46.19 45.96 1xs3 s LEU 84 CO -0.05 -0.47 1.09 0.42 0.02 0.00 0.00 176.35 177.36 1xs3 s THR 85 N -3.57 3.08 0.02 5.49 -4.23 -1.25 -1.14 115.64 114.05 1xs3 s THR 85 Ca 0.16 0.35 0.32 0.00 -1.18 0.00 0.00 61.69 61.35 1xs3 s THR 85 Cb 0.05 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.29 1xs3 s THR 85 CO -0.01 -0.46 1.95 1.55 -0.54 0.00 0.00 174.62 177.11 1xs3 h PRO 86 N -1.20 0.00 -0.27 3.99 0.13 -1.87 -2.93 132.00 129.84 1xs3 h PRO 86 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1xs3 h PRO 86 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1xs3 h PRO 86 CO 0.56 0.00 -0.35 -0.44 -0.23 0.00 0.00 178.00 177.54 1xs3 h ASP 87 N 0.00 0.62 -0.55 1.44 3.32 -1.94 -3.01 116.42 116.31 1xs3 h ASP 87 Ca 0.00 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1xs3 h ASP 87 Cb 0.46 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1xs3 h ASP 87 CO 0.00 0.92 0.11 -0.33 -1.72 0.00 0.00 179.24 178.22 1xs3 h GLU 88 N 0.50 0.94 0.00 3.56 4.39 -1.90 -3.55 114.58 118.52 1xs3 h GLU 88 Ca 0.05 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xs3 h GLU 88 Cb 0.84 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1xs3 h GLU 88 CO 0.07 0.86 0.00 0.00 -1.16 0.00 0.00 179.01 178.78