#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 0.78 -0.23 0.03 1.70 -1.26 -5.11 118.95 114.86 1xs3 s ARG 11 Ca 0.00 -0.72 -0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1xs3 s ARG 11 Cb 0.00 -2.10 0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1xs3 s ARG 11 CO 0.00 -0.77 -0.10 0.15 -1.08 0.00 0.00 175.30 173.50 1xs3 s LYS 12 N 1.72 2.80 -0.29 3.89 3.01 -1.26 -5.08 119.74 124.54 1xs3 s LYS 12 Ca 0.02 -0.98 -0.10 0.00 -1.01 0.00 0.00 55.97 53.90 1xs3 s LYS 12 Cb -0.17 -2.87 0.12 0.00 -1.01 0.00 0.00 37.83 33.90 1xs3 s LYS 12 CO -0.15 -0.37 0.64 1.03 0.51 0.00 0.00 175.35 177.02 1xs3 s ARG 13 N 1.29 0.58 0.63 1.68 0.52 -1.26 -5.16 118.95 117.22 1xs3 s ARG 13 Ca 0.00 1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 56.47 1xs3 s ARG 13 Cb -0.16 0.80 -0.02 0.00 0.52 0.00 0.00 34.95 36.09 1xs3 s ARG 13 CO -0.07 -0.20 1.11 -1.25 0.02 0.00 0.00 175.30 174.92 1xs3 s PRO 14 N 2.78 2.96 0.66 3.54 0.04 -1.26 -5.05 135.00 138.67 1xs3 s PRO 14 Ca -0.06 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 1xs3 s PRO 14 Cb -0.11 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1xs3 s PRO 14 CO -0.19 -1.13 0.93 -0.51 0.04 0.00 0.00 177.00 176.14 1xs3 s LEU 15 N -4.56 3.03 0.00 -3.56 2.01 -1.26 -4.89 118.68 109.45 1xs3 s LEU 15 Ca 0.69 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.87 1xs3 s LEU 15 Cb -0.21 -2.67 0.00 0.00 0.01 0.00 0.00 46.19 43.32 1xs3 s LEU 15 CO 0.37 -1.55 0.99 -0.67 1.01 0.00 0.00 176.35 176.50 1xs3 n ASP 16 N -2.71 0.00 0.08 2.29 -0.08 -1.26 -0.76 116.55 114.10 1xs3 n ASP 16 Ca 0.10 0.99 0.20 0.00 -1.51 0.00 0.00 54.79 54.57 1xs3 n ASP 16 Cb 0.60 -0.49 0.74 0.00 2.34 0.00 0.00 41.12 44.32 1xs3 n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xs3 h ALA 17 N -1.76 2.15 -0.26 -1.67 0.00 -1.86 0.14 119.26 116.00 1xs3 h ALA 17 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1xs3 h ALA 17 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xs3 h ALA 17 CO 0.00 -0.65 -0.50 1.49 0.00 0.00 0.00 179.25 179.59 1xs3 h GLU 18 N 0.00 0.73 0.35 0.00 4.57 -1.68 -0.48 114.58 118.07 1xs3 h GLU 18 Ca 0.20 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1xs3 h GLU 18 Cb 1.07 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1xs3 h GLU 18 CO -0.00 1.05 -0.20 1.79 -1.18 0.00 0.00 179.01 180.47 1xs3 h THR 19 N 0.57 0.57 -0.13 0.32 1.35 0.14 0.88 112.91 116.63 1xs3 h THR 19 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.85 1xs3 h THR 19 Cb 1.06 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1xs3 h THR 19 CO 0.10 0.00 -0.07 0.16 -0.25 0.00 0.00 175.52 175.47 1xs3 h ILE 20 N -0.53 1.32 -0.31 6.82 3.07 -1.59 -0.99 117.51 125.31 1xs3 h ILE 20 Ca -0.04 -1.11 0.06 0.00 1.55 0.00 0.00 64.86 65.33 1xs3 h ILE 20 Cb 0.43 1.79 -0.06 0.00 -0.27 0.00 0.00 36.82 38.71 1xs3 h ILE 20 CO 0.05 0.32 -0.10 -0.09 -1.05 0.00 0.00 178.15 177.28 1xs3 h ARG 21 N -0.08 -0.04 -0.31 0.16 2.43 -1.05 -1.26 114.38 114.24 1xs3 h ARG 21 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1xs3 h ARG 21 Cb 0.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1xs3 h ARG 21 CO 0.02 -0.02 -0.20 1.57 -1.51 0.00 0.00 179.97 179.82 1xs3 h LYS 22 N -0.04 0.57 -0.24 0.20 2.10 -0.84 -1.09 116.57 117.24 1xs3 h LYS 22 Ca 0.15 -0.20 0.04 0.00 -2.00 0.00 0.00 60.65 58.64 1xs3 h LYS 22 Cb 0.27 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.52 1xs3 h LYS 22 CO -0.34 0.74 0.00 1.25 -2.00 0.00 0.00 179.45 179.11 1xs3 h LEU 23 N 0.51 -0.09 -0.14 7.07 7.12 -0.08 -0.21 115.31 129.49 1xs3 h LEU 23 Ca 0.08 0.05 -0.15 0.00 0.13 0.00 0.00 57.88 57.99 1xs3 h LEU 23 Cb 0.64 0.09 0.01 0.00 -0.53 0.00 0.00 40.66 40.86 1xs3 h LEU 23 CO 0.05 -0.01 -0.51 0.40 -0.13 0.00 0.00 178.44 178.23 1xs3 h ILE 24 N 0.08 1.34 -0.87 4.05 1.08 -1.20 -0.71 117.51 121.27 1xs3 h ILE 24 Ca 0.12 -1.79 0.13 0.00 -0.39 0.00 0.00 64.86 62.93 1xs3 h ILE 24 Cb 0.15 2.06 -0.07 0.00 -3.07 0.00 0.00 36.82 35.88 1xs3 h ILE 24 CO -0.19 0.55 0.56 -0.33 -0.69 0.00 0.00 178.15 178.05 1xs3 h GLU 25 N 0.24 0.70 0.17 2.37 4.39 -0.95 0.18 114.58 121.68 1xs3 h GLU 25 Ca -0.02 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.36 1xs3 h GLU 25 Cb 1.14 -0.16 0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1xs3 h GLU 25 CO 0.11 0.47 -1.32 0.77 -1.16 0.00 0.00 179.01 177.88 1xs3 h SER 26 N 0.72 0.55 -0.25 1.42 0.02 -1.02 -3.36 113.55 111.64 1xs3 h SER 26 Ca 0.43 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xs3 h SER 26 Cb 0.63 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1xs3 h SER 26 CO -0.19 1.61 0.16 1.23 -1.14 0.00 0.00 176.83 178.50 1xs3 h GLY 27 N 0.06 0.34 -1.56 -3.77 0.00 -0.54 -3.43 103.07 94.18 1xs3 h GLY 27 Ca -0.26 -0.13 -0.50 0.00 0.00 0.00 0.00 47.33 46.45 1xs3 h GLY 27 CO 0.15 0.13 0.38 1.08 0.00 0.00 0.00 176.54 178.28 1xs3 s LEU 28 N -10.17 3.37 -0.02 3.11 2.01 0.56 -5.01 118.68 112.52 1xs3 s LEU 28 Ca -0.13 1.66 -0.20 0.00 0.01 0.00 0.00 54.13 55.46 1xs3 s LEU 28 Cb 0.09 -4.51 -0.12 0.00 0.01 0.00 0.00 46.19 41.66 1xs3 s LEU 28 CO 0.70 -1.12 0.88 1.55 1.01 0.00 0.00 176.35 179.36 1xs3 h PRO 29 N 0.04 -0.57 0.00 1.29 0.13 -1.85 -3.41 132.00 127.64 1xs3 h PRO 29 Ca -0.45 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1xs3 h PRO 29 Cb 1.21 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1xs3 h PRO 29 CO 0.58 -0.30 -0.42 0.39 -0.23 0.00 0.00 178.00 178.02 1xs3 n GLU 30 N -5.18 0.33 -2.41 0.86 1.02 -1.26 -5.06 120.64 108.93 1xs3 n GLU 30 Ca -0.09 -1.47 -0.42 0.00 -0.02 0.00 0.00 57.16 55.16 1xs3 n GLU 30 Cb 0.27 -0.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1xs3 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xs3 s ALA 31 N -0.73 3.48 -0.41 0.62 0.00 -1.26 -4.88 121.76 118.58 1xs3 s ALA 31 Ca 0.10 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 1xs3 s ALA 31 Cb 0.10 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1xs3 s ALA 31 CO -0.00 -0.69 0.29 0.50 0.00 0.00 0.00 175.76 175.85 1xs3 s ARG 32 N 1.93 2.94 -0.09 0.00 6.06 0.33 -4.53 118.95 125.60 1xs3 s ARG 32 Ca 0.58 -1.05 0.02 0.00 -2.50 0.00 0.00 55.73 52.78 1xs3 s ARG 32 Cb -0.27 -3.95 -0.02 0.00 0.06 0.00 0.00 34.95 30.77 1xs3 s ARG 32 CO 0.25 -0.76 -0.14 0.08 -2.50 0.00 0.00 175.30 172.23 1xs3 s VAL 33 N 1.66 3.05 -0.09 7.11 1.01 -1.26 -0.75 120.40 131.13 1xs3 s VAL 33 Ca 0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1xs3 s VAL 33 Cb -0.19 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1xs3 s VAL 33 CO 0.09 0.56 0.00 -0.62 0.00 0.00 0.00 175.10 175.14 1xs3 s ASP 34 N -0.23 1.76 -0.08 3.32 -1.08 -0.03 -4.85 116.67 115.48 1xs3 s ASP 34 Ca 0.01 -0.18 0.04 0.00 -0.52 0.00 0.00 52.55 51.90 1xs3 s ASP 34 Cb -0.13 -0.47 -0.00 0.00 -1.46 0.00 0.00 42.92 40.86 1xs3 s ASP 34 CO 0.03 -0.20 -0.22 -0.69 0.52 0.00 0.00 175.17 174.60 1xs3 s VAL 35 N 1.95 1.90 -0.09 1.11 1.01 -1.26 -0.09 120.40 124.93 1xs3 s VAL 35 Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xs3 s VAL 35 Cb -0.13 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1xs3 s VAL 35 CO -0.06 0.53 -0.03 -1.10 0.00 0.00 0.00 175.10 174.44 1xs3 s GLN 36 N 0.27 1.02 0.00 2.72 -0.21 -0.04 -4.66 119.66 118.76 1xs3 s GLN 36 Ca -0.15 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1xs3 s GLN 36 Cb -0.17 -1.24 0.00 0.00 1.00 0.00 0.00 33.01 32.61 1xs3 s GLN 36 CO 0.07 -0.28 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1xs3 n GLY 37 N 5.02 0.77 3.36 3.09 0.00 -1.26 -1.46 105.19 114.71 1xs3 n GLY 37 Ca -0.10 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 1xs3 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs3 s GLU 38 N -2.00 1.70 0.38 1.61 2.02 -1.26 -4.33 118.70 116.82 1xs3 s GLU 38 Ca 0.00 -1.99 -0.24 0.00 0.02 0.00 0.00 54.97 52.76 1xs3 s GLU 38 Cb 0.00 -0.12 -0.10 0.00 0.10 0.00 0.00 34.13 34.01 1xs3 s GLU 38 CO 0.00 -0.50 0.98 0.16 0.02 0.00 0.00 175.26 175.92 1xs3 s ASP 39 N -3.43 7.05 -0.68 -0.19 -4.77 -1.26 -3.53 116.67 109.87 1xs3 s ASP 39 Ca 0.34 1.85 0.00 0.00 -3.30 0.00 0.00 52.55 51.44 1xs3 s ASP 39 Cb 0.04 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1xs3 s ASP 39 CO 0.19 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.39 1xs3 n GLY 40 N 0.15 0.87 3.25 2.12 0.00 -1.22 -4.81 105.19 105.54 1xs3 n GLY 40 Ca 0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1xs3 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xs3 s VAL 41 N -2.18 0.09 -0.47 1.61 0.11 -1.22 -4.73 120.40 113.62 1xs3 s VAL 41 Ca 0.00 -1.56 -0.28 0.00 -2.93 0.00 0.00 61.98 57.21 1xs3 s VAL 41 Cb 0.00 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1xs3 s VAL 41 CO 0.00 -0.43 1.41 -1.38 -3.33 0.00 0.00 175.10 171.37 1xs3 s HIS 42 N -3.98 2.36 0.37 1.54 -3.43 -1.26 -4.76 115.29 106.13 1xs3 s HIS 42 Ca 0.17 0.61 0.08 0.00 -0.80 0.00 0.00 55.06 55.12 1xs3 s HIS 42 Cb 0.05 -4.34 -0.05 0.00 -1.43 0.00 0.00 32.58 26.80 1xs3 s HIS 42 CO -0.01 -1.96 0.09 -0.59 -2.00 0.00 0.00 174.74 170.27 1xs3 s PHE 43 N 5.70 2.59 -0.14 0.38 -0.12 -1.26 -4.86 117.98 120.27 1xs3 s PHE 43 Ca 0.58 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 1xs3 s PHE 43 Cb -0.12 -1.70 -0.00 0.00 -0.63 0.00 0.00 43.02 40.56 1xs3 s PHE 43 CO 0.30 0.35 -0.16 -1.21 -0.05 0.00 0.00 175.22 174.45 1xs3 s GLU 44 N -3.80 3.21 -0.09 1.99 2.02 -0.54 -3.00 118.70 118.50 1xs3 s GLU 44 Ca 0.37 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1xs3 s GLU 44 Cb 0.02 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1xs3 s GLU 44 CO 0.21 0.07 -0.11 0.00 0.02 0.00 0.00 175.26 175.45 1xs3 s ALA 45 N 0.68 1.37 -0.24 5.21 0.00 0.38 -0.86 121.76 128.29 1xs3 s ALA 45 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1xs3 s ALA 45 Cb -0.16 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.27 1xs3 s ALA 45 CO 0.02 -0.12 -0.11 0.99 0.00 0.00 0.00 175.76 176.54 1xs3 s THR 46 N 1.12 2.02 -0.08 0.00 2.01 0.87 -3.42 115.64 118.16 1xs3 s THR 46 Ca -0.06 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 60.49 1xs3 s THR 46 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1xs3 s THR 46 CO -0.02 0.02 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.14 1xs3 s VAL 47 N 1.18 3.40 -0.06 3.82 1.01 -1.05 -0.85 120.40 127.86 1xs3 s VAL 47 Ca -0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1xs3 s VAL 47 Cb -0.19 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1xs3 s VAL 47 CO -0.06 0.58 0.01 0.54 0.00 0.00 0.00 175.10 176.16 1xs3 s VAL 48 N -0.55 0.31 0.02 2.92 0.11 0.07 -3.71 120.40 119.57 1xs3 s VAL 48 Ca 0.08 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.98 1xs3 s VAL 48 Cb -0.12 -0.46 0.10 0.00 -1.53 0.00 0.00 36.38 34.37 1xs3 s VAL 48 CO 0.02 0.24 1.06 -0.94 -3.33 0.00 0.00 175.10 172.14 1xs3 s SER 49 N 1.81 -0.19 0.52 3.54 1.04 -0.61 -0.51 113.70 119.30 1xs3 s SER 49 Ca 0.02 -0.18 0.31 0.00 0.48 0.00 0.00 55.95 56.58 1xs3 s SER 49 Cb -0.13 0.33 1.28 0.00 0.10 0.00 0.00 66.02 67.61 1xs3 s SER 49 CO -0.04 -0.58 1.96 1.55 0.98 0.00 0.00 173.24 177.10 1xs3 h PRO 50 N 2.00 0.00 -0.79 4.02 0.13 -1.89 -3.21 132.00 132.25 1xs3 h PRO 50 Ca -0.23 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1xs3 h PRO 50 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1xs3 h PRO 50 CO 0.27 0.08 0.11 0.00 -0.23 0.00 0.00 178.00 178.24 1xs3 h ALA 51 N 1.92 0.97 -0.24 -0.56 0.00 -1.95 0.45 119.26 119.85 1xs3 h ALA 51 Ca -0.00 0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1xs3 h ALA 51 Cb 0.55 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1xs3 h ALA 51 CO 0.01 -0.42 0.18 1.19 0.00 0.00 0.00 179.25 180.22 1xs3 n PHE 52 N -5.27 0.75 -1.64 0.00 3.01 -1.21 -4.86 117.46 108.24 1xs3 n PHE 52 Ca 0.16 -1.16 -0.47 0.00 1.01 0.00 0.00 57.45 57.00 1xs3 n PHE 52 Cb 0.54 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 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 0.53 0.77 0.00 -4.37 3.14 0.16 -3.83 118.33 114.72 1xs3 n VAL 53 Ca 0.15 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1xs3 n VAL 53 Cb 0.65 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 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 2.27 0.59 3.07 7.55 0.00 -1.26 -4.38 105.19 113.04 1xs3 n GLY 54 Ca 0.14 0.58 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 1xs3 n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xs3 s LYS 55 N 0.00 2.42 -0.31 1.61 2.36 -1.26 -5.01 119.74 119.55 1xs3 s LYS 55 Ca 0.00 -1.13 -0.29 0.00 -2.55 0.00 0.00 55.97 52.00 1xs3 s LYS 55 Cb 0.00 -2.74 -0.07 0.00 -1.05 0.00 0.00 37.83 33.98 1xs3 s LYS 55 CO 0.00 -0.45 2.27 0.00 1.55 0.00 0.00 175.35 178.72 1xs3 n ALA 56 N 4.52 1.46 -1.21 3.13 0.00 -1.25 -4.94 120.51 122.22 1xs3 n ALA 56 Ca -0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1xs3 n ALA 56 Cb 0.45 -2.92 0.14 0.00 0.00 0.00 0.00 19.45 17.11 1xs3 n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xs3 s PRO 57 N 6.80 1.30 0.59 0.00 0.04 -1.26 -4.81 135.00 137.66 1xs3 s PRO 57 Ca 1.02 0.83 0.29 0.00 0.04 0.00 0.00 61.00 63.18 1xs3 s PRO 57 Cb -0.39 -1.81 1.78 0.00 0.04 0.00 0.00 34.50 34.11 1xs3 s PRO 57 CO 0.36 -2.21 2.24 1.25 0.04 0.00 0.00 177.00 178.67 1xs3 h LEU 58 N -1.53 0.00 0.21 -3.56 6.46 -1.99 -2.01 115.31 112.89 1xs3 h LEU 58 Ca -0.49 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1xs3 h LEU 58 Cb 1.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1xs3 h LEU 58 CO 0.55 0.00 -0.10 0.00 -0.62 0.00 0.00 178.44 178.27 1xs3 h ALA 59 N 1.98 -0.28 -0.35 1.25 0.00 -1.99 0.42 119.26 120.30 1xs3 h ALA 59 Ca 0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1xs3 h ALA 59 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xs3 h ALA 59 CO -0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 179.25 178.29 1xs3 h ARG 60 N -0.34 0.85 0.25 0.00 2.47 -1.81 -0.60 114.38 115.20 1xs3 h ARG 60 Ca -0.03 -0.44 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1xs3 h ARG 60 Cb 0.26 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1xs3 h ARG 60 CO 0.05 1.08 -0.19 1.25 0.56 0.00 0.00 179.97 182.72 1xs3 h HIS 61 N 0.64 -0.49 -0.41 3.04 2.76 -1.31 -1.39 115.15 118.00 1xs3 h HIS 61 Ca 0.06 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 1xs3 h HIS 61 Cb 0.92 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 1xs3 h HIS 61 CO 0.07 -0.29 -0.12 0.00 -1.30 0.00 0.00 177.93 176.29 1xs3 h ARG 62 N -0.44 0.74 -0.37 5.26 3.08 -0.95 -2.04 114.38 119.66 1xs3 h ARG 62 Ca -0.02 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 59.83 1xs3 h ARG 62 Cb 0.39 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1xs3 h ARG 62 CO -0.00 0.83 0.13 0.52 -1.07 0.00 0.00 179.97 180.38 1xs3 h MET 63 N 0.67 0.27 -0.42 0.04 2.86 -0.80 0.10 114.93 117.65 1xs3 h MET 63 Ca 0.11 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1xs3 h MET 63 Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1xs3 h MET 63 CO 0.04 0.18 -0.26 -0.39 1.06 0.00 0.00 176.91 177.54 1xs3 h VAL 64 N 0.28 1.28 -0.53 -2.22 -1.51 -1.14 -1.22 116.25 111.19 1xs3 h VAL 64 Ca 0.17 -1.42 -0.02 0.00 -1.23 0.00 0.00 66.70 64.20 1xs3 h VAL 64 Cb 0.15 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 1xs3 h VAL 64 CO -0.18 0.48 0.23 1.88 -1.23 0.00 0.00 177.57 178.75 1xs3 h TYR 65 N 0.73 0.76 -0.01 5.19 0.05 -0.92 -0.17 116.97 122.59 1xs3 h TYR 65 Ca 0.09 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1xs3 h TYR 65 Cb 0.84 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 38.35 1xs3 h TYR 65 CO 0.06 0.58 -0.31 0.00 -1.05 0.00 0.00 178.16 177.43 1xs3 h ALA 66 N 1.50 0.06 -0.30 3.88 0.00 -0.69 -2.58 119.26 121.13 1xs3 h ALA 66 Ca 0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xs3 h ALA 66 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xs3 h ALA 66 CO -0.02 0.14 0.10 0.00 0.00 0.00 0.00 179.25 179.47 1xs3 h THR 67 N -0.37 1.13 -0.00 0.00 1.03 -1.05 -0.54 112.91 113.11 1xs3 h THR 67 Ca -0.03 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1xs3 h THR 67 Cb 1.03 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 1xs3 h THR 67 CO 0.06 0.15 -0.14 0.18 -0.01 0.00 0.00 175.52 175.77 1xs3 n LEU 68 N -4.40 0.39 -2.62 0.00 4.32 -0.09 -4.76 117.00 109.84 1xs3 n LEU 68 Ca 0.01 0.09 -0.14 0.00 -0.02 0.00 0.00 56.01 55.95 1xs3 n LEU 68 Cb 0.14 -0.24 0.01 0.00 -1.62 0.00 0.00 43.42 41.71 1xs3 n LEU 68 CO 0.36 0.08 -0.29 0.61 -1.22 0.00 0.00 177.39 176.93 1xs3 n GLY 69 N 1.34 0.07 0.11 -0.72 0.00 -0.21 -4.90 105.19 100.88 1xs3 n GLY 69 Ca 0.12 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 1xs3 n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xs3 n GLU 70 N 0.51 0.68 -0.09 1.61 0.00 -1.24 -4.16 120.64 117.95 1xs3 n GLU 70 Ca -0.03 0.15 0.09 0.00 0.00 0.00 0.00 57.16 57.37 1xs3 n GLU 70 Cb 0.43 -1.61 0.33 0.00 0.00 0.00 0.00 31.44 30.58 1xs3 n GLU 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1xs3 n LEU 71 N -3.11 1.42 0.02 -1.84 -0.00 -1.26 -2.64 117.00 109.58 1xs3 n LEU 71 Ca -0.34 -0.63 0.09 0.00 -0.00 0.00 0.00 56.01 55.13 1xs3 n LEU 71 Cb 1.06 -0.12 0.38 0.00 -0.00 0.00 0.00 43.42 44.75 1xs3 n LEU 71 CO 0.38 0.32 0.79 0.80 -0.00 0.00 0.00 177.39 179.67 1xs3 n MET 72 N 0.19 0.03 0.00 1.47 1.56 -1.26 -4.17 117.12 114.94 1xs3 n MET 72 Ca 0.14 0.23 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 1xs3 n MET 72 Cb 0.27 -1.55 0.00 0.00 2.15 0.00 0.00 33.22 34.09 1xs3 n MET 72 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1xs3 n GLY 73 N 0.28 0.03 0.00 -5.12 0.00 -1.25 -4.98 105.19 94.15 1xs3 n GLY 73 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.32 -0.63 3.67 -0.02 0.00 -1.18 -4.48 105.19 102.87 1xs3 n GLY 74 Ca 0.00 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 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 3.52 0.33 4.61 0.00 -1.08 -3.37 121.76 125.77 1xs3 s ALA 75 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.07 1xs3 s ALA 75 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1xs3 s ALA 75 CO 0.00 -0.66 0.07 0.42 0.00 0.00 0.00 175.76 175.59 1xs3 s ILE 76 N 2.18 2.95 0.00 0.00 1.09 -1.26 -5.00 121.20 121.15 1xs3 s ILE 76 Ca 0.38 -1.83 -0.00 0.00 -1.10 0.00 0.00 60.65 58.10 1xs3 s ILE 76 Cb -0.16 -2.89 -0.01 0.00 -1.06 0.00 0.00 42.46 38.34 1xs3 s ILE 76 CO 0.12 -0.22 1.78 1.57 -0.10 0.00 0.00 174.94 178.09 1xs3 n HIS 77 N -1.04 0.00 -2.49 3.97 -0.00 -1.26 -3.68 115.22 110.73 1xs3 n HIS 77 Ca -0.04 -0.88 -0.04 0.00 0.46 0.00 0.00 57.72 57.23 1xs3 n HIS 77 Cb 0.61 -0.50 0.05 0.00 -0.12 0.00 0.00 29.99 30.03 1xs3 n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xs3 n ALA 78 N 1.61 3.13 -2.75 1.57 0.00 -1.26 -5.08 120.51 117.73 1xs3 n ALA 78 Ca 0.02 -2.93 -0.37 0.00 0.00 0.00 0.00 53.44 50.16 1xs3 n ALA 78 Cb 0.44 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.90 4.42 -0.23 0.00 2.01 -1.24 -4.05 118.68 116.68 1xs3 s LEU 79 Ca 0.34 0.64 -0.00 0.00 0.01 0.00 0.00 54.13 55.12 1xs3 s LEU 79 Cb 0.36 -2.30 0.03 0.00 0.01 0.00 0.00 46.19 44.29 1xs3 s LEU 79 CO -0.05 0.37 -0.10 -1.10 1.01 0.00 0.00 176.35 176.47 1xs3 s GLN 80 N -1.12 2.80 -0.02 1.70 -1.52 -1.16 -5.04 119.66 115.30 1xs3 s GLN 80 Ca 0.19 -0.99 0.03 0.00 -1.95 0.00 0.00 55.36 52.65 1xs3 s GLN 80 Cb -0.14 -2.87 -0.01 0.00 -0.22 0.00 0.00 33.01 29.78 1xs3 s GLN 80 CO 0.08 -0.37 -0.12 -1.17 -0.25 0.00 0.00 175.29 173.46 1xs3 s LEU 81 N 1.29 1.96 -0.13 2.90 2.96 -1.25 -0.47 118.68 125.94 1xs3 s LEU 81 Ca 0.00 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1xs3 s LEU 81 Cb -0.16 -0.64 0.04 0.00 0.50 0.00 0.00 46.19 45.94 1xs3 s LEU 81 CO -0.07 0.13 0.03 -0.54 -1.32 0.00 0.00 176.35 174.59 1xs3 s LYS 82 N -0.15 0.47 -0.35 1.98 3.01 -1.22 -5.04 119.74 118.44 1xs3 s LYS 82 Ca 0.02 -0.09 -0.04 0.00 -1.01 0.00 0.00 55.97 54.86 1xs3 s LYS 82 Cb -0.06 -1.48 0.07 0.00 -1.01 0.00 0.00 37.83 35.35 1xs3 s LYS 82 CO -0.00 -0.49 0.11 0.95 0.51 0.00 0.00 175.35 176.44 1xs3 s THR 83 N 1.98 3.42 0.15 2.17 -4.23 -1.26 -2.53 115.64 115.34 1xs3 s THR 83 Ca 0.02 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1xs3 s THR 83 Cb -0.15 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 1xs3 s THR 83 CO -0.07 -0.34 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.87 1xs3 s LEU 84 N 1.28 2.36 0.85 4.79 1.43 -1.24 -4.81 118.68 123.33 1xs3 s LEU 84 Ca 0.00 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1xs3 s LEU 84 Cb -0.21 -0.18 0.10 0.00 0.03 0.00 0.00 46.19 45.93 1xs3 s LEU 84 CO -0.01 -0.46 1.09 0.42 0.23 0.00 0.00 176.35 177.63 1xs3 s THR 85 N -3.51 2.87 -0.83 5.49 -4.23 -1.25 -1.58 115.64 112.60 1xs3 s THR 85 Ca 0.19 0.28 0.17 0.00 -1.18 0.00 0.00 61.69 61.16 1xs3 s THR 85 Cb 0.05 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.18 1xs3 s THR 85 CO 0.01 -0.37 1.54 -0.81 -0.54 0.00 0.00 174.62 174.45 1xs3 n PRO 86 N -3.68 0.06 0.10 3.99 -0.04 -1.25 -2.22 135.00 131.96 1xs3 n PRO 86 Ca 0.07 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.90 1xs3 n PRO 86 Cb 0.55 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1xs3 n PRO 86 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xs3 h ASP 87 N 0.00 0.00 -0.85 3.54 2.03 -1.94 -3.33 116.42 115.87 1xs3 h ASP 87 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1xs3 h ASP 87 Cb 0.28 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.46 1xs3 h ASP 87 CO 0.00 0.31 0.20 -1.84 -1.03 0.00 0.00 179.24 176.87 1xs3 n GLU 88 N -2.93 2.90 0.00 4.15 0.28 -0.94 -5.26 120.64 118.83 1xs3 n GLU 88 Ca -0.02 -3.56 0.07 0.00 -0.16 0.00 0.00 57.16 53.48 1xs3 n GLU 88 Cb 0.69 -2.23 0.06 0.00 1.43 0.00 0.00 31.44 31.38 1xs3 n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97