#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl2 s GLN 2 N 0.00 3.73 -0.16 0.54 0.74 -1.26 -5.10 119.66 118.15 1xl2 s GLN 2 Ca 0.00 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 54.96 1xl2 s GLN 2 Cb 0.00 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 31.01 1xl2 s GLN 2 CO 0.00 0.10 -0.19 0.42 -0.55 0.00 0.00 175.29 175.07 1xl2 s ILE 3 N 0.79 1.96 0.67 -2.34 1.01 -1.26 -5.13 121.20 116.90 1xl2 s ILE 3 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1xl2 s ILE 3 Cb -0.14 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.62 1xl2 s ILE 3 CO 0.02 0.53 0.97 0.42 0.00 0.00 0.00 174.94 176.87 1xl2 s THR 4 N 1.17 2.35 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.41 1xl2 s THR 4 Ca 0.01 -0.35 0.16 0.00 -1.18 0.00 0.00 61.69 60.33 1xl2 s THR 4 Cb -0.14 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.03 1xl2 s THR 4 CO -0.09 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.34 1xl2 n LEU 5 N -2.80 2.43 0.25 4.79 4.77 -1.26 -4.59 117.00 120.59 1xl2 n LEU 5 Ca 0.08 -3.33 0.15 0.00 -0.03 0.00 0.00 56.01 52.89 1xl2 n LEU 5 Cb 0.60 -0.46 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 1xl2 n LEU 5 CO 0.51 0.93 0.92 -0.50 -1.33 0.00 0.00 177.39 177.92 1xl2 h TRP 6 N 0.33 0.00 -2.16 -1.77 6.55 -2.07 -3.43 115.95 113.40 1xl2 h TRP 6 Ca -0.00 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 59.26 1xl2 h TRP 6 Cb 1.01 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.17 1xl2 h TRP 6 CO 0.25 0.00 -0.67 1.14 -1.05 0.00 0.00 178.44 178.11 1xl2 s GLN 7 N -3.48 1.75 0.25 0.49 -2.07 -1.26 -5.11 119.66 110.22 1xl2 s GLN 7 Ca 0.04 -1.91 -0.31 0.00 -1.82 0.00 0.00 55.36 51.36 1xl2 s GLN 7 Cb 0.07 -1.51 -0.13 0.00 -1.09 0.00 0.00 33.01 30.36 1xl2 s GLN 7 CO 0.59 0.08 1.54 0.54 -1.32 0.00 0.00 175.29 176.73 1xl2 n ARG 8 N -0.74 2.40 -1.46 9.60 1.74 -1.26 -4.84 116.66 122.09 1xl2 n ARG 8 Ca -0.05 0.86 -0.41 0.00 -0.77 0.00 0.00 57.85 57.48 1xl2 n ARG 8 Cb 0.64 -2.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 1xl2 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xl2 n PRO 9 N 2.52 2.54 -2.87 5.56 -0.04 -1.26 -4.92 135.00 136.52 1xl2 n PRO 9 Ca 0.12 -2.27 -0.41 0.00 -0.04 0.00 0.00 63.50 60.90 1xl2 n PRO 9 Cb 0.33 -3.07 -0.04 0.00 -0.04 0.00 0.00 33.50 30.68 1xl2 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl2 s LEU 10 N 1.53 4.34 0.18 1.53 1.43 -1.26 -1.56 118.68 124.87 1xl2 s LEU 10 Ca 0.52 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1xl2 s LEU 10 Cb 0.14 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1xl2 s LEU 10 CO -0.03 -0.20 -0.08 0.68 0.23 0.00 0.00 176.35 176.96 1xl2 s VAL 11 N 0.95 1.22 -0.01 -1.59 -7.23 0.02 -4.92 120.40 108.84 1xl2 s VAL 11 Ca 0.45 -2.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 1xl2 s VAL 11 Cb -0.19 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1xl2 s VAL 11 CO 0.23 -0.61 0.90 -0.89 -0.31 0.00 0.00 175.10 174.41 1xl2 s THR 12 N -3.30 4.89 0.18 5.32 2.01 -1.26 -0.82 115.64 122.66 1xl2 s THR 12 Ca 0.21 1.88 0.10 0.00 0.31 0.00 0.00 61.69 64.19 1xl2 s THR 12 Cb 0.03 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1xl2 s THR 12 CO 0.04 0.20 -0.17 0.27 -0.69 0.00 0.00 174.62 174.27 1xl2 s ILE 13 N 0.84 2.79 -0.18 1.82 -4.36 0.45 -2.74 121.20 119.83 1xl2 s ILE 13 Ca 0.47 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1xl2 s ILE 13 Cb -0.20 -2.36 0.02 0.00 1.25 0.00 0.00 42.46 41.17 1xl2 s ILE 13 CO 0.25 -0.10 -0.19 -0.75 0.24 0.00 0.00 174.94 174.39 1xl2 s LYS 14 N -2.72 2.93 -0.08 0.37 2.20 -0.15 -1.19 119.74 121.09 1xl2 s LYS 14 Ca 0.23 -0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1xl2 s LYS 14 Cb -0.08 -2.52 0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1xl2 s LYS 14 CO 0.12 -0.21 0.18 -1.50 -0.36 0.00 0.00 175.35 173.59 1xl2 s ILE 15 N 1.30 -0.04 -1.44 5.43 2.07 -0.42 -1.19 121.20 126.90 1xl2 s ILE 15 Ca 0.05 0.16 -0.09 0.00 -1.41 0.00 0.00 60.65 59.36 1xl2 s ILE 15 Cb -0.13 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.22 1xl2 s ILE 15 CO -0.13 0.07 0.70 0.61 -1.91 0.00 0.00 174.94 174.28 1xl2 n GLY 16 N 4.17 -0.51 2.92 1.50 0.00 -1.26 -1.29 105.19 110.73 1xl2 n GLY 16 Ca -0.26 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xl2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl2 n GLY 17 N -1.48 0.49 3.65 -0.02 0.00 -1.26 -5.01 105.19 101.55 1xl2 n GLY 17 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1xl2 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xl2 s GLN 18 N -0.54 2.88 -0.07 1.61 -1.52 -0.41 -5.11 119.66 116.51 1xl2 s GLN 18 Ca 0.00 -0.47 -0.20 0.00 -1.95 0.00 0.00 55.36 52.74 1xl2 s GLN 18 Cb 0.00 -2.71 -0.05 0.00 -0.22 0.00 0.00 33.01 30.03 1xl2 s GLN 18 CO 0.00 0.68 0.55 -0.51 -0.25 0.00 0.00 175.29 175.77 1xl2 s LEU 19 N -0.91 4.34 0.09 2.90 1.43 -1.26 -1.30 118.68 123.97 1xl2 s LEU 19 Ca 0.13 1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1xl2 s LEU 19 Cb -0.11 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1xl2 s LEU 19 CO 0.03 0.03 -0.01 -0.54 0.23 0.00 0.00 176.35 176.08 1xl2 s LYS 20 N 0.31 0.78 -0.15 1.70 1.02 -0.34 -4.99 119.74 118.07 1xl2 s LYS 20 Ca 0.30 -1.33 -0.07 0.00 0.02 0.00 0.00 55.97 54.88 1xl2 s LYS 20 Cb -0.17 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1xl2 s LYS 20 CO 0.14 -0.13 0.11 -1.21 -0.92 0.00 0.00 175.35 173.34 1xl2 s GLU 21 N -3.94 3.68 0.05 1.68 0.41 -1.26 -0.41 118.70 118.91 1xl2 s GLU 21 Ca 0.14 -0.21 -0.04 0.00 -0.41 0.00 0.00 54.97 54.44 1xl2 s GLU 21 Cb 0.07 -3.22 -0.02 0.00 -1.78 0.00 0.00 34.13 29.18 1xl2 s GLU 21 CO -0.05 0.57 0.06 0.00 -0.49 0.00 0.00 175.26 175.35 1xl2 s ALA 22 N -0.43 0.13 -0.17 5.21 0.00 -0.00 -4.56 121.76 121.94 1xl2 s ALA 22 Ca 0.11 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1xl2 s ALA 22 Cb -0.12 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1xl2 s ALA 22 CO 0.02 -0.38 0.34 -1.17 0.00 0.00 0.00 175.76 174.56 1xl2 s LEU 23 N -2.59 4.22 -0.43 0.00 2.96 0.95 -0.80 118.68 123.00 1xl2 s LEU 23 Ca 0.02 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 1xl2 s LEU 23 Cb 0.04 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1xl2 s LEU 23 CO -0.08 0.04 1.14 -0.76 -1.32 0.00 0.00 176.35 175.37 1xl2 s LEU 24 N 0.72 3.71 -0.40 -0.68 1.43 -0.60 -0.77 118.68 122.09 1xl2 s LEU 24 Ca 0.18 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1xl2 s LEU 24 Cb -0.14 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.65 1xl2 s LEU 24 CO 0.06 -1.17 0.16 -0.62 0.23 0.00 0.00 176.35 175.01 1xl2 s ASP 25 N 2.34 4.21 0.38 2.29 -1.08 -0.55 -4.79 116.67 119.47 1xl2 s ASP 25 Ca 0.48 -2.37 0.28 0.00 -0.52 0.00 0.00 52.55 50.41 1xl2 s ASP 25 Cb -0.09 -1.31 1.29 0.00 -1.46 0.00 0.00 42.92 41.35 1xl2 s ASP 25 CO 0.28 -0.32 1.83 0.71 0.52 0.00 0.00 175.17 178.18 1xl2 h THR 26 N 5.97 0.00 -0.00 1.71 1.35 -1.93 -1.86 112.91 118.14 1xl2 h THR 26 Ca -0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xl2 h THR 26 Cb 0.96 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1xl2 h THR 26 CO 0.54 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 176.25 1xl2 n GLY 27 N -0.49 -1.23 3.68 5.82 0.00 -1.26 -4.81 105.19 106.91 1xl2 n GLY 27 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1xl2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl2 s ALA 28 N -2.80 3.58 0.23 4.61 0.00 -0.70 -4.97 121.76 121.71 1xl2 s ALA 28 Ca 0.19 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1xl2 s ALA 28 Cb 0.19 -2.49 0.25 0.00 0.00 0.00 0.00 23.12 21.07 1xl2 s ALA 28 CO 0.55 -0.17 1.60 -0.44 0.00 0.00 0.00 175.76 177.30 1xl2 h ASP 29 N 7.22 0.49 -3.10 0.00 3.32 -1.87 0.26 116.42 122.74 1xl2 h ASP 29 Ca -0.38 -0.23 -0.59 0.00 0.02 0.00 0.00 57.03 55.85 1xl2 h ASP 29 Cb 1.16 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.40 1xl2 h ASP 29 CO 0.71 0.87 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.51 1xl2 s ASP 30 N -6.87 3.17 -0.12 6.45 1.01 -1.26 -2.54 116.67 116.51 1xl2 s ASP 30 Ca -0.06 -0.91 -0.22 0.00 0.71 0.00 0.00 52.55 52.06 1xl2 s ASP 30 Cb 0.12 -0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.80 1xl2 s ASP 30 CO 0.81 0.04 0.68 -0.89 0.21 0.00 0.00 175.17 176.02 1xl2 s THR 31 N -2.05 5.03 -0.07 -1.27 2.01 -1.26 -3.68 115.64 114.35 1xl2 s THR 31 Ca 0.21 1.36 -0.01 0.00 0.31 0.00 0.00 61.69 63.56 1xl2 s THR 31 Cb -0.06 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.47 1xl2 s THR 31 CO 0.10 0.20 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.51 1xl2 s VAL 32 N 1.22 0.54 0.19 3.82 1.01 -0.59 -1.68 120.40 124.91 1xl2 s VAL 32 Ca 0.34 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1xl2 s VAL 32 Cb -0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1xl2 s VAL 32 CO 0.15 0.27 -0.13 -0.76 0.00 0.00 0.00 175.10 174.64 1xl2 s LEU 33 N 1.69 2.85 0.83 3.92 1.43 0.32 -1.14 118.68 128.59 1xl2 s LEU 33 Ca 0.02 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 1xl2 s LEU 33 Cb -0.13 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.64 1xl2 s LEU 33 CO -0.05 0.10 1.19 -0.62 0.23 0.00 0.00 176.35 177.21 1xl2 n GLU 34 N 0.05 0.08 -1.60 1.70 1.02 -1.26 -1.21 120.64 119.42 1xl2 n GLU 34 Ca -0.11 0.11 -0.60 0.00 -0.02 0.00 0.00 57.16 56.54 1xl2 n GLU 34 Cb 0.56 -2.42 -0.08 0.00 -0.02 0.00 0.00 31.44 29.47 1xl2 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xl2 n GLU 35 N -3.41 0.35 -3.51 3.49 4.07 -1.25 -4.63 120.64 115.74 1xl2 n GLU 35 Ca 0.13 0.13 -0.11 0.00 -0.06 0.00 0.00 57.16 57.25 1xl2 n GLU 35 Cb 0.51 -1.67 -0.02 0.00 -0.06 0.00 0.00 31.44 30.19 1xl2 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xl2 s MET 36 N 1.26 1.38 -0.00 5.31 0.23 -1.26 -5.05 119.30 121.17 1xl2 s MET 36 Ca 0.94 -0.58 -0.19 0.00 -1.03 0.00 0.00 55.69 54.84 1xl2 s MET 36 Cb -1.25 0.59 -0.06 0.00 -1.53 0.00 0.00 34.83 32.59 1xl2 s MET 36 CO 0.62 -0.61 0.54 -1.12 -2.03 0.00 0.00 175.02 172.42 1xl2 s SER 37 N -2.78 6.92 0.10 -1.18 0.01 -1.26 -5.05 113.70 110.46 1xl2 s SER 37 Ca 0.03 1.10 0.05 0.00 1.31 0.00 0.00 55.95 58.44 1xl2 s SER 37 Cb -0.02 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1xl2 s SER 37 CO -0.09 0.17 -0.12 -0.76 0.41 0.00 0.00 173.24 172.85 1xl2 s LEU 38 N -0.45 2.38 0.58 2.44 1.43 -1.26 -5.01 118.68 118.79 1xl2 s LEU 38 Ca 0.28 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1xl2 s LEU 38 Cb -0.18 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1xl2 s LEU 38 CO 0.16 -0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.45 1xl2 s PRO 39 N -2.53 3.35 0.40 1.29 0.04 -1.26 -4.93 135.00 131.35 1xl2 s PRO 39 Ca 0.05 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1xl2 s PRO 39 Cb -0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xl2 s PRO 39 CO 0.01 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1xl2 n GLY 40 N -0.88 -2.37 3.79 0.56 0.00 -1.26 -4.93 105.19 100.09 1xl2 n GLY 40 Ca 0.09 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1xl2 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl2 s ARG 41 N -0.39 3.71 0.08 1.61 0.52 -1.26 -5.07 118.95 118.13 1xl2 s ARG 41 Ca 0.00 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 56.62 1xl2 s ARG 41 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 1xl2 s ARG 41 CO 0.00 -0.52 -0.06 1.67 0.02 0.00 0.00 175.30 176.42 1xl2 s TRP 42 N -1.95 0.74 0.02 -0.53 1.48 -1.26 -4.46 118.94 112.98 1xl2 s TRP 42 Ca 0.68 -0.90 0.05 0.00 -1.06 0.00 0.00 56.10 54.88 1xl2 s TRP 42 Cb -0.18 -0.45 -0.02 0.00 -1.16 0.00 0.00 33.47 31.66 1xl2 s TRP 42 CO 0.22 -0.21 -0.15 0.21 -4.06 0.00 0.00 176.95 172.95 1xl2 s LYS 43 N -3.51 1.09 0.41 3.25 2.20 -0.67 -4.93 119.74 117.59 1xl2 s LYS 43 Ca 0.07 -0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 54.70 1xl2 s LYS 43 Cb 0.04 -1.11 -0.08 0.00 -1.51 0.00 0.00 37.83 35.17 1xl2 s LYS 43 CO -0.05 0.28 1.30 -2.14 -0.36 0.00 0.00 175.35 174.38 1xl2 s PRO 44 N -0.91 3.93 -0.05 4.03 0.02 -1.26 -0.38 135.00 140.37 1xl2 s PRO 44 Ca 0.04 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.13 1xl2 s PRO 44 Cb -0.07 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.74 1xl2 s PRO 44 CO 0.01 -0.52 0.16 0.21 -0.33 0.00 0.00 177.00 176.53 1xl2 s LYS 45 N -2.29 0.24 -0.16 5.54 2.20 -0.64 -4.84 119.74 119.80 1xl2 s LYS 45 Ca 0.58 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 1xl2 s LYS 45 Cb -0.38 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 1xl2 s LYS 45 CO 0.48 -0.04 0.01 -1.64 -0.36 0.00 0.00 175.35 173.80 1xl2 s MET 46 N -0.13 3.72 0.10 4.03 -1.94 -1.26 -0.45 119.30 123.37 1xl2 s MET 46 Ca -0.02 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 1xl2 s MET 46 Cb -0.02 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 1xl2 s MET 46 CO 0.00 0.32 -0.21 0.96 -0.01 0.00 0.00 175.02 176.08 1xl2 s ILE 47 N 0.20 1.69 0.31 2.53 -4.36 -0.11 -4.90 121.20 116.57 1xl2 s ILE 47 Ca 0.01 -1.50 -0.27 0.00 -0.26 0.00 0.00 60.65 58.62 1xl2 s ILE 47 Cb -0.13 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.95 1xl2 s ILE 47 CO 0.02 -0.04 1.04 -0.83 0.24 0.00 0.00 174.94 175.37 1xl2 s GLY 48 N -1.83 2.94 0.05 6.27 0.00 -1.26 -1.02 107.32 112.47 1xl2 s GLY 48 Ca 0.06 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.53 1xl2 s GLY 48 CO 0.04 1.27 0.05 0.61 0.00 0.00 0.00 173.10 175.07 1xl2 n GLY 49 N 0.91 3.54 3.67 0.20 0.00 0.25 -4.87 105.19 108.89 1xl2 n GLY 49 Ca 0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1xl2 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xl2 s ILE 50 N -2.30 3.65 0.00 -0.61 1.09 -1.26 -2.34 121.20 119.43 1xl2 s ILE 50 Ca 0.05 0.90 0.00 0.00 -1.10 0.00 0.00 60.65 60.50 1xl2 s ILE 50 Cb 0.00 -3.58 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1xl2 s ILE 50 CO 0.04 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.44 1xl2 n GLY 51 N 3.91 0.52 0.00 6.18 0.00 -1.26 -4.89 105.19 109.64 1xl2 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xl2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl2 n GLY 52 N -2.26 -0.12 3.89 -0.02 0.00 -0.99 -5.12 105.19 100.57 1xl2 n GLY 52 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1xl2 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xl2 s PHE 53 N -1.32 3.59 0.01 1.61 0.40 -1.26 -0.58 117.98 120.42 1xl2 s PHE 53 Ca 0.00 1.06 0.04 0.00 -0.60 0.00 0.00 56.93 57.43 1xl2 s PHE 53 Cb 0.00 -2.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1xl2 s PHE 53 CO 0.00 -0.46 -0.13 0.42 0.70 0.00 0.00 175.22 175.76 1xl2 s ILE 54 N -2.92 0.99 0.10 0.64 -1.09 -0.19 -4.85 121.20 113.89 1xl2 s ILE 54 Ca 0.51 -0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 1xl2 s ILE 54 Cb -0.11 -0.87 -0.06 0.00 -1.58 0.00 0.00 42.46 39.85 1xl2 s ILE 54 CO 0.48 0.12 0.96 -0.75 -1.23 0.00 0.00 174.94 174.52 1xl2 s LYS 55 N -0.72 4.69 0.22 2.79 2.20 -1.26 -0.93 119.74 126.73 1xl2 s LYS 55 Ca 0.03 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1xl2 s LYS 55 Cb -0.06 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1xl2 s LYS 55 CO 0.00 0.19 0.11 0.14 -0.36 0.00 0.00 175.35 175.44 1xl2 s VAL 56 N 0.07 0.27 -0.20 4.02 -7.23 0.40 -4.64 120.40 113.09 1xl2 s VAL 56 Ca 0.47 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1xl2 s VAL 56 Cb -0.23 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1xl2 s VAL 56 CO 0.30 -0.02 0.09 -0.13 -0.31 0.00 0.00 175.10 175.03 1xl2 s ARG 57 N -4.10 3.99 -0.29 4.82 0.52 -0.12 -1.62 118.95 122.16 1xl2 s ARG 57 Ca 0.38 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.15 1xl2 s ARG 57 Cb 0.07 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1xl2 s ARG 57 CO 0.12 0.19 0.20 -1.14 0.02 0.00 0.00 175.30 174.69 1xl2 s GLN 58 N 0.63 3.87 -0.20 3.54 0.74 0.49 -0.91 119.66 127.82 1xl2 s GLN 58 Ca 0.05 -0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.03 1xl2 s GLN 58 Cb -0.13 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1xl2 s GLN 58 CO 0.01 -0.23 -0.00 0.71 -0.55 0.00 0.00 175.29 175.23 1xl2 s TYR 59 N 1.75 3.04 0.20 1.67 1.51 -0.52 -1.66 117.35 123.34 1xl2 s TYR 59 Ca 0.07 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1xl2 s TYR 59 Cb -0.16 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1xl2 s TYR 59 CO 0.11 -0.22 0.31 -0.51 -1.11 0.00 0.00 175.55 174.13 1xl2 s ASP 60 N 0.94 6.25 -1.22 2.29 1.01 -1.26 -0.92 116.67 123.75 1xl2 s ASP 60 Ca 0.01 0.08 -0.15 0.00 0.71 0.00 0.00 52.55 53.20 1xl2 s ASP 60 Cb -0.14 -1.84 -0.00 0.00 1.01 0.00 0.00 42.92 41.95 1xl2 s ASP 60 CO 0.02 -0.01 0.68 0.00 0.21 0.00 0.00 175.17 176.07 1xl2 n GLN 61 N -1.01 -1.91 -3.99 8.23 6.02 -1.08 -4.88 117.38 118.76 1xl2 n GLN 61 Ca -0.08 0.43 -0.35 0.00 -0.01 0.00 0.00 57.00 56.99 1xl2 n GLN 61 Cb 0.56 -4.20 -0.09 0.00 1.02 0.00 0.00 30.24 27.53 1xl2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xl2 s ILE 62 N -3.61 4.91 0.06 5.09 -1.09 -0.18 -4.72 121.20 121.66 1xl2 s ILE 62 Ca 0.33 0.00 -0.31 0.00 -2.23 0.00 0.00 60.65 58.44 1xl2 s ILE 62 Cb -0.12 -3.19 -0.06 0.00 -1.58 0.00 0.00 42.46 37.51 1xl2 s ILE 62 CO 0.87 0.49 1.21 -0.22 -1.23 0.00 0.00 174.94 176.06 1xl2 s LEU 63 N 0.07 4.37 -0.02 2.97 2.96 -1.26 -1.35 118.68 126.41 1xl2 s LEU 63 Ca 0.06 2.02 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1xl2 s LEU 63 Cb -0.12 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1xl2 s LEU 63 CO 0.00 -0.48 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.91 1xl2 s ILE 64 N 1.09 0.23 -0.26 6.68 1.01 0.28 -4.49 121.20 125.74 1xl2 s ILE 64 Ca 0.59 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 1xl2 s ILE 64 Cb -0.30 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1xl2 s ILE 64 CO 0.29 0.14 0.07 -1.61 0.00 0.00 0.00 174.94 173.82 1xl2 s GLU 65 N 0.76 3.44 -0.31 2.79 2.02 -0.33 -0.53 118.70 126.54 1xl2 s GLU 65 Ca -0.08 -0.62 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 1xl2 s GLU 65 Cb -0.11 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.84 1xl2 s GLU 65 CO -0.01 -0.28 0.05 0.42 0.02 0.00 0.00 175.26 175.46 1xl2 s ILE 66 N 1.57 3.42 -1.39 -1.63 1.01 0.66 -0.98 121.20 123.86 1xl2 s ILE 66 Ca 0.05 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1xl2 s ILE 66 Cb -0.16 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1xl2 s ILE 66 CO 0.03 -0.08 0.60 0.00 0.00 0.00 0.00 174.94 175.48 1xl2 n GLY 68 N -1.33 0.96 3.60 0.00 0.00 -1.26 -5.02 105.19 102.14 1xl2 n GLY 68 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1xl2 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xl2 s HIS 69 N -3.53 3.19 0.10 1.61 4.02 0.40 -5.09 115.29 115.98 1xl2 s HIS 69 Ca 0.00 -0.03 -0.29 0.00 1.02 0.00 0.00 55.06 55.76 1xl2 s HIS 69 Cb 0.00 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.58 29.48 1xl2 s HIS 69 CO 0.00 0.12 0.94 0.15 1.02 0.00 0.00 174.74 176.97 1xl2 s LYS 70 N 0.29 4.67 0.06 1.40 3.01 -1.26 -0.25 119.74 127.66 1xl2 s LYS 70 Ca 0.01 1.41 0.03 0.00 -1.01 0.00 0.00 55.97 56.41 1xl2 s LYS 70 Cb -0.13 -3.38 -0.03 0.00 -1.01 0.00 0.00 37.83 33.28 1xl2 s LYS 70 CO 0.01 0.21 -0.09 0.00 0.51 0.00 0.00 175.35 175.99 1xl2 s ALA 71 N 0.04 0.76 -0.14 5.17 0.00 0.31 -4.69 121.76 123.21 1xl2 s ALA 71 Ca 0.46 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1xl2 s ALA 71 Cb -0.23 0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.98 1xl2 s ALA 71 CO 0.29 -0.01 0.10 0.42 0.00 0.00 0.00 175.76 176.56 1xl2 s ILE 72 N -1.67 -0.12 0.00 0.00 1.01 -1.26 -0.56 121.20 118.61 1xl2 s ILE 72 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1xl2 s ILE 72 Cb -0.08 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1xl2 s ILE 72 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1xl2 n GLY 73 N 5.29 1.31 3.72 6.18 0.00 -0.45 -4.79 105.19 116.44 1xl2 n GLY 73 Ca -0.06 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1xl2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl2 s THR 74 N -2.42 4.38 -0.11 2.61 2.01 -1.26 -1.01 115.64 119.84 1xl2 s THR 74 Ca 0.00 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.79 1xl2 s THR 74 Cb 0.00 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.39 1xl2 s THR 74 CO 0.00 0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 1xl2 s VAL 75 N 0.79 1.62 0.01 3.82 1.01 -0.10 -4.58 120.40 122.96 1xl2 s VAL 75 Ca 0.54 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1xl2 s VAL 75 Cb -0.26 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1xl2 s VAL 75 CO 0.29 0.46 0.30 -0.76 0.00 0.00 0.00 175.10 175.39 1xl2 s LEU 76 N 0.85 4.38 -0.12 3.92 1.43 -0.67 -1.43 118.68 127.03 1xl2 s LEU 76 Ca -0.09 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1xl2 s LEU 76 Cb -0.15 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1xl2 s LEU 76 CO 0.00 0.26 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 1xl2 s VAL 77 N -1.28 1.65 -0.01 -1.59 1.01 -0.09 -0.52 120.40 119.57 1xl2 s VAL 77 Ca 0.27 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1xl2 s VAL 77 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1xl2 s VAL 77 CO 0.15 0.47 0.15 0.61 0.00 0.00 0.00 175.10 176.49 1xl2 n GLY 78 N 4.14 0.40 2.64 4.51 0.00 -0.35 -0.94 105.19 115.59 1xl2 n GLY 78 Ca -0.19 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1xl2 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl2 n PRO 79 N -0.11 2.90 -3.26 1.61 -0.04 -1.26 -3.97 135.00 130.87 1xl2 n PRO 79 Ca 0.01 -2.32 -0.36 0.00 -0.04 0.00 0.00 63.50 60.78 1xl2 n PRO 79 Cb 0.07 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 1xl2 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xl2 s THR 80 N 3.11 4.74 0.39 0.52 -1.32 -1.26 -4.98 115.64 116.84 1xl2 s THR 80 Ca 0.54 1.06 0.07 0.00 -1.21 0.00 0.00 61.69 62.16 1xl2 s THR 80 Cb 0.15 -3.82 0.29 0.00 -1.51 0.00 0.00 72.50 67.61 1xl2 s THR 80 CO -0.05 0.32 1.99 -0.65 -2.21 0.00 0.00 174.62 174.02 1xl2 h PRO 81 N 3.79 0.63 -3.38 7.08 0.11 -1.97 -3.44 132.00 134.82 1xl2 h PRO 81 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 1xl2 h PRO 81 Cb 1.20 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 32.00 1xl2 h PRO 81 CO 0.65 0.42 -0.27 0.54 -0.21 0.00 0.00 178.00 179.13 1xl2 s VAL 82 N -5.58 0.09 0.05 3.15 0.11 -1.26 -5.12 120.40 111.85 1xl2 s VAL 82 Ca -0.09 -0.74 -0.33 0.00 -2.93 0.00 0.00 61.98 57.89 1xl2 s VAL 82 Cb 0.19 -0.98 -0.11 0.00 -1.53 0.00 0.00 36.38 33.94 1xl2 s VAL 82 CO 0.76 -0.41 1.82 0.59 -3.33 0.00 0.00 175.10 174.52 1xl2 n ASN 83 N 0.49 3.68 -4.14 3.54 3.02 -1.26 -4.83 115.26 115.75 1xl2 n ASN 83 Ca -0.18 0.99 -0.27 0.00 -0.03 0.00 0.00 54.58 55.09 1xl2 n ASN 83 Cb 0.60 -1.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.14 1xl2 n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1xl2 s ILE 84 N 2.98 1.50 -0.38 2.41 -4.36 -0.29 -0.03 121.20 123.02 1xl2 s ILE 84 Ca 0.85 -0.75 -0.14 0.00 -0.26 0.00 0.00 60.65 60.36 1xl2 s ILE 84 Cb -0.58 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 41.85 1xl2 s ILE 84 CO 0.42 0.43 0.27 -0.63 0.24 0.00 0.00 174.94 175.67 1xl2 s ILE 85 N 0.06 5.14 0.20 8.37 -1.09 0.05 -1.54 121.20 132.39 1xl2 s ILE 85 Ca -0.05 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 1xl2 s ILE 85 Cb -0.12 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1xl2 s ILE 85 CO 0.03 -0.20 0.26 0.61 -1.23 0.00 0.00 174.94 174.40 1xl2 n GLY 86 N 5.12 2.09 0.27 6.18 0.00 -1.24 -1.48 105.19 116.12 1xl2 n GLY 86 Ca -0.12 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 43.86 1xl2 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xl2 h ARG 87 N 0.00 0.00 -0.56 1.61 3.08 -0.88 -0.81 114.38 116.82 1xl2 h ARG 87 Ca -0.10 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1xl2 h ARG 87 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1xl2 h ARG 87 CO 0.14 0.10 0.37 -2.95 -1.07 0.00 0.00 179.97 176.56 1xl2 h ASN 88 N 0.00 0.59 0.05 7.04 -1.07 -1.76 -1.46 115.58 118.98 1xl2 h ASN 88 Ca -0.00 -0.01 -0.31 0.00 0.07 0.00 0.00 56.30 56.05 1xl2 h ASN 88 Cb 0.31 -0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.36 1xl2 h ASN 88 CO 0.01 0.41 -2.26 0.18 0.07 0.00 0.00 177.43 175.84 1xl2 n LEU 89 N -4.46 0.08 -0.07 6.14 4.77 -0.82 -4.08 117.00 118.57 1xl2 n LEU 89 Ca 0.06 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1xl2 n LEU 89 Cb 0.10 0.40 0.35 0.00 -2.33 0.00 0.00 43.42 41.94 1xl2 n LEU 89 CO 0.35 0.41 1.16 -0.07 -1.33 0.00 0.00 177.39 177.91 1xl2 h LEU 90 N 0.00 0.60 -0.87 2.23 3.38 -1.03 -1.38 115.31 118.24 1xl2 h LEU 90 Ca -0.45 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 1xl2 h LEU 90 Cb 2.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1xl2 h LEU 90 CO 0.03 0.46 -0.10 0.71 0.09 0.00 0.00 178.44 179.63 1xl2 h THR 91 N 0.69 1.25 -0.38 0.22 1.35 -1.45 -1.62 112.91 112.97 1xl2 h THR 91 Ca 0.18 -1.13 -0.04 0.00 -0.55 0.00 0.00 66.41 64.87 1xl2 h THR 91 Cb -0.03 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 1xl2 h THR 91 CO -0.03 0.38 0.06 1.56 -0.25 0.00 0.00 175.52 177.24 1xl2 h GLN 92 N 0.66 0.58 -0.22 4.72 4.20 -1.42 -2.27 115.11 121.37 1xl2 h GLN 92 Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xl2 h GLN 92 Cb 0.56 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1xl2 h GLN 92 CO 0.03 0.56 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 1xl2 n ILE 93 N -4.30 0.28 -1.35 2.54 -5.35 -0.89 -4.93 119.36 105.36 1xl2 n ILE 93 Ca 0.02 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1xl2 n ILE 93 Cb 0.22 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1xl2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl2 n GLY 94 N 1.04 0.59 3.74 3.28 0.00 -0.85 -5.04 105.19 107.95 1xl2 n GLY 94 Ca 0.13 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1xl2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl2 s THR 96 N -0.33 0.43 -0.09 0.00 -4.23 -1.26 -4.74 115.64 105.42 1xl2 s THR 96 Ca 0.47 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1xl2 s THR 96 Cb -0.26 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1xl2 s THR 96 CO 0.32 -0.43 0.20 -0.76 -0.54 0.00 0.00 174.62 173.41 1xl2 s LEU 97 N -3.14 4.41 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.79 1xl2 s LEU 97 Ca 0.25 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1xl2 s LEU 97 Cb 0.07 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1xl2 s LEU 97 CO 0.04 0.39 0.05 0.20 0.23 0.00 0.00 176.35 177.26 1xl2 s ASN 98 N -1.04 -0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.63 1xl2 s ASN 98 Ca 0.17 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1xl2 s ASN 98 Cb -0.13 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1xl2 s ASN 98 CO 0.06 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.81