#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixo s GLN 2 N 0.00 2.99 -0.04 0.54 0.74 -1.26 -5.11 119.66 117.51 3ixo s GLN 2 Ca 0.00 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.01 3ixo s GLN 2 Cb 0.00 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 31.34 3ixo s GLN 2 CO 0.00 0.69 -0.08 0.42 -0.55 0.00 0.00 175.29 175.78 3ixo s ILE 3 N -0.85 0.74 0.79 -2.34 1.01 -1.26 -5.15 121.20 114.14 3ixo s ILE 3 Ca 0.13 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 3ixo s ILE 3 Cb -0.11 -0.71 0.17 0.00 0.01 0.00 0.00 42.46 41.82 3ixo s ILE 3 CO 0.02 0.26 1.08 0.35 0.00 0.00 0.00 174.94 176.65 3ixo n THR 4 N 3.74 0.00 -1.65 2.92 -2.24 -1.26 -5.04 114.28 110.74 3ixo n THR 4 Ca -0.23 -1.26 0.06 0.00 -2.27 0.00 0.00 64.05 60.36 3ixo n THR 4 Cb 0.52 -1.18 0.17 0.00 -2.10 0.00 0.00 70.33 67.74 3ixo n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ixo n LEU 5 N 0.00 2.36 0.24 3.22 4.77 -1.26 -4.64 117.00 121.69 3ixo n LEU 5 Ca 0.16 -3.47 0.13 0.00 -0.03 0.00 0.00 56.01 52.80 3ixo n LEU 5 Cb 0.55 -0.43 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 3ixo n LEU 5 CO 0.39 1.16 0.86 -0.50 -1.33 0.00 0.00 177.39 177.97 3ixo h TRP 6 N 0.83 0.00 -2.41 -1.77 4.06 -2.07 -3.44 115.95 111.15 3ixo h TRP 6 Ca -0.03 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.39 3ixo h TRP 6 Cb 1.13 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.15 3ixo h TRP 6 CO 0.56 0.07 -0.61 -0.65 -3.56 0.00 0.00 178.44 174.24 3ixo s GLN 7 N -3.43 1.75 0.17 0.49 -1.52 -1.26 -5.10 119.66 110.75 3ixo s GLN 7 Ca 0.04 -1.97 -0.30 0.00 -1.95 0.00 0.00 55.36 51.17 3ixo s GLN 7 Cb 0.07 -1.18 -0.09 0.00 -0.22 0.00 0.00 33.01 31.60 3ixo s GLN 7 CO 0.62 -0.11 1.35 1.03 -0.25 0.00 0.00 175.29 177.93 3ixo s ARG 8 N -3.81 4.35 -1.06 2.91 0.52 -1.26 -4.88 118.95 115.73 3ixo s ARG 8 Ca 0.35 2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 57.45 3ixo s ARG 8 Cb 0.09 -3.21 -0.08 0.00 0.52 0.00 0.00 34.95 32.27 3ixo s ARG 8 CO 0.16 -0.34 2.03 -0.35 0.02 0.00 0.00 175.30 176.83 3ixo n PRO 9 N 3.11 2.05 -3.13 3.54 -0.04 -1.26 -4.92 135.00 134.35 3ixo n PRO 9 Ca 0.08 -2.19 -0.39 0.00 -0.04 0.00 0.00 63.50 60.96 3ixo n PRO 9 Cb 0.42 -3.10 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 3ixo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ixo s LEU 10 N 1.99 4.32 0.27 1.53 1.43 -1.26 -1.46 118.68 125.50 3ixo s LEU 10 Ca 0.54 1.09 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 3ixo s LEU 10 Cb 0.13 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 3ixo s LEU 10 CO 0.04 -0.06 -0.09 0.68 0.23 0.00 0.00 176.35 177.14 3ixo s VAL 11 N 0.66 1.76 -0.17 -1.59 -7.23 0.96 -4.92 120.40 109.87 3ixo s VAL 11 Ca 0.34 -2.17 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 3ixo s VAL 11 Cb -0.17 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3ixo s VAL 11 CO 0.16 -0.37 0.28 -0.89 -0.31 0.00 0.00 175.10 173.97 3ixo s THR 12 N -2.94 5.32 -0.01 5.32 2.01 -1.26 -0.56 115.64 123.51 3ixo s THR 12 Ca 0.28 0.51 0.07 0.00 0.31 0.00 0.00 61.69 62.86 3ixo s THR 12 Cb 0.02 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 3ixo s THR 12 CO 0.11 0.39 -0.21 0.54 -0.69 0.00 0.00 174.62 174.76 3ixo s VAL 13 N 0.49 1.64 -0.28 3.82 0.11 0.94 -1.40 120.40 125.71 3ixo s VAL 13 Ca 0.16 -0.94 -0.06 0.00 -2.93 0.00 0.00 61.98 58.21 3ixo s VAL 13 Cb -0.13 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 3ixo s VAL 13 CO 0.03 0.42 0.05 -0.75 -3.33 0.00 0.00 175.10 171.52 3ixo s LYS 14 N -0.60 3.09 0.02 1.54 2.20 -0.30 -1.00 119.74 124.68 3ixo s LYS 14 Ca 0.08 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3ixo s LYS 14 Cb -0.08 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3ixo s LYS 14 CO -0.00 -0.41 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.04 3ixo s ILE 15 N 1.47 0.25 -1.26 5.43 2.07 0.33 -1.66 121.20 127.84 3ixo s ILE 15 Ca 0.02 -0.65 -0.10 0.00 -1.41 0.00 0.00 60.65 58.52 3ixo s ILE 15 Cb -0.17 -0.32 0.09 0.00 0.13 0.00 0.00 42.46 42.19 3ixo s ILE 15 CO 0.01 -0.26 0.47 0.61 -1.91 0.00 0.00 174.94 173.86 3ixo n GLY 16 N 2.11 -0.48 2.68 1.50 0.00 -1.26 0.98 105.19 110.72 3ixo n GLY 16 Ca -0.19 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 3ixo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixo n GLY 17 N -1.11 0.16 3.55 -0.02 0.00 -1.26 -4.97 105.19 101.53 3ixo n GLY 17 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3ixo n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ixo s GLN 18 N -1.37 1.95 0.01 1.61 -0.21 0.28 -5.13 119.66 116.80 3ixo s GLN 18 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.36 53.85 3ixo s GLN 18 Cb 0.00 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 3ixo s GLN 18 CO 0.00 0.37 0.07 -0.51 -2.12 0.00 0.00 175.29 173.09 3ixo s LEU 19 N -3.37 3.82 0.08 2.90 1.43 -1.26 -0.51 118.68 121.76 3ixo s LEU 19 Ca 0.29 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 3ixo s LEU 19 Cb -0.06 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.93 3ixo s LEU 19 CO 0.16 0.25 0.48 -0.13 0.23 0.00 0.00 176.35 177.35 3ixo s ARG 20 N -1.83 1.05 -0.17 1.70 1.81 -0.17 -4.98 118.95 116.35 3ixo s ARG 20 Ca 0.23 -0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 53.80 3ixo s ARG 20 Cb -0.12 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.82 3ixo s ARG 20 CO 0.15 -0.39 0.03 -1.21 -0.68 0.00 0.00 175.30 173.19 3ixo s GLU 21 N -2.89 3.86 0.21 3.54 2.02 -1.26 -0.04 118.70 124.14 3ixo s GLU 21 Ca -0.03 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.57 3ixo s GLU 21 Cb -0.00 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 3ixo s GLU 21 CO -0.05 0.26 0.05 0.00 0.02 0.00 0.00 175.26 175.53 3ixo s ALA 22 N 0.37 1.47 -0.13 5.21 0.00 0.27 -4.48 121.76 124.47 3ixo s ALA 22 Ca 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.19 3ixo s ALA 22 Cb -0.13 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 3ixo s ALA 22 CO 0.01 -0.39 0.13 -1.17 0.00 0.00 0.00 175.76 174.34 3ixo s LEU 23 N -3.22 4.29 -0.66 0.00 2.96 0.82 -0.03 118.68 122.85 3ixo s LEU 23 Ca 0.30 0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 54.37 3ixo s LEU 23 Cb 0.07 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.76 3ixo s LEU 23 CO 0.08 0.36 1.05 -0.76 -1.32 0.00 0.00 176.35 175.76 3ixo s LEU 24 N -0.74 4.00 -0.64 -0.68 1.43 -0.53 -0.07 118.68 121.45 3ixo s LEU 24 Ca 0.13 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 3ixo s LEU 24 Cb -0.12 -2.54 0.17 0.00 0.03 0.00 0.00 46.19 43.72 3ixo s LEU 24 CO 0.03 -1.51 0.53 -0.62 0.23 0.00 0.00 176.35 175.01 3ixo s ASP 25 N 3.54 6.00 0.28 2.29 -1.08 -0.38 -4.82 116.67 122.50 3ixo s ASP 25 Ca 0.27 -2.41 0.23 0.00 -0.52 0.00 0.00 52.55 50.13 3ixo s ASP 25 Cb -0.14 -2.06 1.04 0.00 -1.46 0.00 0.00 42.92 40.30 3ixo s ASP 25 CO 0.13 -0.59 1.71 0.35 0.52 0.00 0.00 175.17 177.30 3ixo n THR 26 N 4.26 0.87 1.09 1.71 -2.24 -1.26 -2.13 114.28 116.57 3ixo n THR 26 Ca 0.03 0.35 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 3ixo n THR 26 Cb 0.42 -1.30 0.21 0.00 -2.10 0.00 0.00 70.33 67.56 3ixo n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixo n GLY 27 N -0.30 -0.84 3.68 3.38 0.00 -1.26 -4.85 105.19 105.00 3ixo n GLY 27 Ca 0.01 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3ixo n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixo s ALA 28 N -2.76 3.58 0.07 4.61 0.00 -0.91 -4.96 121.76 121.39 3ixo s ALA 28 Ca 0.16 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 3ixo s ALA 28 Cb 0.18 -2.50 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 3ixo s ALA 28 CO 0.64 -0.19 1.35 -0.44 0.00 0.00 0.00 175.76 177.12 3ixo h ASP 29 N 7.27 0.64 -1.79 0.00 5.19 -1.89 -0.56 116.42 125.28 3ixo h ASP 29 Ca -0.38 -0.53 -0.45 0.00 -0.62 0.00 0.00 57.03 55.05 3ixo h ASP 29 Cb 1.16 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 3ixo h ASP 29 CO 0.71 1.05 -0.36 -1.81 -3.12 0.00 0.00 179.24 175.70 3ixo s ASP 30 N -6.51 5.80 -0.31 6.45 1.01 -1.26 -2.94 116.67 118.90 3ixo s ASP 30 Ca -0.13 -0.27 -0.08 0.00 0.71 0.00 0.00 52.55 52.78 3ixo s ASP 30 Cb 0.07 -1.15 0.01 0.00 1.01 0.00 0.00 42.92 42.86 3ixo s ASP 30 CO 0.81 -0.43 0.12 -0.89 0.21 0.00 0.00 175.17 175.00 3ixo s THR 31 N -2.21 4.26 -0.07 -1.27 2.01 -1.26 -3.20 115.64 113.89 3ixo s THR 31 Ca 0.44 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.84 3ixo s THR 31 Cb -0.09 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 3ixo s THR 31 CO 0.30 0.02 -0.21 0.54 -0.69 0.00 0.00 174.62 174.58 3ixo s VAL 32 N 1.54 1.77 0.09 3.82 0.11 -0.62 -1.24 120.40 125.87 3ixo s VAL 32 Ca 0.03 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.29 3ixo s VAL 32 Cb -0.18 -1.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 3ixo s VAL 32 CO 0.04 0.50 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.34 3ixo s LEU 33 N 0.21 2.26 1.19 2.54 1.43 -0.64 -0.04 118.68 125.63 3ixo s LEU 33 Ca -0.11 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3ixo s LEU 33 Cb -0.15 -0.95 0.24 0.00 0.03 0.00 0.00 46.19 45.36 3ixo s LEU 33 CO 0.05 0.10 0.66 -0.62 0.23 0.00 0.00 176.35 176.77 3ixo n GLU 34 N 1.31 -2.41 -1.67 1.70 1.02 -1.26 -3.14 120.64 116.18 3ixo n GLU 34 Ca -0.19 -0.68 -0.48 0.00 -0.02 0.00 0.00 57.16 55.79 3ixo n GLU 34 Cb 0.53 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 3ixo n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ixo n GLU 35 N -4.06 2.11 -3.91 3.49 4.07 -1.26 -4.69 120.64 116.39 3ixo n GLU 35 Ca 0.02 0.77 -0.10 0.00 -0.06 0.00 0.00 57.16 57.78 3ixo n GLU 35 Cb 0.57 -2.58 -0.11 0.00 -0.06 0.00 0.00 31.44 29.26 3ixo n GLU 35 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3ixo s ILE 36 N 2.76 0.07 -0.58 6.31 -4.36 -1.26 -5.10 121.20 119.04 3ixo s ILE 36 Ca 0.87 -0.62 -0.28 0.00 -0.26 0.00 0.00 60.65 60.36 3ixo s ILE 36 Cb -0.70 -0.28 0.03 0.00 1.25 0.00 0.00 42.46 42.76 3ixo s ILE 36 CO 0.47 -0.34 1.18 0.20 0.24 0.00 0.00 174.94 176.69 3ixo s ASN 37 N -1.08 6.44 -0.05 4.36 0.01 -1.26 -5.00 114.94 118.36 3ixo s ASN 37 Ca -0.12 0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.13 3ixo s ASN 37 Cb -0.07 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 3ixo s ASN 37 CO 0.00 -1.48 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.25 3ixo s LEU 38 N 4.92 2.94 0.49 0.60 1.43 -1.26 -4.93 118.68 122.87 3ixo s LEU 38 Ca 0.42 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.25 3ixo s LEU 38 Cb -0.08 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 3ixo s LEU 38 CO 0.25 0.35 0.93 -2.16 0.23 0.00 0.00 176.35 175.95 3ixo s PRO 39 N -0.82 3.89 0.33 1.29 0.04 -1.26 -4.96 135.00 133.50 3ixo s PRO 39 Ca 0.12 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.98 3ixo s PRO 39 Cb -0.11 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3ixo s PRO 39 CO 0.01 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.24 3ixo n GLY 40 N -1.56 -1.79 3.88 0.56 0.00 -1.26 -5.01 105.19 100.02 3ixo n GLY 40 Ca 0.05 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 3ixo n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixo s LYS 41 N 0.00 3.63 0.18 1.61 -2.85 -1.26 -5.11 119.74 115.95 3ixo s LYS 41 Ca 0.00 0.47 -0.24 0.00 -1.00 0.00 0.00 55.97 55.21 3ixo s LYS 41 Cb 0.00 -2.27 0.05 0.00 -2.06 0.00 0.00 37.83 33.55 3ixo s LYS 41 CO 0.00 -0.29 0.80 1.67 0.10 0.00 0.00 175.35 177.63 3ixo s TRP 42 N -2.80 -0.25 -0.00 1.78 1.48 -1.26 -4.75 118.94 113.14 3ixo s TRP 42 Ca 0.51 -0.08 0.08 0.00 -1.06 0.00 0.00 56.10 55.55 3ixo s TRP 42 Cb -0.10 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 32.83 3ixo s TRP 42 CO 0.44 -0.95 -0.24 0.15 -4.06 0.00 0.00 176.95 172.29 3ixo s LYS 43 N -3.58 1.84 0.16 3.25 1.02 -0.87 -4.85 119.74 116.71 3ixo s LYS 43 Ca 0.09 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 3ixo s LYS 43 Cb -0.03 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 3ixo s LYS 43 CO 0.00 0.50 1.36 -1.25 -0.92 0.00 0.00 175.35 175.04 3ixo s PRO 44 N -0.72 4.34 0.05 -1.68 0.04 -1.26 0.06 135.00 135.82 3ixo s PRO 44 Ca 0.09 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 3ixo s PRO 44 Cb -0.09 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 3ixo s PRO 44 CO -0.00 -0.36 -0.00 0.21 0.04 0.00 0.00 177.00 176.88 3ixo s LYS 45 N 0.48 0.60 -0.08 4.56 2.20 0.13 -4.90 119.74 122.73 3ixo s LYS 45 Ca 0.61 -1.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3ixo s LYS 45 Cb -0.37 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.14 3ixo s LYS 45 CO 0.35 -0.12 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.45 3ixo s MET 46 N -3.59 2.80 -0.02 4.03 -1.94 -1.26 0.90 119.30 120.21 3ixo s MET 46 Ca 0.04 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 3ixo s MET 46 Cb 0.05 -2.48 0.03 0.00 2.01 0.00 0.00 34.83 34.44 3ixo s MET 46 CO -0.09 0.50 0.01 0.96 -0.01 0.00 0.00 175.02 176.40 3ixo s ILE 47 N -0.41 0.06 0.46 2.53 -4.36 -0.81 -4.98 121.20 113.70 3ixo s ILE 47 Ca 0.05 0.14 -0.03 0.00 -0.26 0.00 0.00 60.65 60.55 3ixo s ILE 47 Cb -0.12 -0.17 -0.02 0.00 1.25 0.00 0.00 42.46 43.39 3ixo s ILE 47 CO 0.02 0.11 0.73 -0.83 0.24 0.00 0.00 174.94 175.21 3ixo s GLY 48 N 0.99 1.49 0.00 6.27 0.00 -1.26 -2.32 107.32 112.49 3ixo s GLY 48 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3ixo s GLY 48 CO -0.02 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.12 3ixo n GLY 49 N -2.16 3.60 0.31 0.20 0.00 0.58 -4.92 105.19 102.80 3ixo n GLY 49 Ca -0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 3ixo n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ixo h ILE 50 N 0.24 1.26 -0.00 -0.61 6.09 -2.02 -2.72 117.51 119.75 3ixo h ILE 50 Ca 0.00 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 3ixo h ILE 50 Cb 0.00 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.02 3ixo h ILE 50 CO 0.00 0.41 -0.27 0.61 -3.07 0.00 0.00 178.15 175.83 3ixo n GLY 51 N -0.50 -1.05 0.00 8.18 0.00 -1.26 -5.03 105.19 105.54 3ixo n GLY 51 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3ixo n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixo n GLY 52 N 1.40 0.94 3.34 -0.02 0.00 -1.03 -5.10 105.19 104.72 3ixo n GLY 52 Ca 0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3ixo n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ixo s PHE 53 N 0.00 0.14 0.02 1.61 -0.12 -1.26 0.22 117.98 118.59 3ixo s PHE 53 Ca 0.00 -0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 56.32 3ixo s PHE 53 Cb 0.00 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 3ixo s PHE 53 CO 0.00 -0.72 0.08 0.96 -0.05 0.00 0.00 175.22 175.50 3ixo s ILE 54 N -3.90 0.11 -0.07 -4.49 -4.36 -0.98 -4.99 121.20 102.53 3ixo s ILE 54 Ca 0.10 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 3ixo s ILE 54 Cb 0.03 -0.64 -0.05 0.00 1.25 0.00 0.00 42.46 43.05 3ixo s ILE 54 CO -0.05 -0.52 0.24 -0.75 0.24 0.00 0.00 174.94 174.10 3ixo s LYS 55 N -2.02 3.60 0.07 0.37 2.20 -1.26 -1.93 119.74 120.78 3ixo s LYS 55 Ca -0.10 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 3ixo s LYS 55 Cb -0.05 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3ixo s LYS 55 CO -0.02 0.74 -0.05 0.14 -0.36 0.00 0.00 175.35 175.80 3ixo s VAL 56 N -1.08 0.49 -0.13 4.02 -7.23 0.26 -4.47 120.40 112.26 3ixo s VAL 56 Ca 0.19 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 3ixo s VAL 56 Cb -0.14 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 3ixo s VAL 56 CO 0.08 -0.87 0.59 -0.54 -0.31 0.00 0.00 175.10 174.05 3ixo s LYS 57 N -3.62 4.32 -0.34 4.82 1.02 0.95 0.19 119.74 127.08 3ixo s LYS 57 Ca 0.07 0.62 -0.13 0.00 0.02 0.00 0.00 55.97 56.55 3ixo s LYS 57 Cb 0.05 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3ixo s LYS 57 CO -0.06 -0.01 0.26 -1.14 -0.92 0.00 0.00 175.35 173.48 3ixo s GLN 58 N 1.14 3.52 -0.21 1.68 0.74 0.11 -0.30 119.66 126.33 3ixo s GLN 58 Ca 0.30 -0.60 -0.06 0.00 0.05 0.00 0.00 55.36 55.05 3ixo s GLN 58 Cb -0.16 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 3ixo s GLN 58 CO 0.12 -0.45 0.03 0.71 -0.55 0.00 0.00 175.29 175.15 3ixo s TYR 59 N 1.77 3.08 0.39 1.67 1.51 -0.48 -2.06 117.35 123.23 3ixo s TYR 59 Ca 0.07 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3ixo s TYR 59 Cb -0.17 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 3ixo s TYR 59 CO 0.11 -0.22 0.60 -0.51 -1.11 0.00 0.00 175.55 174.41 3ixo s ASP 60 N 1.10 6.07 -1.66 2.29 1.01 -1.26 0.02 116.67 124.23 3ixo s ASP 60 Ca 0.03 0.32 -0.17 0.00 0.71 0.00 0.00 52.55 53.44 3ixo s ASP 60 Cb -0.14 -1.75 0.14 0.00 1.01 0.00 0.00 42.92 42.18 3ixo s ASP 60 CO 0.02 -0.48 0.83 0.00 0.21 0.00 0.00 175.17 175.74 3ixo n GLN 61 N -1.90 -3.71 -3.02 8.23 6.02 -1.12 -4.87 117.38 117.01 3ixo n GLN 61 Ca -0.02 0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 57.00 3ixo n GLN 61 Cb 0.57 -5.18 -0.05 0.00 1.02 0.00 0.00 30.24 26.61 3ixo n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ixo s ILE 62 N -3.31 4.97 -0.05 5.09 -1.09 0.19 -4.66 121.20 122.33 3ixo s ILE 62 Ca 0.71 1.51 -0.21 0.00 -2.23 0.00 0.00 60.65 60.42 3ixo s ILE 62 Cb -0.38 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 3ixo s ILE 62 CO 0.91 0.28 0.61 -0.22 -1.23 0.00 0.00 174.94 175.28 3ixo s LEU 63 N 0.58 4.35 0.08 2.97 2.96 -1.26 -1.21 118.68 127.14 3ixo s LEU 63 Ca 0.38 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 3ixo s LEU 63 Cb -0.18 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 3ixo s LEU 63 CO 0.20 -0.00 -0.10 0.27 -1.32 0.00 0.00 176.35 175.40 3ixo s ILE 64 N 0.37 0.82 -0.23 6.68 -4.36 0.44 -4.31 121.20 120.61 3ixo s ILE 64 Ca 0.32 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 3ixo s ILE 64 Cb -0.17 -1.10 0.05 0.00 1.25 0.00 0.00 42.46 42.49 3ixo s ILE 64 CO 0.16 -0.47 -0.10 -0.70 0.24 0.00 0.00 174.94 174.07 3ixo s GLU 65 N -2.32 2.03 -0.26 0.37 2.12 -0.67 -1.25 118.70 118.72 3ixo s GLU 65 Ca -0.00 -1.06 -0.09 0.00 0.36 0.00 0.00 54.97 54.18 3ixo s GLU 65 Cb -0.06 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 3ixo s GLU 65 CO 0.00 -0.52 0.11 0.42 -0.54 0.00 0.00 175.26 174.73 3ixo s ILE 66 N 1.29 4.62 -1.31 -3.70 1.01 0.79 -1.15 121.20 122.75 3ixo s ILE 66 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3ixo s ILE 66 Cb -0.18 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3ixo s ILE 66 CO -0.07 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.17 3ixo n GLY 68 N -0.42 0.80 3.52 0.00 0.00 -1.26 -5.06 105.19 102.77 3ixo n GLY 68 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3ixo n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixo s LYS 69 N -0.67 1.87 0.03 1.61 1.02 -0.52 -5.11 119.74 117.97 3ixo s LYS 69 Ca 0.00 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 54.76 3ixo s LYS 69 Cb 0.00 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3ixo s LYS 69 CO 0.00 0.46 0.08 0.15 -0.92 0.00 0.00 175.35 175.12 3ixo s LYS 70 N -2.46 2.99 -0.12 1.68 1.02 -1.26 -0.15 119.74 121.45 3ixo s LYS 70 Ca 0.21 -0.57 -0.26 0.00 0.02 0.00 0.00 55.97 55.37 3ixo s LYS 70 Cb -0.10 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 3ixo s LYS 70 CO 0.12 0.61 0.62 0.00 -0.92 0.00 0.00 175.35 175.79 3ixo s ALA 71 N -1.27 -1.59 -0.06 5.17 0.00 -0.38 -4.78 121.76 118.85 3ixo s ALA 71 Ca 0.26 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.66 3ixo s ALA 71 Cb -0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 3ixo s ALA 71 CO 0.17 -0.33 -0.21 0.42 0.00 0.00 0.00 175.76 175.81 3ixo s ILE 72 N -0.62 1.78 0.00 0.00 1.01 -1.26 -0.42 121.20 121.69 3ixo s ILE 72 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3ixo s ILE 72 Cb -0.02 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3ixo s ILE 72 CO 0.06 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3ixo n GLY 73 N 3.19 0.59 3.72 6.18 0.00 -0.35 -4.88 105.19 113.64 3ixo n GLY 73 Ca -0.18 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3ixo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixo s THR 74 N -2.12 4.66 -0.13 2.61 2.01 -1.26 0.52 115.64 121.94 3ixo s THR 74 Ca 0.00 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.01 3ixo s THR 74 Cb 0.00 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3ixo s THR 74 CO 0.00 0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.36 3ixo s VAL 75 N 0.35 1.58 -0.12 3.82 1.01 0.10 -4.51 120.40 122.62 3ixo s VAL 75 Ca 0.47 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3ixo s VAL 75 Cb -0.22 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ixo s VAL 75 CO 0.28 0.46 0.46 -0.76 0.00 0.00 0.00 175.10 175.54 3ixo s LEU 76 N 1.26 4.27 -0.26 3.92 1.43 -0.37 -1.38 118.68 127.55 3ixo s LEU 76 Ca 0.00 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3ixo s LEU 76 Cb -0.14 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3ixo s LEU 76 CO -0.07 0.01 -0.06 -0.69 0.23 0.00 0.00 176.35 175.77 3ixo s VAL 77 N 0.62 2.77 0.29 -1.59 1.01 0.59 -1.62 120.40 122.46 3ixo s VAL 77 Ca 0.25 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 3ixo s VAL 77 Cb -0.15 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3ixo s VAL 77 CO 0.09 0.13 0.92 -0.83 0.00 0.00 0.00 175.10 175.41 3ixo s GLY 78 N 1.28 0.26 -0.79 4.51 0.00 -1.19 -0.03 107.32 111.36 3ixo s GLY 78 Ca -0.02 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.88 3ixo s GLY 78 CO -0.04 1.17 2.06 2.56 0.00 0.00 0.00 173.10 178.85 3ixo s PRO 79 N -2.16 2.33 -0.02 2.90 0.04 -1.26 -4.05 135.00 132.79 3ixo s PRO 79 Ca 0.19 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.43 3ixo s PRO 79 Cb -0.04 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.67 3ixo s PRO 79 CO 0.09 -3.47 -0.07 -0.08 0.04 0.00 0.00 177.00 173.51 3ixo s THR 80 N 11.04 0.58 -0.85 1.26 -1.32 -1.26 -5.00 115.64 120.10 3ixo s THR 80 Ca 0.76 -0.27 0.24 0.00 -1.21 0.00 0.00 61.69 61.21 3ixo s THR 80 Cb -0.10 -0.52 0.23 0.00 -1.51 0.00 0.00 72.50 70.60 3ixo s THR 80 CO 0.07 0.18 1.76 -1.54 -2.21 0.00 0.00 174.62 172.88 3ixo n SER 81 N 3.18 0.31 -3.97 8.08 3.41 -1.26 -4.34 113.62 119.03 3ixo n SER 81 Ca -0.16 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 3ixo n SER 81 Cb 0.56 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 63.76 3ixo n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ixo s VAL 82 N -3.07 0.23 -0.25 -3.33 0.11 -1.26 -5.02 120.40 107.81 3ixo s VAL 82 Ca 0.10 -0.66 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 3ixo s VAL 82 Cb 0.14 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3ixo s VAL 82 CO 0.47 -0.28 0.82 0.20 -3.33 0.00 0.00 175.10 172.98 3ixo s ASN 83 N -0.98 6.81 -0.13 3.54 0.01 -1.26 -4.47 114.94 118.46 3ixo s ASN 83 Ca -0.09 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 3ixo s ASN 83 Cb -0.07 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 3ixo s ASN 83 CO -0.00 -0.52 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.30 3ixo s ILE 84 N 2.84 3.01 -0.27 0.60 1.01 0.95 -0.13 121.20 129.21 3ixo s ILE 84 Ca 0.34 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 3ixo s ILE 84 Cb -0.15 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3ixo s ILE 84 CO 0.08 0.53 0.14 -0.63 0.00 0.00 0.00 174.94 175.05 3ixo s ILE 85 N 0.31 4.86 0.63 2.92 -1.09 0.90 -1.59 121.20 128.15 3ixo s ILE 85 Ca -0.11 -0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 3ixo s ILE 85 Cb -0.16 -3.31 0.10 0.00 -1.58 0.00 0.00 42.46 37.51 3ixo s ILE 85 CO 0.06 0.27 0.86 -0.83 -1.23 0.00 0.00 174.94 174.07 3ixo s GLY 86 N 1.69 1.74 0.48 6.18 0.00 -1.20 -1.25 107.32 114.97 3ixo s GLY 86 Ca 0.07 -2.01 0.16 0.00 0.00 0.00 0.00 44.72 42.93 3ixo s GLY 86 CO 0.08 -1.51 2.05 3.21 0.00 0.00 0.00 173.10 176.93 3ixo h ARG 87 N -0.07 0.20 -0.55 2.90 3.08 -1.12 0.10 114.38 118.93 3ixo h ARG 87 Ca -0.32 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.78 3ixo h ARG 87 Cb 1.28 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 3ixo h ARG 87 CO 0.40 0.14 0.37 -2.95 -1.07 0.00 0.00 179.97 176.85 3ixo h ASN 88 N 0.21 0.42 0.19 7.04 -1.07 -1.80 -0.16 115.58 120.42 3ixo h ASN 88 Ca 0.16 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.19 3ixo h ASN 88 Cb 0.37 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.48 3ixo h ASN 88 CO -0.03 0.27 -2.09 0.23 0.07 0.00 0.00 177.43 175.88 3ixo n MET 89 N -4.47 0.68 0.08 4.14 2.81 -0.53 -4.23 117.12 115.60 3ixo n MET 89 Ca 0.08 0.18 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 3ixo n MET 89 Cb 0.26 -1.65 0.45 0.00 -0.71 0.00 0.00 33.22 31.57 3ixo n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3ixo h LEU 90 N 0.01 0.32 -1.14 4.03 3.38 -0.35 -1.33 115.31 120.25 3ixo h LEU 90 Ca -0.44 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3ixo h LEU 90 Cb 2.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3ixo h LEU 90 CO 0.04 0.29 -0.35 0.71 0.09 0.00 0.00 178.44 179.22 3ixo h THR 91 N 0.37 0.94 0.01 0.22 1.35 -1.22 -1.25 112.91 113.33 3ixo h THR 91 Ca 0.09 -1.36 -0.19 0.00 -0.55 0.00 0.00 66.41 64.40 3ixo h THR 91 Cb 0.07 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3ixo h THR 91 CO -0.01 0.34 -0.89 1.56 -0.25 0.00 0.00 175.52 176.28 3ixo h GLN 92 N 0.00 0.10 -0.61 4.72 4.20 -1.42 -3.11 115.11 118.99 3ixo h GLN 92 Ca -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3ixo h GLN 92 Cb 0.78 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3ixo h GLN 92 CO 0.05 0.92 0.00 0.44 -0.67 0.00 0.00 178.83 179.57 3ixo n ILE 93 N -3.58 1.27 -3.48 2.54 -5.35 -1.11 -4.92 119.36 104.72 3ixo n ILE 93 Ca -0.02 -0.82 -0.21 0.00 -0.27 0.00 0.00 62.75 61.43 3ixo n ILE 93 Cb 0.82 0.01 0.07 0.00 -1.74 0.00 0.00 39.64 38.80 3ixo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ixo n GLY 94 N 0.89 -0.39 3.74 3.28 0.00 -1.18 -4.99 105.19 106.54 3ixo n GLY 94 Ca 0.18 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 3ixo n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixo s THR 96 N 0.16 0.96 -0.08 0.00 -4.23 -1.26 -4.73 115.64 106.47 3ixo s THR 96 Ca 0.38 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3ixo s THR 96 Cb -0.20 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 3ixo s THR 96 CO 0.21 -0.77 0.09 -0.76 -0.54 0.00 0.00 174.62 172.86 3ixo s LEU 97 N -3.02 4.07 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.57 3ixo s LEU 97 Ca 0.13 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3ixo s LEU 97 Cb 0.03 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3ixo s LEU 97 CO -0.02 0.36 -0.02 0.20 0.23 0.00 0.00 176.35 177.10 3ixo s ASN 98 N -1.22 0.52 0.00 2.29 0.01 -1.26 -5.29 114.94 110.00 3ixo s ASN 98 Ca 0.17 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3ixo s ASN 98 Cb -0.12 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.33 3ixo s ASN 98 CO 0.07 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.84