#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxm s GLN 2 N 0.00 4.03 -0.12 0.54 0.74 -1.26 -5.10 119.66 118.49 2nxm s GLN 2 Ca 0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.34 2nxm s GLN 2 Cb 0.00 -3.36 0.03 0.00 1.10 0.00 0.00 33.01 30.78 2nxm s GLN 2 CO 0.00 0.41 -0.07 0.42 -0.55 0.00 0.00 175.29 175.50 2nxm s ILE 3 N -0.01 1.02 0.71 -2.34 1.01 -1.26 -5.13 121.20 115.19 2nxm s ILE 3 Ca 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2nxm s ILE 3 Cb -0.12 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.37 2nxm s ILE 3 CO 0.02 0.33 1.00 0.42 0.00 0.00 0.00 174.94 176.71 2nxm s THR 4 N 1.71 2.29 -0.08 2.92 -4.23 -1.26 -5.04 115.64 111.94 2nxm s THR 4 Ca 0.04 -0.38 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 2nxm s THR 4 Cb -0.13 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 70.99 2nxm s THR 4 CO -0.08 0.00 1.08 0.18 -0.54 0.00 0.00 174.62 175.26 2nxm n LEU 5 N -2.89 1.57 0.26 4.79 4.77 -1.26 -4.55 117.00 119.70 2nxm n LEU 5 Ca 0.10 -2.33 0.12 0.00 -0.03 0.00 0.00 56.01 53.87 2nxm n LEU 5 Cb 0.60 -0.27 0.72 0.00 -2.33 0.00 0.00 43.42 42.14 2nxm n LEU 5 CO 0.48 0.54 0.98 -0.50 -1.33 0.00 0.00 177.39 177.56 2nxm h TRP 6 N 0.00 0.00 -3.07 -1.77 6.55 -2.07 -3.43 115.95 112.16 2nxm h TRP 6 Ca 0.00 0.00 -0.40 0.00 0.95 0.00 0.00 58.89 59.44 2nxm h TRP 6 Cb 1.09 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.25 2nxm h TRP 6 CO 0.03 0.12 -0.71 0.15 -1.05 0.00 0.00 178.44 176.97 2nxm s LYS 7 N -4.25 1.26 -0.05 0.49 -0.14 -1.26 -5.10 119.74 110.68 2nxm s LYS 7 Ca -0.03 -1.57 -0.36 0.00 -1.36 0.00 0.00 55.97 52.65 2nxm s LYS 7 Cb 0.13 -0.91 -0.14 0.00 -1.68 0.00 0.00 37.83 35.23 2nxm s LYS 7 CO 0.59 0.11 1.65 0.54 -0.76 0.00 0.00 175.35 177.49 2nxm n ARG 8 N -0.34 1.66 -1.63 1.68 1.74 -1.26 -4.85 116.66 113.66 2nxm n ARG 8 Ca -0.08 0.60 -0.35 0.00 -0.77 0.00 0.00 57.85 57.25 2nxm n ARG 8 Cb 0.61 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.65 2nxm n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nxm n PRO 9 N 4.66 1.50 -3.88 5.56 -0.04 -1.26 -4.91 135.00 136.63 2nxm n PRO 9 Ca 0.21 -2.16 -0.37 0.00 -0.04 0.00 0.00 63.50 61.15 2nxm n PRO 9 Cb 0.22 -3.35 -0.07 0.00 -0.04 0.00 0.00 33.50 30.27 2nxm n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nxm s LEU 10 N 6.57 4.31 0.09 1.53 1.43 -1.26 -0.37 118.68 130.99 2nxm s LEU 10 Ca 0.64 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2nxm s LEU 10 Cb 0.06 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2nxm s LEU 10 CO 0.14 0.37 -0.02 0.68 0.23 0.00 0.00 176.35 177.74 2nxm s VAL 11 N -0.76 0.37 0.03 -1.59 -7.23 0.89 -4.92 120.40 107.20 2nxm s VAL 11 Ca 0.14 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.20 2nxm s VAL 11 Cb -0.12 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 2nxm s VAL 11 CO 0.03 -0.80 0.65 -0.89 -0.31 0.00 0.00 175.10 173.78 2nxm s THR 12 N -3.84 4.79 0.23 5.32 2.01 -1.26 -0.15 115.64 122.75 2nxm s THR 12 Ca 0.14 1.39 0.11 0.00 0.31 0.00 0.00 61.69 63.64 2nxm s THR 12 Cb 0.07 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2nxm s THR 12 CO -0.05 0.43 -0.21 0.27 -0.69 0.00 0.00 174.62 174.38 2nxm s ILE 13 N -0.37 2.32 -0.19 1.82 -4.36 0.73 -2.76 121.20 118.40 2nxm s ILE 13 Ca 0.33 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 2nxm s ILE 13 Cb -0.19 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2nxm s ILE 13 CO 0.20 -0.31 -0.17 -0.60 0.24 0.00 0.00 174.94 174.30 2nxm s ARG 14 N -3.16 3.07 -0.03 0.37 3.00 -0.16 -1.06 118.95 120.99 2nxm s ARG 14 Ca 0.25 -0.79 0.00 0.00 -1.00 0.00 0.00 55.73 54.19 2nxm s ARG 14 Cb -0.06 -2.66 0.03 0.00 0.00 0.00 0.00 34.95 32.26 2nxm s ARG 14 CO 0.12 -0.20 0.01 -1.50 0.00 0.00 0.00 175.30 173.73 2nxm s ILE 15 N 1.31 0.09 -1.45 4.11 2.07 0.14 -0.94 121.20 126.52 2nxm s ILE 15 Ca 0.05 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 2nxm s ILE 15 Cb -0.13 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.26 2nxm s ILE 15 CO -0.11 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2nxm n GLY 16 N 4.15 1.39 0.19 1.50 0.00 -1.26 -1.06 105.19 110.09 2nxm n GLY 16 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2nxm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxm n GLY 17 N -0.74 2.97 3.87 -0.02 0.00 -1.26 -5.06 105.19 104.96 2nxm n GLY 17 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2nxm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxm s GLN 18 N -0.95 3.57 0.09 1.61 -0.21 -0.22 -5.07 119.66 118.48 2nxm s GLN 18 Ca 0.00 -0.00 -0.23 0.00 0.02 0.00 0.00 55.36 55.15 2nxm s GLN 18 Cb 0.00 -3.17 -0.07 0.00 1.00 0.00 0.00 33.01 30.77 2nxm s GLN 18 CO 0.00 0.73 0.68 -0.51 -2.12 0.00 0.00 175.29 174.07 2nxm s LEU 19 N -1.21 4.52 0.20 2.90 1.02 -1.26 -0.69 118.68 124.16 2nxm s LEU 19 Ca 0.20 1.41 -0.05 0.00 0.02 0.00 0.00 54.13 55.71 2nxm s LEU 19 Cb -0.13 -3.10 -0.03 0.00 0.02 0.00 0.00 46.19 42.95 2nxm s LEU 19 CO 0.09 0.18 0.23 -0.54 0.02 0.00 0.00 176.35 176.33 2nxm s LYS 20 N -0.79 1.25 -0.04 1.70 1.02 -0.22 -4.98 119.74 117.69 2nxm s LYS 20 Ca 0.33 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.83 2nxm s LYS 20 Cb -0.21 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2nxm s LYS 20 CO 0.22 -0.44 0.14 -2.00 -0.92 0.00 0.00 175.35 172.35 2nxm s GLU 21 N -4.09 3.33 0.02 1.68 2.12 -1.26 -0.19 118.70 120.31 2nxm s GLU 21 Ca 0.31 -0.31 -0.13 0.00 0.36 0.00 0.00 54.97 55.19 2nxm s GLU 21 Cb 0.05 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.40 2nxm s GLU 21 CO 0.09 0.70 0.28 0.00 -0.54 0.00 0.00 175.26 175.79 2nxm s ALA 22 N -1.20 -0.67 -0.22 6.30 0.00 0.79 -4.49 121.76 122.27 2nxm s ALA 22 Ca 0.23 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.20 2nxm s ALA 22 Cb -0.12 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2nxm s ALA 22 CO 0.13 -0.33 0.10 -1.17 0.00 0.00 0.00 175.76 174.50 2nxm s LEU 23 N -1.71 3.85 -0.45 0.00 2.96 0.60 -0.08 118.68 123.85 2nxm s LEU 23 Ca -0.09 0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 2nxm s LEU 23 Cb -0.03 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2nxm s LEU 23 CO 0.00 0.09 1.56 -0.76 -1.32 0.00 0.00 176.35 175.92 2nxm s LEU 24 N 0.92 3.49 -0.46 -0.68 1.43 0.50 -1.39 118.68 122.48 2nxm s LEU 24 Ca 0.05 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2nxm s LEU 24 Cb -0.13 -3.30 0.12 0.00 0.03 0.00 0.00 46.19 42.91 2nxm s LEU 24 CO 0.03 -1.68 0.21 0.21 0.23 0.00 0.00 176.35 175.35 2nxm s ASN 25 N 5.06 4.25 0.00 2.29 3.84 -0.03 -4.80 114.94 125.55 2nxm s ASN 25 Ca 0.64 -2.70 0.10 0.00 0.21 0.00 0.00 52.86 51.11 2nxm s ASN 25 Cb -0.15 -1.47 0.46 0.00 -0.55 0.00 0.00 41.25 39.54 2nxm s ASN 25 CO 0.30 -0.28 1.32 0.35 -2.79 0.00 0.00 177.10 176.00 2nxm n THR 26 N 3.50 1.21 0.19 -5.21 -2.24 -1.26 -2.17 114.28 108.31 2nxm n THR 26 Ca 0.05 0.30 0.08 0.00 -2.27 0.00 0.00 64.05 62.22 2nxm n THR 26 Cb 0.35 -1.12 0.25 0.00 -2.10 0.00 0.00 70.33 67.70 2nxm n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxm n GLY 27 N -0.42 1.67 3.23 3.38 0.00 -1.26 -4.87 105.19 106.92 2nxm n GLY 27 Ca 0.03 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2nxm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxm s ALA 28 N -1.39 2.26 0.34 4.61 0.00 -0.92 -5.00 121.76 121.66 2nxm s ALA 28 Ca 0.37 -0.98 0.14 0.00 0.00 0.00 0.00 51.96 51.48 2nxm s ALA 28 Cb 0.20 -0.91 0.70 0.00 0.00 0.00 0.00 23.12 23.11 2nxm s ALA 28 CO 0.23 0.22 1.80 -0.44 0.00 0.00 0.00 175.76 177.57 2nxm h ASP 29 N 6.83 0.00 -3.10 0.00 3.32 -1.89 -0.28 116.42 121.30 2nxm h ASP 29 Ca -0.23 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.34 2nxm h ASP 29 Cb 1.23 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 2nxm h ASP 29 CO 0.50 0.40 -0.64 -1.81 -1.72 0.00 0.00 179.24 175.97 2nxm s ASP 30 N -6.83 2.55 -0.23 6.45 1.01 -1.26 -2.75 116.67 115.61 2nxm s ASP 30 Ca -0.02 -1.29 -0.08 0.00 0.71 0.00 0.00 52.55 51.86 2nxm s ASP 30 Cb 0.14 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.91 2nxm s ASP 30 CO 0.72 -0.49 0.09 -0.89 0.21 0.00 0.00 175.17 174.80 2nxm s THR 31 N -3.17 4.65 -0.16 -1.27 2.01 -1.26 -2.80 115.64 113.63 2nxm s THR 31 Ca 0.33 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 2nxm s THR 31 Cb 0.07 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.47 2nxm s THR 31 CO 0.14 0.37 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 2nxm s VAL 32 N 1.20 0.78 0.03 3.82 1.01 -0.43 -0.43 120.40 126.39 2nxm s VAL 32 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2nxm s VAL 32 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2nxm s VAL 32 CO 0.04 0.04 0.11 -0.76 0.00 0.00 0.00 175.10 174.52 2nxm s LEU 33 N 1.77 3.98 0.96 3.92 1.43 0.60 -1.39 118.68 129.95 2nxm s LEU 33 Ca 0.01 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2nxm s LEU 33 Cb -0.15 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 2nxm s LEU 33 CO -0.07 0.22 -0.38 -0.62 0.23 0.00 0.00 176.35 175.73 2nxm n GLU 34 N 0.79 -0.08 -1.67 1.70 1.02 -1.26 -1.15 120.64 119.99 2nxm n GLU 34 Ca -0.10 -0.01 -0.46 0.00 -0.02 0.00 0.00 57.16 56.57 2nxm n GLU 34 Cb 0.52 -1.28 -0.04 0.00 -0.02 0.00 0.00 31.44 30.62 2nxm n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nxm n GLU 35 N 1.12 2.13 -3.64 3.49 4.07 -1.18 -4.40 120.64 122.23 2nxm n GLU 35 Ca 0.01 0.77 -0.05 0.00 -0.06 0.00 0.00 57.16 57.83 2nxm n GLU 35 Cb 0.55 -2.51 -0.02 0.00 -0.06 0.00 0.00 31.44 29.40 2nxm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nxm s MET 36 N 0.61 1.02 -0.08 5.31 0.23 -1.26 -5.02 119.30 120.10 2nxm s MET 36 Ca 0.76 -0.50 -0.20 0.00 -1.03 0.00 0.00 55.69 54.73 2nxm s MET 36 Cb -0.67 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 32.98 2nxm s MET 36 CO 0.40 -0.46 0.56 -0.80 -2.03 0.00 0.00 175.02 172.70 2nxm s ASN 37 N -2.75 6.82 -0.01 -1.18 -0.87 -1.26 -5.05 114.94 110.65 2nxm s ASN 37 Ca 0.09 0.98 0.05 0.00 -1.57 0.00 0.00 52.86 52.42 2nxm s ASN 37 Cb -0.01 -2.34 -0.01 0.00 -0.02 0.00 0.00 41.25 38.87 2nxm s ASN 37 CO -0.03 -0.02 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.57 2nxm s LEU 38 N 0.53 2.05 0.35 0.60 1.43 -1.26 -4.99 118.68 117.39 2nxm s LEU 38 Ca 0.30 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 2nxm s LEU 38 Cb -0.16 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.14 2nxm s LEU 38 CO 0.14 0.19 0.97 -2.84 0.23 0.00 0.00 176.35 175.03 2nxm s PRO 39 N -0.46 4.45 0.00 1.29 0.02 -1.26 -4.95 135.00 134.09 2nxm s PRO 39 Ca 0.06 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2nxm s PRO 39 Cb -0.06 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.78 2nxm s PRO 39 CO -0.00 0.15 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 2nxm n GLY 40 N 0.37 0.82 3.83 0.52 0.00 -1.26 -5.04 105.19 104.42 2nxm n GLY 40 Ca 0.03 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 2nxm n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nxm s LYS 41 N -0.90 4.15 0.07 1.61 3.01 -1.26 -5.09 119.74 121.34 2nxm s LYS 41 Ca 0.00 0.74 0.06 0.00 -1.01 0.00 0.00 55.97 55.76 2nxm s LYS 41 Cb 0.00 -2.86 -0.03 0.00 -1.01 0.00 0.00 37.83 33.93 2nxm s LYS 41 CO 0.00 0.40 -0.17 1.67 0.51 0.00 0.00 175.35 177.77 2nxm s TRP 42 N -1.54 1.43 -0.07 3.18 1.48 -1.26 -4.57 118.94 117.59 2nxm s TRP 42 Ca 0.42 -0.42 0.01 0.00 -1.06 0.00 0.00 56.10 55.05 2nxm s TRP 42 Cb -0.16 -0.81 -0.03 0.00 -1.16 0.00 0.00 33.47 31.31 2nxm s TRP 42 CO 0.20 0.10 -0.07 0.15 -4.06 0.00 0.00 176.95 173.27 2nxm s LYS 43 N -1.60 2.80 0.23 3.25 -0.14 -0.52 -4.88 119.74 118.89 2nxm s LYS 43 Ca 0.02 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 2nxm s LYS 43 Cb -0.09 -2.61 -0.09 0.00 -1.68 0.00 0.00 37.83 33.35 2nxm s LYS 43 CO 0.03 0.64 1.37 -2.14 -0.76 0.00 0.00 175.35 174.48 2nxm s PRO 44 N -0.74 4.33 0.20 -1.68 0.02 -1.26 0.36 135.00 136.22 2nxm s PRO 44 Ca 0.11 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.24 2nxm s PRO 44 Cb -0.11 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 2nxm s PRO 44 CO 0.02 -0.32 0.29 0.15 -0.33 0.00 0.00 177.00 176.81 2nxm s LYS 45 N -0.39 1.29 0.00 5.54 1.02 0.18 -4.88 119.74 122.49 2nxm s LYS 45 Ca 0.57 -1.35 0.06 0.00 0.02 0.00 0.00 55.97 55.28 2nxm s LYS 45 Cb -0.39 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 2nxm s LYS 45 CO 0.42 -0.48 -0.19 -1.64 -0.92 0.00 0.00 175.35 172.54 2nxm s MET 46 N -4.04 1.48 0.27 1.68 -1.94 -1.26 0.46 119.30 115.95 2nxm s MET 46 Ca 0.26 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.52 2nxm s MET 46 Cb 0.03 -1.47 -0.06 0.00 2.01 0.00 0.00 34.83 35.34 2nxm s MET 46 CO 0.07 0.40 0.04 0.96 -0.01 0.00 0.00 175.02 176.47 2nxm s ILE 47 N -0.55 0.97 0.18 2.53 -4.36 -0.64 -4.97 121.20 114.35 2nxm s ILE 47 Ca 0.07 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 2nxm s ILE 47 Cb -0.08 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 2nxm s ILE 47 CO -0.00 -0.13 -0.00 -0.83 0.24 0.00 0.00 174.94 174.22 2nxm s GLY 48 N -3.37 1.26 0.00 6.27 0.00 -1.26 0.38 107.32 110.59 2nxm s GLY 48 Ca 0.34 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2nxm s GLY 48 CO 0.12 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.29 2nxm n GLY 49 N -0.26 3.46 3.71 0.20 0.00 -0.06 -4.95 105.19 107.29 2nxm n GLY 49 Ca -0.06 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2nxm n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nxm s ILE 50 N -0.66 4.59 0.00 -0.61 -4.36 -1.26 -2.84 121.20 116.05 2nxm s ILE 50 Ca 0.00 1.88 0.00 0.00 -0.26 0.00 0.00 60.65 62.27 2nxm s ILE 50 Cb 0.00 -4.21 0.00 0.00 1.25 0.00 0.00 42.46 39.50 2nxm s ILE 50 CO 0.00 0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.95 2nxm n GLY 51 N 2.92 0.62 0.00 6.27 0.00 -1.26 -4.98 105.19 108.76 2nxm n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2nxm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxm n GLY 52 N -2.00 0.19 3.81 -0.02 0.00 -1.13 -5.06 105.19 100.99 2nxm n GLY 52 Ca 0.00 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 2nxm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nxm s PHE 53 N 0.00 3.44 0.24 1.61 0.40 -1.26 -0.88 117.98 121.53 2nxm s PHE 53 Ca 0.00 0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.81 2nxm s PHE 53 Cb 0.00 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 2nxm s PHE 53 CO 0.00 0.64 -0.16 0.96 0.70 0.00 0.00 175.22 177.35 2nxm s ILE 54 N -1.02 2.04 -0.07 0.64 -4.36 0.16 -4.97 121.20 113.62 2nxm s ILE 54 Ca 0.16 -2.29 -0.15 0.00 -0.26 0.00 0.00 60.65 58.11 2nxm s ILE 54 Cb -0.12 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 2nxm s ILE 54 CO 0.05 -0.50 0.38 -0.54 0.24 0.00 0.00 174.94 174.58 2nxm s LYS 55 N -3.59 4.08 0.09 0.37 1.02 -1.26 -1.63 119.74 118.82 2nxm s LYS 55 Ca 0.26 0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.58 2nxm s LYS 55 Cb -0.02 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2nxm s LYS 55 CO 0.11 0.45 -0.05 0.14 -0.92 0.00 0.00 175.35 175.08 2nxm s VAL 56 N -0.27 0.53 -0.17 3.17 -7.23 0.17 -4.54 120.40 112.06 2nxm s VAL 56 Ca 0.22 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 2nxm s VAL 56 Cb -0.15 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2nxm s VAL 56 CO 0.10 -0.88 0.39 -0.13 -0.31 0.00 0.00 175.10 174.27 2nxm s ARG 57 N -3.87 4.23 -0.32 4.82 0.52 -0.11 -0.64 118.95 123.58 2nxm s ARG 57 Ca 0.11 0.22 -0.14 0.00 -0.52 0.00 0.00 55.73 55.41 2nxm s ARG 57 Cb 0.06 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 2nxm s ARG 57 CO -0.06 0.07 0.32 -1.14 0.02 0.00 0.00 175.30 174.52 2nxm s GLN 58 N 0.96 3.71 -0.24 3.54 0.74 0.16 -1.27 119.66 127.26 2nxm s GLN 58 Ca 0.20 -0.34 -0.07 0.00 0.05 0.00 0.00 55.36 55.20 2nxm s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 2nxm s GLN 58 CO 0.07 -0.41 0.06 0.71 -0.55 0.00 0.00 175.29 175.18 2nxm s TYR 59 N 1.95 3.10 0.33 1.67 1.51 -0.45 -1.43 117.35 124.03 2nxm s TYR 59 Ca 0.11 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2nxm s TYR 59 Cb -0.16 -2.21 -0.05 0.00 -0.11 0.00 0.00 41.96 39.43 2nxm s TYR 59 CO 0.11 -0.29 0.59 -0.51 -1.11 0.00 0.00 175.55 174.34 2nxm s ASP 60 N 1.42 6.40 -1.56 2.29 1.01 -1.26 -0.09 116.67 124.88 2nxm s ASP 60 Ca 0.05 0.70 -0.15 0.00 0.71 0.00 0.00 52.55 53.87 2nxm s ASP 60 Cb -0.15 -2.14 0.11 0.00 1.01 0.00 0.00 42.92 41.75 2nxm s ASP 60 CO 0.03 -0.27 0.85 1.67 0.21 0.00 0.00 175.17 177.67 2nxm n GLN 61 N -1.29 -4.50 -2.93 8.23 7.27 -1.20 -4.87 117.38 118.10 2nxm n GLN 61 Ca -0.02 0.52 -0.41 0.00 0.07 0.00 0.00 57.00 57.16 2nxm n GLN 61 Cb 0.55 -5.34 -0.04 0.00 2.41 0.00 0.00 30.24 27.81 2nxm n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2nxm s ILE 62 N -3.24 4.93 0.31 1.69 -1.09 -0.69 -4.69 121.20 118.42 2nxm s ILE 62 Ca 0.65 1.59 -0.29 0.00 -2.23 0.00 0.00 60.65 60.38 2nxm s ILE 62 Cb -0.34 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.33 2nxm s ILE 62 CO 0.81 0.09 1.15 -2.84 -1.23 0.00 0.00 174.94 172.92 2nxm s PRO 63 N 1.74 4.50 -0.04 2.79 0.02 -1.26 -1.64 135.00 141.11 2nxm s PRO 63 Ca 0.38 1.89 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 2nxm s PRO 63 Cb -0.17 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.28 2nxm s PRO 63 CO 0.15 0.06 0.23 -1.50 -0.33 0.00 0.00 177.00 175.60 2nxm s ILE 64 N -1.20 0.05 -0.14 2.83 2.07 0.21 -4.50 121.20 120.51 2nxm s ILE 64 Ca 0.47 -0.38 -0.00 0.00 -1.41 0.00 0.00 60.65 59.32 2nxm s ILE 64 Cb -0.33 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 2nxm s ILE 64 CO 0.43 -0.21 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.43 2nxm s GLU 65 N -0.83 3.40 -0.33 3.50 2.12 -0.12 -0.87 118.70 125.56 2nxm s GLU 65 Ca -0.09 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.58 2nxm s GLU 65 Cb -0.05 -2.66 0.10 0.00 0.26 0.00 0.00 34.13 31.78 2nxm s GLU 65 CO 0.02 0.19 0.09 0.42 -0.54 0.00 0.00 175.26 175.45 2nxm s ILE 66 N 0.41 1.46 -1.30 -3.70 1.01 0.38 -0.99 121.20 118.46 2nxm s ILE 66 Ca -0.10 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.65 2nxm s ILE 66 Cb -0.16 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2nxm s ILE 66 CO 0.05 -0.66 1.02 0.00 0.00 0.00 0.00 174.94 175.34 2nxm n GLY 68 N -1.54 1.43 3.71 0.00 0.00 -1.26 -5.01 105.19 102.52 2nxm n GLY 68 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2nxm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nxm s HIS 69 N -3.41 3.35 -0.08 1.61 4.02 -0.48 -5.07 115.29 115.23 2nxm s HIS 69 Ca 0.00 0.24 -0.24 0.00 1.02 0.00 0.00 55.06 56.08 2nxm s HIS 69 Cb 0.00 -2.05 -0.03 0.00 -1.02 0.00 0.00 32.58 29.48 2nxm s HIS 69 CO 0.00 0.33 0.74 -1.59 1.02 0.00 0.00 174.74 175.24 2nxm s LYS 70 N -0.01 4.42 0.16 1.40 0.00 -1.26 -0.47 119.74 123.98 2nxm s LYS 70 Ca 0.08 0.93 0.06 0.00 0.00 0.00 0.00 55.97 57.04 2nxm s LYS 70 Cb -0.12 -3.47 -0.04 0.00 0.00 0.00 0.00 37.83 34.20 2nxm s LYS 70 CO 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 175.35 175.21 2nxm s ALA 71 N 1.03 1.71 -0.17 0.59 0.00 -0.05 -4.70 121.76 120.17 2nxm s ALA 71 Ca 0.38 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2nxm s ALA 71 Cb -0.18 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 22.96 2nxm s ALA 71 CO 0.18 0.05 0.22 0.42 0.00 0.00 0.00 175.76 176.63 2nxm s ILE 72 N -2.70 -0.32 0.17 0.00 1.01 -1.26 -0.62 121.20 117.48 2nxm s ILE 72 Ca 0.16 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.68 2nxm s ILE 72 Cb -0.02 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 41.91 2nxm s ILE 72 CO 0.04 -0.11 0.65 0.61 0.00 0.00 0.00 174.94 176.13 2nxm n GLY 73 N 5.32 0.97 3.74 6.18 0.00 -0.65 -4.81 105.19 115.94 2nxm n GLY 73 Ca -0.05 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2nxm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxm s THR 74 N -2.27 3.12 -0.05 2.61 2.01 -1.26 -1.70 115.64 118.10 2nxm s THR 74 Ca 0.14 0.91 0.03 0.00 0.31 0.00 0.00 61.69 63.08 2nxm s THR 74 Cb -0.02 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2nxm s THR 74 CO 0.05 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.29 2nxm s VAL 75 N 0.24 1.11 -0.09 3.82 1.01 0.87 -4.56 120.40 122.79 2nxm s VAL 75 Ca 0.58 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2nxm s VAL 75 Cb -0.37 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2nxm s VAL 75 CO 0.38 0.34 -0.07 -0.76 0.00 0.00 0.00 175.10 174.99 2nxm s LEU 76 N 0.37 3.16 -0.13 3.92 1.43 0.43 -1.33 118.68 126.51 2nxm s LEU 76 Ca -0.08 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2nxm s LEU 76 Cb -0.13 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2nxm s LEU 76 CO 0.02 0.31 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 2nxm s VAL 77 N -0.47 2.14 -0.00 -1.59 1.01 -0.39 0.22 120.40 121.31 2nxm s VAL 77 Ca 0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2nxm s VAL 77 Cb -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2nxm s VAL 77 CO 0.02 0.55 0.02 0.61 0.00 0.00 0.00 175.10 176.30 2nxm n GLY 78 N 3.96 0.53 2.30 4.51 0.00 -0.30 -0.93 105.19 115.26 2nxm n GLY 78 Ca -0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2nxm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nxm n PRO 79 N -0.01 1.63 -2.66 1.61 -0.04 -1.26 -3.08 135.00 131.17 2nxm n PRO 79 Ca 0.00 -0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 62.12 2nxm n PRO 79 Cb 0.01 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 2nxm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nxm s THR 80 N 2.20 3.90 0.55 0.52 -1.32 -1.26 -4.97 115.64 115.26 2nxm s THR 80 Ca 0.43 1.85 0.22 0.00 -1.21 0.00 0.00 61.69 62.98 2nxm s THR 80 Cb 0.17 -4.15 0.30 0.00 -1.51 0.00 0.00 72.50 67.32 2nxm s THR 80 CO -0.01 0.39 2.19 1.55 -2.21 0.00 0.00 174.62 176.53 2nxm h PRO 81 N 3.86 0.00 -3.60 7.08 0.13 -1.97 -3.43 132.00 134.06 2nxm h PRO 81 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2nxm h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2nxm h PRO 81 CO 0.67 0.01 -0.56 0.08 -0.23 0.00 0.00 178.00 177.97 2nxm s VAL 82 N -4.85 0.07 0.17 1.56 1.01 -1.26 -5.06 120.40 112.04 2nxm s VAL 82 Ca -0.05 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2nxm s VAL 82 Cb 0.16 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 2nxm s VAL 82 CO 0.62 -0.32 1.44 0.20 0.00 0.00 0.00 175.10 177.04 2nxm s ASN 83 N -1.07 6.73 -0.10 3.32 0.01 -1.26 -4.60 114.94 117.97 2nxm s ASN 83 Ca -0.12 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.52 2nxm s ASN 83 Cb -0.07 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2nxm s ASN 83 CO 0.01 -0.70 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.18 2nxm s ILE 84 N 0.76 1.09 -0.41 0.60 1.01 -0.49 -0.29 121.20 123.48 2nxm s ILE 84 Ca 0.64 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 2nxm s ILE 84 Cb -0.40 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.02 2nxm s ILE 84 CO 0.34 0.37 0.49 -0.63 0.00 0.00 0.00 174.94 175.51 2nxm s ILE 85 N 1.38 5.03 0.66 2.92 -1.09 -0.49 -1.31 121.20 128.30 2nxm s ILE 85 Ca -0.01 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 2nxm s ILE 85 Cb -0.14 -4.05 0.13 0.00 -1.58 0.00 0.00 42.46 36.82 2nxm s ILE 85 CO -0.05 -0.42 0.90 0.61 -1.23 0.00 0.00 174.94 174.76 2nxm n GLY 86 N 5.05 0.60 0.25 6.18 0.00 -1.12 -0.85 105.19 115.30 2nxm n GLY 86 Ca -0.06 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 44.00 2nxm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nxm h ARG 87 N 0.00 0.15 -1.00 1.61 3.08 -1.10 -1.84 114.38 115.28 2nxm h ARG 87 Ca -0.30 -0.02 0.21 0.00 0.07 0.00 0.00 59.98 59.94 2nxm h ARG 87 Cb 1.09 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.01 2nxm h ARG 87 CO 0.32 0.21 0.62 -2.95 -1.07 0.00 0.00 179.97 177.09 2nxm h ASN 88 N 0.15 0.68 0.29 7.04 -1.07 -1.78 -1.55 115.58 119.33 2nxm h ASN 88 Ca 0.04 0.10 -0.21 0.00 0.07 0.00 0.00 56.30 56.29 2nxm h ASN 88 Cb 0.18 -0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 36.37 2nxm h ASN 88 CO 0.01 0.20 -1.91 0.18 0.07 0.00 0.00 177.43 175.99 2nxm n LEU 89 N -4.74 0.37 0.17 6.14 4.77 -0.92 -4.22 117.00 118.57 2nxm n LEU 89 Ca 0.24 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.40 2nxm n LEU 89 Cb 0.66 0.22 0.34 0.00 -2.33 0.00 0.00 43.42 42.31 2nxm n LEU 89 CO 0.22 0.25 0.72 -0.07 -1.33 0.00 0.00 177.39 177.18 2nxm h LEU 90 N 0.00 0.04 -1.12 2.23 3.38 -0.95 -1.31 115.31 117.58 2nxm h LEU 90 Ca -0.27 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2nxm h LEU 90 Cb 1.72 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2nxm h LEU 90 CO 0.03 0.41 -0.43 0.71 0.09 0.00 0.00 178.44 179.25 2nxm h THR 91 N 0.04 1.31 -0.03 0.22 1.35 -1.49 0.18 112.91 114.49 2nxm h THR 91 Ca 0.00 -1.49 -0.17 0.00 -0.55 0.00 0.00 66.41 64.21 2nxm h THR 91 Cb 0.67 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2nxm h THR 91 CO 0.05 0.43 -0.73 1.56 -0.25 0.00 0.00 175.52 176.57 2nxm h GLN 92 N 0.02 0.18 -0.10 4.72 4.20 -1.42 -3.02 115.11 119.69 2nxm h GLN 92 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2nxm h GLN 92 Cb 0.77 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2nxm h GLN 92 CO 0.06 0.83 0.00 0.44 -0.67 0.00 0.00 178.83 179.49 2nxm n ILE 93 N -3.76 0.11 -2.24 2.54 -5.35 -1.07 -4.94 119.36 104.67 2nxm n ILE 93 Ca -0.03 -0.36 -0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2nxm n ILE 93 Cb 0.71 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 2nxm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nxm n GLY 94 N 1.21 0.61 3.73 3.28 0.00 -1.12 -5.03 105.19 107.88 2nxm n GLY 94 Ca 0.17 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2nxm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxm s THR 96 N 0.39 0.99 -0.11 0.00 -4.23 -1.26 -4.70 115.64 106.72 2nxm s THR 96 Ca 0.54 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 2nxm s THR 96 Cb -0.30 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2nxm s THR 96 CO 0.33 -0.75 0.32 -0.76 -0.54 0.00 0.00 174.62 173.22 2nxm s LEU 97 N -3.01 4.32 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.82 2nxm s LEU 97 Ca 0.13 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2nxm s LEU 97 Cb 0.02 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2nxm s LEU 97 CO -0.01 0.17 -0.04 0.20 0.23 0.00 0.00 176.35 176.90 2nxm s ASN 98 N -0.03 0.77 0.00 2.29 0.01 -1.26 -5.29 114.94 111.43 2nxm s ASN 98 Ca 0.19 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 2nxm s ASN 98 Cb -0.14 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.22 2nxm s ASN 98 CO 0.07 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.86