#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxl s GLN 2 N 0.00 3.43 -0.15 -0.52 0.74 -1.26 -5.11 119.66 116.79 2nxl s GLN 2 Ca 0.00 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.77 2nxl s GLN 2 Cb 0.00 -2.68 0.01 0.00 1.10 0.00 0.00 33.01 31.44 2nxl s GLN 2 CO 0.00 0.21 -0.21 0.42 -0.55 0.00 0.00 175.29 175.16 2nxl s ILE 3 N 0.38 2.10 0.57 -2.34 1.01 -1.26 -5.12 121.20 116.55 2nxl s ILE 3 Ca -0.09 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 2nxl s ILE 3 Cb -0.16 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2nxl s ILE 3 CO 0.05 0.55 0.90 0.28 0.00 0.00 0.00 174.94 176.72 2nxl s THR 4 N 0.92 4.13 -0.15 2.92 -1.32 -1.26 -5.02 115.64 115.86 2nxl s THR 4 Ca -0.04 0.21 0.18 0.00 -1.21 0.00 0.00 61.69 60.83 2nxl s THR 4 Cb -0.15 -3.62 0.37 0.00 -1.51 0.00 0.00 72.50 67.58 2nxl s THR 4 CO -0.04 -0.67 1.24 0.18 -2.21 0.00 0.00 174.62 173.11 2nxl n LEU 5 N -2.55 2.84 -0.22 9.08 4.77 -1.26 -4.61 117.00 125.05 2nxl n LEU 5 Ca 0.04 -3.08 0.01 0.00 -0.03 0.00 0.00 56.01 52.95 2nxl n LEU 5 Cb 0.56 -0.47 0.26 0.00 -2.33 0.00 0.00 43.42 41.44 2nxl n LEU 5 CO 0.54 0.71 1.24 -0.50 -1.33 0.00 0.00 177.39 178.04 2nxl h TRP 6 N 0.57 0.93 -2.06 -1.77 4.06 -2.06 -3.43 115.95 112.18 2nxl h TRP 6 Ca 0.00 0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.39 2nxl h TRP 6 Cb 1.14 -0.31 -0.13 0.00 -1.00 0.00 0.00 29.16 28.86 2nxl h TRP 6 CO 0.16 0.57 -0.61 0.15 -3.56 0.00 0.00 178.44 175.15 2nxl s LYS 7 N -5.83 1.84 0.17 0.49 1.02 -1.26 -5.10 119.74 111.07 2nxl s LYS 7 Ca -0.11 -2.03 -0.34 0.00 0.02 0.00 0.00 55.97 53.52 2nxl s LYS 7 Cb 0.18 -1.40 -0.14 0.00 -0.52 0.00 0.00 37.83 35.95 2nxl s LYS 7 CO 0.78 -0.07 1.59 0.54 -0.92 0.00 0.00 175.35 177.27 2nxl n ARG 8 N -0.86 2.21 -2.41 1.68 1.74 -1.26 -4.85 116.66 112.92 2nxl n ARG 8 Ca -0.04 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 2nxl n ARG 8 Cb 0.66 -2.57 -0.00 0.00 -1.02 0.00 0.00 32.46 29.53 2nxl n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2nxl n PRO 9 N 3.42 3.06 -3.36 5.56 -0.04 -1.26 -4.94 135.00 137.45 2nxl n PRO 9 Ca 0.17 -3.13 -0.38 0.00 -0.04 0.00 0.00 63.50 60.12 2nxl n PRO 9 Cb 0.29 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 2nxl n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nxl s LEU 10 N 4.16 4.44 0.20 1.53 1.43 -1.26 -1.06 118.68 128.12 2nxl s LEU 10 Ca 0.54 1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2nxl s LEU 10 Cb 0.05 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2nxl s LEU 10 CO 0.06 0.21 0.10 0.68 0.23 0.00 0.00 176.35 177.63 2nxl s VAL 11 N -0.60 0.20 -0.01 -1.59 -7.23 0.12 -4.93 120.40 106.36 2nxl s VAL 11 Ca 0.27 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 2nxl s VAL 11 Cb -0.17 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2nxl s VAL 11 CO 0.15 -0.12 0.60 -0.89 -0.31 0.00 0.00 175.10 174.52 2nxl s THR 12 N -4.01 4.92 0.27 5.32 2.01 -1.26 -1.00 115.64 121.89 2nxl s THR 12 Ca 0.35 1.25 0.11 0.00 0.31 0.00 0.00 61.69 63.71 2nxl s THR 12 Cb 0.07 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2nxl s THR 12 CO 0.10 0.41 -0.19 0.27 -0.69 0.00 0.00 174.62 174.52 2nxl s ILE 13 N -0.15 2.35 -0.15 1.82 -4.36 -0.38 -1.17 121.20 119.17 2nxl s ILE 13 Ca 0.31 -2.37 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 2nxl s ILE 13 Cb -0.18 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.30 2nxl s ILE 13 CO 0.17 -0.43 -0.15 -0.13 0.24 0.00 0.00 174.94 174.64 2nxl s ARG 14 N -3.53 2.37 -0.01 0.37 3.00 0.41 -1.84 118.95 119.72 2nxl s ARG 14 Ca 0.29 -0.59 0.00 0.00 0.00 0.00 0.00 55.73 55.43 2nxl s ARG 14 Cb -0.04 -2.15 0.01 0.00 0.00 0.00 0.00 34.95 32.77 2nxl s ARG 14 CO 0.14 -0.23 0.00 -1.50 0.00 0.00 0.00 175.30 173.71 2nxl s ILE 15 N 1.45 0.06 0.00 1.52 -1.16 0.17 -1.08 121.20 122.16 2nxl s ILE 15 Ca 0.05 0.05 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2nxl s ILE 15 Cb -0.13 -0.12 0.00 0.00 0.61 0.00 0.00 42.46 42.82 2nxl s ILE 15 CO -0.11 0.07 0.00 0.61 -2.81 0.00 0.00 174.94 172.70 2nxl n GLY 16 N 3.58 2.68 2.74 1.50 0.00 -1.26 -1.09 105.19 113.33 2nxl n GLY 16 Ca -0.19 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2nxl n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxl n GLY 17 N 0.00 5.33 2.96 -0.02 0.00 -1.26 -4.96 105.19 107.25 2nxl n GLY 17 Ca 0.00 -2.32 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 2nxl n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxl s GLN 18 N -3.58 0.11 0.04 1.61 -0.21 -0.25 -5.14 119.66 112.24 2nxl s GLN 18 Ca 0.54 0.16 -0.13 0.00 0.02 0.00 0.00 55.36 55.95 2nxl s GLN 18 Cb 0.43 0.03 -0.06 0.00 1.00 0.00 0.00 33.01 34.41 2nxl s GLN 18 CO -0.32 -0.03 0.41 -0.51 -2.12 0.00 0.00 175.29 172.72 2nxl s LEU 19 N 0.18 4.42 0.06 2.90 1.43 -1.26 -0.65 118.68 125.75 2nxl s LEU 19 Ca -0.01 0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 2nxl s LEU 19 Cb -0.02 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 2nxl s LEU 19 CO -0.00 0.25 0.14 -0.54 0.23 0.00 0.00 176.35 176.43 2nxl s LYS 20 N -1.46 0.72 0.03 1.70 1.02 -0.77 -4.99 119.74 116.00 2nxl s LYS 20 Ca 0.28 -0.87 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 2nxl s LYS 20 Cb -0.15 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 2nxl s LYS 20 CO 0.15 -0.20 0.65 -1.21 -0.92 0.00 0.00 175.35 173.82 2nxl s GLU 21 N -3.28 4.37 0.03 1.68 2.02 -1.26 -1.24 118.70 121.02 2nxl s GLU 21 Ca 0.01 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.86 2nxl s GLU 21 Cb 0.02 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 2nxl s GLU 21 CO -0.08 0.40 -0.04 0.00 0.02 0.00 0.00 175.26 175.56 2nxl s ALA 22 N -0.35 0.31 -0.31 5.21 0.00 -0.17 -4.33 121.76 122.12 2nxl s ALA 22 Ca 0.33 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 2nxl s ALA 22 Cb -0.19 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2nxl s ALA 22 CO 0.20 -0.16 0.36 -1.17 0.00 0.00 0.00 175.76 174.98 2nxl s LEU 23 N -1.76 4.22 -0.39 0.00 0.20 0.11 -0.70 118.68 120.36 2nxl s LEU 23 Ca -0.10 0.03 -0.28 0.00 0.69 0.00 0.00 54.13 54.46 2nxl s LEU 23 Cb -0.07 -2.37 -0.01 0.00 -0.43 0.00 0.00 46.19 43.31 2nxl s LEU 23 CO -0.02 -0.25 1.74 -0.76 -0.29 0.00 0.00 176.35 176.77 2nxl s LEU 24 N 2.04 3.49 -0.44 -0.68 1.43 -0.22 -0.94 118.68 123.35 2nxl s LEU 24 Ca 0.13 1.07 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2nxl s LEU 24 Cb -0.16 -3.36 0.12 0.00 0.03 0.00 0.00 46.19 42.82 2nxl s LEU 24 CO 0.11 -1.77 0.19 0.21 0.23 0.00 0.00 176.35 175.32 2nxl s ASN 25 N 6.03 4.33 0.30 2.29 3.84 -0.18 -4.79 114.94 126.77 2nxl s ASN 25 Ca 0.74 -2.63 0.24 0.00 0.21 0.00 0.00 52.86 51.43 2nxl s ASN 25 Cb -0.19 -1.50 1.09 0.00 -0.55 0.00 0.00 41.25 40.10 2nxl s ASN 25 CO 0.31 -0.29 1.73 0.71 -2.79 0.00 0.00 177.10 176.78 2nxl h THR 26 N 5.84 0.00 -0.45 -5.21 1.35 -1.93 -2.22 112.91 110.30 2nxl h THR 26 Ca -0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2nxl h THR 26 Cb 0.94 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2nxl h THR 26 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 2nxl n GLY 27 N -0.35 1.47 3.08 5.82 0.00 -1.26 -4.84 105.19 109.11 2nxl n GLY 27 Ca 0.01 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2nxl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxl s ALA 28 N -1.53 2.05 0.27 4.61 0.00 -0.83 -5.00 121.76 121.32 2nxl s ALA 28 Ca 0.32 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2nxl s ALA 28 Cb 0.19 -1.05 0.36 0.00 0.00 0.00 0.00 23.12 22.62 2nxl s ALA 28 CO 0.19 -0.26 1.78 -0.44 0.00 0.00 0.00 175.76 177.02 2nxl h ASP 29 N 7.79 0.74 -2.24 0.00 3.32 -1.88 0.13 116.42 124.28 2nxl h ASP 29 Ca -0.38 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 55.91 2nxl h ASP 29 Cb 1.15 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 2nxl h ASP 29 CO 0.56 0.80 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.37 2nxl s ASP 30 N -6.64 3.46 -0.21 6.45 1.01 -1.26 -2.72 116.67 116.75 2nxl s ASP 30 Ca -0.09 -1.16 -0.11 0.00 0.71 0.00 0.00 52.55 51.89 2nxl s ASP 30 Cb 0.15 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 2nxl s ASP 30 CO 0.81 -0.19 0.18 -0.89 0.21 0.00 0.00 175.17 175.29 2nxl s THR 31 N -2.69 5.36 -0.12 -1.27 2.01 -1.26 -3.39 115.64 114.27 2nxl s THR 31 Ca 0.31 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.58 2nxl s THR 31 Cb 0.01 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2nxl s THR 31 CO 0.15 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.69 2nxl s VAL 32 N 0.73 1.07 0.00 3.82 1.01 -0.13 -1.04 120.40 125.86 2nxl s VAL 32 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2nxl s VAL 32 Cb -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2nxl s VAL 32 CO 0.02 0.34 0.03 -0.76 0.00 0.00 0.00 175.10 174.72 2nxl s LEU 33 N 1.68 3.63 0.62 3.92 1.43 0.13 0.13 118.68 130.23 2nxl s LEU 33 Ca 0.04 0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 2nxl s LEU 33 Cb -0.13 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2nxl s LEU 33 CO -0.08 0.27 1.04 -0.62 0.23 0.00 0.00 176.35 177.19 2nxl n GLU 34 N 1.29 0.92 -1.57 1.70 1.02 -1.26 -1.91 120.64 120.83 2nxl n GLU 34 Ca -0.14 0.36 -0.58 0.00 -0.02 0.00 0.00 57.16 56.78 2nxl n GLU 34 Cb 0.53 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 2nxl n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nxl n GLU 35 N -1.29 0.34 -3.60 3.49 4.07 -0.93 -4.61 120.64 118.12 2nxl n GLU 35 Ca 0.14 0.12 -0.16 0.00 -0.06 0.00 0.00 57.16 57.21 2nxl n GLU 35 Cb 0.48 -1.67 -0.07 0.00 -0.06 0.00 0.00 31.44 30.12 2nxl n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nxl s MET 36 N 0.73 0.92 -1.23 5.31 0.23 -1.26 -5.02 119.30 118.98 2nxl s MET 36 Ca 0.92 0.15 -0.07 0.00 -1.03 0.00 0.00 55.69 55.66 2nxl s MET 36 Cb -1.21 0.43 0.19 0.00 -1.53 0.00 0.00 34.83 32.71 2nxl s MET 36 CO 0.58 -0.27 1.94 -1.71 -2.03 0.00 0.00 175.02 173.53 2nxl n ASN 37 N 1.11 6.33 -4.76 -1.18 4.05 -1.26 -4.98 115.26 114.57 2nxl n ASN 37 Ca -0.20 -3.23 -0.41 0.00 0.45 0.00 0.00 54.58 51.20 2nxl n ASN 37 Cb 0.57 -1.38 -0.02 0.00 1.23 0.00 0.00 39.78 40.17 2nxl n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2nxl s LEU 38 N -1.54 4.42 0.86 1.20 1.43 -1.26 -5.04 118.68 118.74 2nxl s LEU 38 Ca 0.42 2.67 -0.13 0.00 -1.03 0.00 0.00 54.13 56.06 2nxl s LEU 38 Cb 0.12 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.81 2nxl s LEU 38 CO -0.01 -0.57 1.18 -2.16 0.23 0.00 0.00 176.35 175.02 2nxl s PRO 39 N -1.42 1.57 0.00 1.29 0.04 -1.26 -4.99 135.00 130.23 2nxl s PRO 39 Ca 0.51 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2nxl s PRO 39 Cb -0.40 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2nxl s PRO 39 CO 0.50 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2nxl n GLY 40 N -3.03 2.63 3.77 0.56 0.00 -1.26 -5.03 105.19 102.83 2nxl n GLY 40 Ca 0.08 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 2nxl n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nxl s LYS 41 N -3.16 3.11 0.13 1.61 3.01 -1.26 -5.06 119.74 118.13 2nxl s LYS 41 Ca 0.00 1.65 -0.11 0.00 -1.01 0.00 0.00 55.97 56.50 2nxl s LYS 41 Cb 0.00 -1.97 0.00 0.00 -1.01 0.00 0.00 37.83 34.86 2nxl s LYS 41 CO 0.00 -1.05 0.29 1.67 0.51 0.00 0.00 175.35 176.77 2nxl s TRP 42 N -1.82 0.18 -0.01 3.18 1.48 -1.26 -4.63 118.94 116.06 2nxl s TRP 42 Ca 0.73 -0.56 0.07 0.00 -1.06 0.00 0.00 56.10 55.28 2nxl s TRP 42 Cb -0.25 0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.06 2nxl s TRP 42 CO 0.32 -0.67 -0.22 0.15 -4.06 0.00 0.00 176.95 172.47 2nxl s LYS 43 N -3.90 1.73 0.49 3.25 -0.14 -0.45 -4.91 119.74 115.81 2nxl s LYS 43 Ca 0.10 -0.79 -0.22 0.00 -1.36 0.00 0.00 55.97 53.71 2nxl s LYS 43 Cb 0.03 -1.69 -0.07 0.00 -1.68 0.00 0.00 37.83 34.43 2nxl s LYS 43 CO -0.06 0.46 1.13 -1.25 -0.76 0.00 0.00 175.35 174.88 2nxl s PRO 44 N -0.56 3.64 0.06 -1.68 0.04 -1.26 -0.22 135.00 135.02 2nxl s PRO 44 Ca 0.08 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 2nxl s PRO 44 Cb -0.08 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2nxl s PRO 44 CO -0.01 -0.62 0.24 0.21 0.04 0.00 0.00 177.00 176.86 2nxl s LYS 45 N -2.93 0.80 -0.09 4.56 2.20 -0.66 -4.85 119.74 118.77 2nxl s LYS 45 Ca 0.67 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 2nxl s LYS 45 Cb -0.25 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2nxl s LYS 45 CO 0.30 -0.25 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.18 2nxl s MET 46 N -3.08 2.78 0.07 4.03 -1.94 -1.26 -1.11 119.30 118.79 2nxl s MET 46 Ca -0.01 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.26 2nxl s MET 46 Cb 0.01 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 2nxl s MET 46 CO -0.07 0.17 -0.25 0.96 -0.01 0.00 0.00 175.02 175.82 2nxl s ILE 47 N 0.36 2.03 -0.10 2.53 -4.36 -0.54 -4.95 121.20 116.18 2nxl s ILE 47 Ca -0.17 -1.45 -0.05 0.00 -0.26 0.00 0.00 60.65 58.71 2nxl s ILE 47 Cb -0.17 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 2nxl s ILE 47 CO 0.08 0.23 0.12 -0.83 0.24 0.00 0.00 174.94 174.78 2nxl s GLY 48 N -1.47 2.11 0.06 6.27 0.00 -1.26 -1.45 107.32 111.58 2nxl s GLY 48 Ca 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2nxl s GLY 48 CO 0.03 -0.45 0.01 0.61 0.00 0.00 0.00 173.10 173.30 2nxl n GLY 49 N 1.85 4.04 0.32 0.20 0.00 0.26 -4.99 105.19 106.86 2nxl n GLY 49 Ca -0.18 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.86 2nxl n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2nxl h ILE 50 N 1.07 1.03 -0.00 -0.61 3.07 -2.02 -2.85 117.51 117.19 2nxl h ILE 50 Ca -0.04 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2nxl h ILE 50 Cb 0.16 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.26 2nxl h ILE 50 CO 0.07 0.08 -0.52 0.61 -1.05 0.00 0.00 178.15 177.34 2nxl n GLY 51 N -1.50 -0.88 0.00 0.16 0.00 -1.26 -5.06 105.19 96.65 2nxl n GLY 51 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2nxl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxl n GLY 52 N 1.45 0.85 3.82 -0.02 0.00 -1.08 -5.12 105.19 105.09 2nxl n GLY 52 Ca 0.07 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 2nxl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nxl s PHE 53 N -3.07 3.22 0.13 1.61 0.40 -1.26 -0.58 117.98 118.43 2nxl s PHE 53 Ca 0.00 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.41 2nxl s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2nxl s PHE 53 CO 0.00 0.52 -0.13 0.96 0.70 0.00 0.00 175.22 177.27 2nxl s ILE 54 N -1.71 1.32 0.01 0.64 -4.36 -0.53 -4.97 121.20 111.61 2nxl s ILE 54 Ca 0.31 -1.78 -0.22 0.00 -0.26 0.00 0.00 60.65 58.70 2nxl s ILE 54 Cb -0.10 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2nxl s ILE 54 CO 0.24 -0.47 0.65 -1.59 0.24 0.00 0.00 174.94 174.01 2nxl s LYS 55 N -2.86 4.37 0.17 0.37 0.00 -1.26 -1.47 119.74 119.07 2nxl s LYS 55 Ca 0.10 0.84 0.01 0.00 0.00 0.00 0.00 55.97 56.92 2nxl s LYS 55 Cb -0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 37.83 34.40 2nxl s LYS 55 CO 0.03 0.34 0.03 0.14 0.00 0.00 0.00 175.35 175.89 2nxl s VAL 56 N -0.14 0.47 -0.22 1.79 -7.23 -0.27 -4.50 120.40 110.30 2nxl s VAL 56 Ca 0.33 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.47 2nxl s VAL 56 Cb -0.19 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2nxl s VAL 56 CO 0.19 -0.39 0.07 -0.13 -0.31 0.00 0.00 175.10 174.52 2nxl s ARG 57 N -3.98 3.81 -0.31 4.82 0.52 0.03 -1.65 118.95 122.19 2nxl s ARG 57 Ca 0.26 -0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 2nxl s ARG 57 Cb 0.07 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 2nxl s ARG 57 CO 0.05 0.04 0.42 -1.14 0.02 0.00 0.00 175.30 174.69 2nxl s GLN 58 N 1.00 3.81 -0.16 3.54 0.74 0.70 -0.89 119.66 128.39 2nxl s GLN 58 Ca 0.04 -0.10 -0.04 0.00 0.05 0.00 0.00 55.36 55.31 2nxl s GLN 58 Cb -0.14 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2nxl s GLN 58 CO 0.03 -0.44 -0.02 0.71 -0.55 0.00 0.00 175.29 175.02 2nxl s TYR 59 N 2.17 3.07 0.19 1.67 1.51 -0.03 -1.34 117.35 124.58 2nxl s TYR 59 Ca 0.16 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 2nxl s TYR 59 Cb -0.16 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2nxl s TYR 59 CO 0.11 -0.01 0.29 -0.51 -1.11 0.00 0.00 175.55 174.32 2nxl s ASP 60 N 0.40 6.19 -1.42 2.29 1.01 -1.26 -0.49 116.67 123.38 2nxl s ASP 60 Ca -0.03 0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.26 2nxl s ASP 60 Cb -0.14 -1.81 0.03 0.00 1.01 0.00 0.00 42.92 42.02 2nxl s ASP 60 CO 0.02 0.00 0.70 0.00 0.21 0.00 0.00 175.17 176.10 2nxl n GLN 61 N -0.90 -4.48 -3.60 8.23 1.13 -1.14 -4.91 117.38 111.72 2nxl n GLN 61 Ca -0.08 0.53 -0.37 0.00 -1.94 0.00 0.00 57.00 55.14 2nxl n GLN 61 Cb 0.55 -5.07 -0.10 0.00 0.11 0.00 0.00 30.24 25.73 2nxl n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2nxl s ILE 62 N -3.63 5.32 0.34 5.09 -1.09 0.03 -4.74 121.20 122.52 2nxl s ILE 62 Ca 0.22 0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 58.59 2nxl s ILE 62 Cb -0.11 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.13 2nxl s ILE 62 CO 0.85 0.29 1.30 -2.84 -1.23 0.00 0.00 174.94 173.31 2nxl s PRO 63 N 1.44 4.31 -0.19 2.79 0.02 -1.26 -1.74 135.00 140.36 2nxl s PRO 63 Ca 0.08 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 2nxl s PRO 63 Cb -0.15 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.41 2nxl s PRO 63 CO 0.08 -0.22 0.47 -1.50 -0.33 0.00 0.00 177.00 175.50 2nxl s ILE 64 N -1.16 -0.06 -0.15 2.83 2.07 -0.22 -4.37 121.20 120.13 2nxl s ILE 64 Ca 0.50 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.77 2nxl s ILE 64 Cb -0.39 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 2nxl s ILE 64 CO 0.52 0.03 0.01 -0.70 -1.91 0.00 0.00 174.94 172.89 2nxl s GLU 65 N 1.53 3.69 -0.27 3.50 2.12 -0.24 -0.63 118.70 128.40 2nxl s GLU 65 Ca -0.09 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.84 2nxl s GLU 65 Cb -0.08 -3.02 0.07 0.00 0.26 0.00 0.00 34.13 31.36 2nxl s GLU 65 CO -0.14 0.33 -0.06 0.42 -0.54 0.00 0.00 175.26 175.27 2nxl s ILE 66 N 0.15 2.03 -1.46 -3.70 1.01 0.92 -0.44 121.20 119.71 2nxl s ILE 66 Ca 0.02 -1.68 -0.12 0.00 0.00 0.00 0.00 60.65 58.86 2nxl s ILE 66 Cb -0.13 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.15 2nxl s ILE 66 CO 0.02 -0.17 1.07 0.00 0.00 0.00 0.00 174.94 175.86 2nxl n GLY 68 N -1.82 2.12 3.63 0.00 0.00 -1.26 -5.02 105.19 102.84 2nxl n GLY 68 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2nxl n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nxl s HIS 69 N -2.40 3.30 0.23 1.61 4.02 -0.34 -5.06 115.29 116.66 2nxl s HIS 69 Ca 0.00 0.56 -0.30 0.00 1.02 0.00 0.00 55.06 56.34 2nxl s HIS 69 Cb 0.00 -2.60 -0.09 0.00 -1.02 0.00 0.00 32.58 28.87 2nxl s HIS 69 CO 0.00 -0.16 0.97 0.15 1.02 0.00 0.00 174.74 176.71 2nxl s LYS 70 N 1.86 4.81 0.18 1.40 1.02 -1.26 -0.06 119.74 127.70 2nxl s LYS 70 Ca 0.18 1.53 -0.04 0.00 0.02 0.00 0.00 55.97 57.67 2nxl s LYS 70 Cb -0.15 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2nxl s LYS 70 CO 0.09 0.44 0.17 0.00 -0.92 0.00 0.00 175.35 175.14 2nxl s ALA 71 N -1.05 0.74 -0.19 5.17 0.00 0.20 -4.84 121.76 121.79 2nxl s ALA 71 Ca 0.42 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 2nxl s ALA 71 Cb -0.27 1.12 0.06 0.00 0.00 0.00 0.00 23.12 24.03 2nxl s ALA 71 CO 0.33 -0.60 0.48 -1.50 0.00 0.00 0.00 175.76 174.46 2nxl s ILE 72 N -4.08 -0.01 -1.00 0.00 2.07 -1.26 -1.06 121.20 115.85 2nxl s ILE 72 Ca 0.29 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2nxl s ILE 72 Cb 0.06 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2nxl s ILE 72 CO 0.07 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2nxl n GLY 73 N 3.77 -0.91 3.70 1.50 0.00 -0.71 -4.85 105.19 107.69 2nxl n GLY 73 Ca -0.19 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2nxl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxl s THR 74 N -3.00 4.87 -0.10 2.61 2.01 -1.26 -0.79 115.64 119.98 2nxl s THR 74 Ca 0.00 1.96 0.03 0.00 0.31 0.00 0.00 61.69 63.99 2nxl s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2nxl s THR 74 CO 0.00 0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.19 2nxl s VAL 75 N 1.30 1.63 -0.13 3.82 1.01 0.35 -4.51 120.40 123.88 2nxl s VAL 75 Ca 0.49 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2nxl s VAL 75 Cb -0.20 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2nxl s VAL 75 CO 0.24 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 175.18 2nxl s LEU 76 N 0.71 4.36 -0.08 3.92 1.43 -0.21 -0.85 118.68 127.96 2nxl s LEU 76 Ca -0.12 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2nxl s LEU 76 Cb -0.16 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 2nxl s LEU 76 CO 0.03 0.38 -0.22 -0.69 0.23 0.00 0.00 176.35 176.07 2nxl s VAL 77 N -0.82 1.89 0.00 -1.59 1.01 -0.07 0.18 120.40 121.00 2nxl s VAL 77 Ca 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2nxl s VAL 77 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2nxl s VAL 77 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2nxl n GLY 78 N 3.44 0.44 2.54 4.51 0.00 -0.80 -0.79 105.19 114.52 2nxl n GLY 78 Ca -0.19 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2nxl n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nxl n PRO 79 N 0.00 3.59 -3.29 1.61 -0.04 -1.26 -2.19 135.00 133.42 2nxl n PRO 79 Ca 0.00 -2.71 -0.36 0.00 -0.04 0.00 0.00 63.50 60.39 2nxl n PRO 79 Cb 0.00 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 2nxl n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2nxl s THR 80 N 1.69 4.78 -1.05 0.52 -1.32 -1.26 -5.00 115.64 113.99 2nxl s THR 80 Ca 0.56 0.99 0.23 0.00 -1.21 0.00 0.00 61.69 62.27 2nxl s THR 80 Cb 0.16 -3.79 0.22 0.00 -1.51 0.00 0.00 72.50 67.57 2nxl s THR 80 CO -0.07 0.29 1.74 -0.81 -2.21 0.00 0.00 174.62 173.57 2nxl n PRO 81 N 0.95 0.04 -3.81 7.08 -0.04 -1.26 -4.52 135.00 133.44 2nxl n PRO 81 Ca -0.06 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 2nxl n PRO 81 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2nxl n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2nxl s VAL 82 N -2.95 0.03 0.11 0.52 0.11 -1.26 -5.05 120.40 111.91 2nxl s VAL 82 Ca 0.12 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.64 2nxl s VAL 82 Cb 0.15 -0.39 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 2nxl s VAL 82 CO 0.42 -0.12 1.28 0.20 -3.33 0.00 0.00 175.10 173.54 2nxl s ASN 83 N -0.42 6.97 -0.18 3.54 0.01 -1.26 -4.50 114.94 119.10 2nxl s ASN 83 Ca -0.05 2.20 0.01 0.00 -0.71 0.00 0.00 52.86 54.31 2nxl s ASN 83 Cb -0.03 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 39.07 2nxl s ASN 83 CO 0.01 -0.52 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.30 2nxl s ILE 84 N 0.80 1.80 -0.32 0.60 1.01 0.12 0.08 121.20 125.29 2nxl s ILE 84 Ca 0.60 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 2nxl s ILE 84 Cb -0.33 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2nxl s ILE 84 CO 0.32 0.35 0.62 -0.63 0.00 0.00 0.00 174.94 175.60 2nxl s ILE 85 N 1.36 4.94 0.62 2.92 -1.09 -0.12 -0.96 121.20 128.88 2nxl s ILE 85 Ca 0.02 0.77 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2nxl s ILE 85 Cb -0.15 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.82 2nxl s ILE 85 CO -0.10 -0.17 0.85 -0.83 -1.23 0.00 0.00 174.94 173.46 2nxl s GLY 86 N 1.68 1.77 0.44 6.18 0.00 -1.22 -1.01 107.32 115.16 2nxl s GLY 86 Ca 0.24 -1.87 0.17 0.00 0.00 0.00 0.00 44.72 43.27 2nxl s GLY 86 CO 0.12 -1.40 1.92 3.21 0.00 0.00 0.00 173.10 176.95 2nxl h ARG 87 N -0.07 0.36 -0.87 2.90 3.08 -0.77 -1.52 114.38 117.48 2nxl h ARG 87 Ca -0.34 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 59.85 2nxl h ARG 87 Cb 1.28 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.18 2nxl h ARG 87 CO 0.42 0.24 0.57 -2.95 -1.07 0.00 0.00 179.97 177.17 2nxl h ASN 88 N 0.37 0.56 0.07 7.04 -1.07 -1.77 -2.02 115.58 118.75 2nxl h ASN 88 Ca 0.37 0.04 -0.36 0.00 0.07 0.00 0.00 56.30 56.42 2nxl h ASN 88 Cb 0.91 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 37.02 2nxl h ASN 88 CO -0.11 0.27 -2.29 0.18 0.07 0.00 0.00 177.43 175.54 2nxl n LEU 89 N -4.55 0.37 -0.16 6.14 4.77 -0.74 -4.25 117.00 118.59 2nxl n LEU 89 Ca 0.18 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2nxl n LEU 89 Cb 0.54 0.33 0.31 0.00 -2.33 0.00 0.00 43.42 42.27 2nxl n LEU 89 CO 0.30 0.52 1.22 -0.07 -1.33 0.00 0.00 177.39 178.03 2nxl h LEU 90 N 0.00 0.73 -0.86 2.23 3.38 -1.01 -1.20 115.31 118.59 2nxl h LEU 90 Ca -0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2nxl h LEU 90 Cb 2.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 2nxl h LEU 90 CO 0.03 0.52 0.50 0.71 0.09 0.00 0.00 178.44 180.29 2nxl h THR 91 N 0.86 1.24 0.00 0.22 1.35 -1.58 -1.80 112.91 113.20 2nxl h THR 91 Ca 0.26 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 65.53 2nxl h THR 91 Cb -0.02 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.45 2nxl h THR 91 CO -0.06 0.26 -0.18 1.56 -0.25 0.00 0.00 175.52 176.84 2nxl h GLN 92 N 1.18 0.00 -0.43 4.72 4.20 -1.40 -2.11 115.11 121.26 2nxl h GLN 92 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2nxl h GLN 92 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2nxl h GLN 92 CO -0.06 0.18 0.00 0.44 -0.67 0.00 0.00 178.83 178.72 2nxl n ILE 93 N -4.07 0.57 -2.37 2.54 -5.35 -1.03 -4.94 119.36 104.71 2nxl n ILE 93 Ca -0.02 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.69 2nxl n ILE 93 Cb 0.26 0.57 0.01 0.00 -1.74 0.00 0.00 39.64 38.73 2nxl n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nxl n GLY 94 N 1.38 0.05 3.71 3.28 0.00 -0.79 -5.00 105.19 107.82 2nxl n GLY 94 Ca 0.19 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2nxl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxl s THR 96 N 1.16 1.93 -0.09 0.00 -4.23 -1.26 -4.70 115.64 108.44 2nxl s THR 96 Ca 0.45 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 2nxl s THR 96 Cb -0.19 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 2nxl s THR 96 CO 0.22 -0.46 0.15 -0.76 -0.54 0.00 0.00 174.62 173.23 2nxl s LEU 97 N -3.41 4.37 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.48 2nxl s LEU 97 Ca 0.26 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2nxl s LEU 97 Cb -0.01 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2nxl s LEU 97 CO 0.10 0.37 0.07 0.20 0.23 0.00 0.00 176.35 177.33 2nxl s ASN 98 N -1.24 -0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.55 2nxl s ASN 98 Ca 0.18 0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2nxl s ASN 98 Cb -0.12 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.15 2nxl s ASN 98 CO 0.07 -0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.71