#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr s ARG 3 N 0.00 1.57 0.37 0.54 0.52 -1.26 -5.19 118.95 115.51 1xnr s ARG 3 Ca 0.00 -1.04 0.07 0.00 -0.52 0.00 0.00 55.73 54.25 1xnr s ARG 3 Cb 0.00 0.53 -0.07 0.00 0.52 0.00 0.00 34.95 35.93 1xnr s ARG 3 CO 0.00 -0.68 -0.03 -1.54 0.02 0.00 0.00 175.30 173.07 1xnr s SER 4 N -2.94 3.57 0.00 0.23 1.04 -1.26 -5.07 113.70 109.27 1xnr s SER 4 Ca 0.14 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1xnr s SER 4 Cb -0.03 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1xnr s SER 4 CO 0.04 -0.38 0.00 0.18 0.98 0.00 0.00 173.24 174.07 1xnr n LEU 5 N -0.85 -0.49 0.03 2.42 4.77 -1.26 -5.09 117.00 116.53 1xnr n LEU 5 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1xnr n LEU 5 Cb 0.65 0.93 0.00 0.00 -2.33 0.00 0.00 43.42 42.67 1xnr n LEU 5 CO 0.46 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.81 1xnr n LYS 6 N -1.01 0.00 -3.43 3.23 4.01 -1.26 -5.03 118.16 114.68 1xnr n LYS 6 Ca 0.00 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.36 1xnr n LYS 6 Cb 0.00 -0.04 -0.07 0.00 -0.51 0.00 0.00 35.03 34.40 1xnr n LYS 6 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1xnr s LYS 7 N -1.24 2.80 0.00 1.97 1.02 -1.26 -4.86 119.74 118.17 1xnr s LYS 7 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.38 1xnr s LYS 7 Cb 0.00 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1xnr s LYS 7 CO 0.00 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 1xnr n GLY 8 N 5.10 1.05 0.00 -3.33 0.00 -1.26 -5.11 105.19 101.65 1xnr n GLY 8 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1xnr n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xnr n VAL 9 N 2.65 0.00 -3.65 1.61 0.31 -1.26 -5.01 118.33 112.99 1xnr n VAL 9 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1xnr n VAL 9 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1xnr n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1xnr s PHE 10 N 0.00 -0.37 -0.26 3.52 5.36 -1.26 -5.06 117.98 119.91 1xnr s PHE 10 Ca 0.00 0.77 -0.08 0.00 -0.96 0.00 0.00 56.93 56.66 1xnr s PHE 10 Cb 0.00 0.28 0.12 0.00 -0.34 0.00 0.00 43.02 43.08 1xnr s PHE 10 CO 0.00 -0.18 0.56 0.08 -1.46 0.00 0.00 175.22 174.22 1xnr s VAL 11 N 0.94 -0.87 0.02 3.12 1.01 -1.26 -0.95 120.40 122.41 1xnr s VAL 11 Ca -0.05 0.06 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 1xnr s VAL 11 Cb -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 36.38 35.34 1xnr s VAL 11 CO -0.12 0.02 1.72 0.47 0.00 0.00 0.00 175.10 177.19 1xnr n ASP 12 N 5.43 3.17 -0.10 3.32 9.92 -1.26 -4.80 116.55 132.23 1xnr n ASP 12 Ca -0.10 1.03 -0.07 0.00 -0.53 0.00 0.00 54.79 55.12 1xnr n ASP 12 Cb 0.49 -1.38 -0.01 0.00 -0.64 0.00 0.00 41.12 39.59 1xnr n ASP 12 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1xnr h ASP 13 N 7.53 -0.91 -1.16 -2.24 2.03 -1.99 -2.30 116.42 117.37 1xnr h ASP 13 Ca -0.47 0.17 0.43 0.00 -0.73 0.00 0.00 57.03 56.43 1xnr h ASP 13 Cb 1.27 0.44 -0.14 0.00 -0.83 0.00 0.00 39.33 40.06 1xnr h ASP 13 CO 0.92 -0.29 0.71 0.00 -1.03 0.00 0.00 179.24 179.54 1xnr n HIS 14 N -5.40 0.82 -0.02 4.15 1.44 -1.26 0.14 115.22 115.09 1xnr n HIS 14 Ca 0.01 0.82 -0.18 0.00 -2.01 0.00 0.00 57.72 56.37 1xnr n HIS 14 Cb 0.32 -1.25 -0.14 0.00 0.12 0.00 0.00 29.99 29.04 1xnr n HIS 14 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1xnr n LEU 15 N -4.78 2.16 -0.17 2.39 -0.00 -1.12 -1.96 117.00 113.53 1xnr n LEU 15 Ca 0.37 0.22 0.22 0.00 -0.00 0.00 0.00 56.01 56.82 1xnr n LEU 15 Cb 1.37 -0.74 0.62 0.00 -0.00 0.00 0.00 43.42 44.68 1xnr n LEU 15 CO 0.11 0.74 1.23 0.25 -0.00 0.00 0.00 177.39 179.72 1xnr h LEU 16 N 0.05 0.18 0.00 1.47 5.85 0.18 1.10 115.31 124.14 1xnr h LEU 16 Ca -0.41 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1xnr h LEU 16 Cb 2.03 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 1xnr h LEU 16 CO 0.07 0.08 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.61 1xnr h GLU 17 N 0.18 0.00 -0.72 1.25 5.08 0.72 -3.21 114.58 117.89 1xnr h GLU 17 Ca 0.40 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.97 1xnr h GLU 17 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1xnr h GLU 17 CO -0.08 0.00 0.82 -0.22 -1.00 0.00 0.00 179.01 178.53 1xnr h LYS 18 N -1.00 0.00 0.02 2.33 3.64 -0.72 0.19 116.57 121.03 1xnr h LYS 18 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xnr h LYS 18 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1xnr h LYS 18 CO -0.00 0.00 -0.12 -0.24 -2.27 0.00 0.00 179.45 176.82 1xnr h VAL 19 N 0.00 1.75 -0.59 2.00 3.04 0.11 -3.30 116.25 119.26 1xnr h VAL 19 Ca 0.34 -2.37 -0.05 0.00 -1.01 0.00 0.00 66.70 63.61 1xnr h VAL 19 Cb 1.98 3.36 -0.03 0.00 -2.01 0.00 0.00 31.29 34.59 1xnr h VAL 19 CO -0.00 0.62 0.19 0.17 -1.01 0.00 0.00 177.57 177.53 1xnr h LEU 20 N -0.92 0.86 -0.53 3.16 8.10 -0.72 -0.58 115.31 124.69 1xnr h LEU 20 Ca -0.02 -0.21 0.09 0.00 0.11 0.00 0.00 57.88 57.85 1xnr h LEU 20 Cb 1.09 -0.23 -0.07 0.00 -0.44 0.00 0.00 40.66 41.01 1xnr h LEU 20 CO 0.02 0.84 0.11 -0.33 -4.11 0.00 0.00 178.44 174.97 1xnr h GLU 21 N 0.84 0.24 0.00 0.17 5.08 -1.18 0.49 114.58 120.22 1xnr h GLU 21 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xnr h GLU 21 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xnr h GLU 21 CO -0.01 0.16 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.05 1xnr h LEU 22 N 0.24 0.00 -0.89 1.33 3.38 -1.61 -2.92 115.31 114.85 1xnr h LEU 22 Ca 0.27 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 1xnr h LEU 22 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1xnr h LEU 22 CO -0.35 0.00 -0.53 -1.13 0.09 0.00 0.00 178.44 176.53 1xnr h ASN 23 N 0.00 0.00 1.86 -0.43 -1.24 0.69 -2.69 115.58 113.78 1xnr h ASN 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1xnr h ASN 23 Cb 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 1xnr h ASN 23 CO 0.00 0.53 -0.09 0.00 -1.29 0.00 0.00 177.43 176.58 1xnr h ALA 24 N 1.47 0.95 -3.00 1.57 0.00 -0.90 -3.45 119.26 115.90 1xnr h ALA 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xnr h ALA 24 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xnr h ALA 24 CO 0.07 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1xnr n LYS 25 N -2.98 3.52 0.03 0.00 5.02 -1.01 -5.00 118.16 117.73 1xnr n LYS 25 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1xnr n LYS 25 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.39 1xnr n LYS 25 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1xnr h GLY 26 N 0.00 0.30 0.00 0.72 0.00 -1.88 -3.50 103.07 98.71 1xnr h GLY 26 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1xnr h GLY 26 CO 0.00 0.68 0.00 1.18 0.00 0.00 0.00 176.54 178.40 1xnr n GLU 27 N -4.12 0.00 0.00 4.80 -0.58 -1.24 -5.03 120.64 114.47 1xnr n GLU 27 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1xnr n GLU 27 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.68 1xnr n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xnr n LYS 28 N 0.00 -1.28 -3.58 3.49 3.00 -1.26 -4.62 118.16 113.91 1xnr n LYS 28 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1xnr n LYS 28 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 1xnr n LYS 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xnr s ARG 29 N -2.00 0.11 0.46 1.64 0.52 -1.26 -4.88 118.95 113.54 1xnr s ARG 29 Ca 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1xnr s ARG 29 Cb 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1xnr s ARG 29 CO 0.00 -0.53 0.00 1.28 0.02 0.00 0.00 175.30 176.07 1xnr n LEU 30 N 5.31 -1.38 -3.30 2.53 4.32 -1.20 -4.97 117.00 118.32 1xnr n LEU 30 Ca -0.05 2.26 -0.22 0.00 -0.02 0.00 0.00 56.01 57.97 1xnr n LEU 30 Cb 0.50 -2.24 -0.08 0.00 -1.62 0.00 0.00 43.42 39.97 1xnr n LEU 30 CO 0.07 -0.55 -0.22 -0.63 -1.22 0.00 0.00 177.39 174.84 1xnr s ILE 31 N -4.93 -0.01 -0.50 -0.08 -1.09 -0.99 -4.93 121.20 108.67 1xnr s ILE 31 Ca 0.00 -1.99 -0.31 0.00 -2.23 0.00 0.00 60.65 56.12 1xnr s ILE 31 Cb 0.00 -0.94 -0.12 0.00 -1.58 0.00 0.00 42.46 39.82 1xnr s ILE 31 CO 0.00 -0.91 2.35 0.29 -1.23 0.00 0.00 174.94 175.45 1xnr n LYS 32 N 3.25 0.92 -4.19 2.79 4.76 -1.26 -3.22 118.16 121.21 1xnr n LYS 32 Ca 0.23 0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 55.67 1xnr n LYS 32 Cb 0.47 -2.62 -0.13 0.00 -1.84 0.00 0.00 35.03 30.92 1xnr n LYS 32 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1xnr s THR 33 N 9.12 0.77 -0.18 -0.18 -1.32 -1.14 -5.01 115.64 117.70 1xnr s THR 33 Ca 1.11 -0.92 0.16 0.00 -1.21 0.00 0.00 61.69 60.83 1xnr s THR 33 Cb -0.70 -0.74 0.43 0.00 -1.51 0.00 0.00 72.50 69.97 1xnr s THR 33 CO 0.42 -0.14 1.31 0.79 -2.21 0.00 0.00 174.62 174.78 1xnr n TRP 34 N 1.87 0.52 -3.19 9.09 8.01 -1.26 -2.31 117.44 130.17 1xnr n TRP 34 Ca -0.19 -1.09 -0.34 0.00 -1.31 0.00 0.00 57.50 54.57 1xnr n TRP 34 Cb 0.55 -0.27 -0.04 0.00 -2.01 0.00 0.00 31.31 29.54 1xnr n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xnr n SER 35 N -1.01 5.04 0.11 -0.99 2.88 -1.26 -4.69 113.62 113.69 1xnr n SER 35 Ca 0.21 -3.47 0.12 0.00 -1.33 0.00 0.00 58.87 54.40 1xnr n SER 35 Cb 0.80 -0.92 0.46 0.00 -0.75 0.00 0.00 64.21 63.80 1xnr n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1xnr n ARG 36 N 0.90 0.19 0.32 -1.46 1.85 -1.26 -2.04 116.66 115.16 1xnr n ARG 36 Ca 0.29 0.32 0.19 0.00 -1.00 0.00 0.00 57.85 57.66 1xnr n ARG 36 Cb 0.37 -1.80 1.06 0.00 -1.05 0.00 0.00 32.46 31.04 1xnr n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xnr h ARG 37 N 0.00 0.00 -7.32 2.89 2.47 -1.99 -3.28 114.38 107.15 1xnr h ARG 37 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 1xnr h ARG 37 Cb 0.48 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.96 1xnr h ARG 37 CO 0.00 0.01 0.24 -1.12 0.56 0.00 0.00 179.97 179.65 1xnr s SER 38 N -5.64 3.35 0.31 7.04 0.01 -0.86 -4.88 113.70 113.01 1xnr s SER 38 Ca -0.05 1.55 0.08 0.00 1.31 0.00 0.00 55.95 58.84 1xnr s SER 38 Cb 0.14 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1xnr s SER 38 CO 0.48 -2.72 0.15 -0.89 0.41 0.00 0.00 173.24 170.67 1xnr s THR 39 N -2.89 3.48 -0.20 1.44 2.01 -0.13 -3.42 115.64 115.93 1xnr s THR 39 Ca 0.64 -1.63 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1xnr s THR 39 Cb -0.19 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1xnr s THR 39 CO 0.57 -0.25 0.09 -0.63 -0.69 0.00 0.00 174.62 173.71 1xnr s ILE 40 N -2.33 4.92 0.03 1.82 1.01 -1.08 -4.80 121.20 120.77 1xnr s ILE 40 Ca 0.36 0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1xnr s ILE 40 Cb -0.05 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1xnr s ILE 40 CO 0.23 0.43 -0.09 0.68 0.00 0.00 0.00 174.94 176.19 1xnr s VAL 41 N 0.61 3.47 0.55 2.92 -7.23 -1.26 -2.47 120.40 117.00 1xnr s VAL 41 Ca 0.05 -0.93 0.50 0.00 -1.81 0.00 0.00 61.98 59.79 1xnr s VAL 41 Cb -0.13 -2.52 0.74 0.00 0.56 0.00 0.00 36.38 35.03 1xnr s VAL 41 CO 0.01 0.33 1.55 -2.65 -0.31 0.00 0.00 175.10 174.03 1xnr n PRO 42 N 1.39 0.00 0.00 4.82 -0.02 -1.26 0.75 135.00 140.68 1xnr n PRO 42 Ca -0.15 1.08 0.11 0.00 -2.02 0.00 0.00 63.50 62.52 1xnr n PRO 42 Cb 0.52 -2.49 0.68 0.00 -0.02 0.00 0.00 33.50 32.19 1xnr n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xnr n GLU 43 N -3.90 0.77 -0.04 -0.52 0.00 -1.26 -2.84 120.64 112.85 1xnr n GLU 43 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.54 1xnr n GLU 43 Cb 2.01 -1.46 -0.14 0.00 0.00 0.00 0.00 31.44 31.85 1xnr n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1xnr n MET 44 N -0.96 0.65 -1.27 3.44 2.81 0.23 -4.89 117.12 117.13 1xnr n MET 44 Ca 0.17 0.15 -0.38 0.00 -1.81 0.00 0.00 57.70 55.83 1xnr n MET 44 Cb 0.08 -1.69 0.02 0.00 -0.71 0.00 0.00 33.22 30.92 1xnr n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1xnr n VAL 45 N -2.87 0.57 0.00 2.03 0.31 -1.13 -0.80 118.33 116.44 1xnr n VAL 45 Ca -0.20 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1xnr n VAL 45 Cb 1.02 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 1xnr n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xnr n GLY 46 N 2.40 1.20 3.32 2.92 0.00 -1.11 -4.95 105.19 108.97 1xnr n GLY 46 Ca 0.08 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1xnr n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xnr n HIS 47 N 0.00 -2.43 -3.59 1.61 -0.00 0.02 -4.86 115.22 105.98 1xnr n HIS 47 Ca 0.00 -0.41 -0.29 0.00 -0.00 0.00 0.00 57.72 57.02 1xnr n HIS 47 Cb 0.00 -1.52 -0.13 0.00 -0.00 0.00 0.00 29.99 28.34 1xnr n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1xnr s THR 48 N -2.25 0.59 -0.37 1.59 2.01 -1.26 -3.44 115.64 112.51 1xnr s THR 48 Ca 0.66 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 1xnr s THR 48 Cb -0.18 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1xnr s THR 48 CO 0.61 -0.88 0.43 -0.63 -0.69 0.00 0.00 174.62 173.46 1xnr s ILE 49 N 1.09 5.09 -0.58 1.82 1.01 -0.28 -2.34 121.20 127.00 1xnr s ILE 49 Ca 0.15 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.60 1xnr s ILE 49 Cb -0.22 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.39 1xnr s ILE 49 CO -0.08 -0.24 0.82 0.00 0.00 0.00 0.00 174.94 175.45 1xnr s ALA 50 N 2.17 3.25 0.48 9.38 0.00 -1.20 -1.47 121.76 134.37 1xnr s ALA 50 Ca 0.14 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.17 1xnr s ALA 50 Cb -0.16 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1xnr s ALA 50 CO 0.13 -2.42 0.94 0.08 0.00 0.00 0.00 175.76 174.49 1xnr s VAL 51 N 3.41 4.55 0.05 0.00 1.01 0.20 -2.89 120.40 126.72 1xnr s VAL 51 Ca 0.20 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 1xnr s VAL 51 Cb -0.18 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1xnr s VAL 51 CO 0.12 -0.58 0.44 -0.47 0.00 0.00 0.00 175.10 174.60 1xnr s TYR 52 N -2.49 3.67 -0.74 5.22 5.04 -0.98 0.23 117.35 127.30 1xnr s TYR 52 Ca 0.58 0.96 0.08 0.00 -2.44 0.00 0.00 57.07 56.25 1xnr s TYR 52 Cb -0.10 -2.27 0.23 0.00 0.35 0.00 0.00 41.96 40.17 1xnr s TYR 52 CO 0.27 0.57 1.18 0.27 -1.34 0.00 0.00 175.55 176.50 1xnr n ASN 53 N 1.38 2.67 0.00 4.32 0.23 -0.85 -4.88 115.26 118.13 1xnr n ASN 53 Ca -0.11 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1xnr n ASN 53 Cb 0.52 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1xnr n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xnr n GLY 54 N 0.30 0.46 0.51 4.83 0.00 -1.26 -4.64 105.19 105.40 1xnr n GLY 54 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xnr n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xnr n LYS 55 N -1.41 0.00 -4.38 1.61 4.81 -1.26 -5.15 118.16 112.38 1xnr n LYS 55 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1xnr n LYS 55 Cb 0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 35.03 34.59 1xnr n LYS 55 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xnr n GLN 56 N -1.78 0.55 -3.68 1.64 1.13 -1.26 -5.11 117.38 108.87 1xnr n GLN 56 Ca 0.00 -3.44 -0.38 0.00 -1.94 0.00 0.00 57.00 51.25 1xnr n GLN 56 Cb 0.01 2.03 -0.09 0.00 0.11 0.00 0.00 30.24 32.30 1xnr n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1xnr s HIS 57 N -3.14 3.48 -0.12 1.08 3.76 -1.26 -2.01 115.29 117.09 1xnr s HIS 57 Ca 0.24 -2.47 -0.29 0.00 -0.15 0.00 0.00 55.06 52.38 1xnr s HIS 57 Cb 0.01 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 1xnr s HIS 57 CO 0.17 -0.91 1.53 0.08 -0.85 0.00 0.00 174.74 174.77 1xnr s VAL 58 N 0.44 3.81 -0.46 -0.90 1.01 0.61 -4.71 120.40 120.19 1xnr s VAL 58 Ca 0.13 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1xnr s VAL 58 Cb -0.21 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1xnr s VAL 58 CO -0.04 -0.14 1.37 -2.16 0.00 0.00 0.00 175.10 174.14 1xnr s PRO 59 N 4.03 3.52 -0.18 2.72 0.04 -1.26 0.60 135.00 144.46 1xnr s PRO 59 Ca 0.68 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 1xnr s PRO 59 Cb -0.28 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 1xnr s PRO 59 CO 0.25 -1.65 0.03 0.08 0.04 0.00 0.00 177.00 175.76 1xnr s VAL 60 N 5.48 4.49 -0.94 -0.36 1.01 -0.54 -4.93 120.40 124.61 1xnr s VAL 60 Ca 0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1xnr s VAL 60 Cb -0.12 -3.01 0.24 0.00 0.00 0.00 0.00 36.38 33.49 1xnr s VAL 60 CO 0.31 0.46 0.91 -0.47 0.00 0.00 0.00 175.10 176.30 1xnr s TYR 61 N 0.47 3.97 0.24 5.22 6.14 -1.26 -1.13 117.35 131.01 1xnr s TYR 61 Ca 0.01 -2.29 -0.31 0.00 0.64 0.00 0.00 57.07 55.12 1xnr s TYR 61 Cb -0.13 -3.82 -0.14 0.00 0.42 0.00 0.00 41.96 38.29 1xnr s TYR 61 CO 0.01 -0.97 1.28 1.51 0.64 0.00 0.00 175.55 178.02 1xnr n ILE 62 N 3.44 1.21 -4.26 3.14 0.13 -1.22 -4.94 119.36 116.85 1xnr n ILE 62 Ca 0.18 -0.30 -0.15 0.00 -1.10 0.00 0.00 62.75 61.37 1xnr n ILE 62 Cb 0.44 -1.26 -0.10 0.00 -0.84 0.00 0.00 39.64 37.87 1xnr n ILE 62 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1xnr s THR 63 N -0.36 1.29 0.39 9.51 2.01 -1.26 -2.75 115.64 124.47 1xnr s THR 63 Ca 0.66 -2.02 0.11 0.00 0.31 0.00 0.00 61.69 60.76 1xnr s THR 63 Cb -0.70 -1.81 0.33 0.00 0.01 0.00 0.00 72.50 70.33 1xnr s THR 63 CO 0.53 -0.66 1.93 -0.08 -0.69 0.00 0.00 174.62 175.65 1xnr h GLU 64 N 2.89 0.55 -0.75 4.92 4.57 -1.96 -0.75 114.58 124.05 1xnr h GLU 64 Ca -0.37 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1xnr h GLU 64 Cb 1.20 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1xnr h GLU 64 CO 0.61 0.37 0.46 -0.91 -1.18 0.00 0.00 179.01 178.36 1xnr h ASN 65 N 0.57 0.90 -0.73 1.04 2.35 -2.00 -2.89 115.58 114.82 1xnr h ASN 65 Ca 0.36 -0.06 -0.45 0.00 -0.55 0.00 0.00 56.30 55.60 1xnr h ASN 65 Cb 0.62 -0.23 -0.22 0.00 0.05 0.00 0.00 38.32 38.55 1xnr h ASN 65 CO -0.13 0.69 0.58 1.15 -1.65 0.00 0.00 177.43 178.07 1xnr n MET 66 N -4.51 2.11 -3.45 0.81 0.00 -0.29 -4.92 117.12 106.87 1xnr n MET 66 Ca 0.07 -2.32 -0.38 0.00 0.00 0.00 0.00 57.70 55.08 1xnr n MET 66 Cb 0.05 -1.91 -0.08 0.00 0.00 0.00 0.00 33.22 31.28 1xnr n MET 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xnr s VAL 67 N -3.11 5.24 0.00 3.17 1.01 -1.09 -3.99 120.40 121.63 1xnr s VAL 67 Ca 0.45 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1xnr s VAL 67 Cb 0.36 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1xnr s VAL 67 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1xnr n GLY 68 N 3.83 1.07 3.84 4.51 0.00 -1.03 -4.99 105.19 112.41 1xnr n GLY 68 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1xnr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xnr s HIS 69 N -1.42 3.41 0.61 1.61 3.76 -1.26 -4.50 115.29 117.51 1xnr s HIS 69 Ca 0.00 1.47 -0.14 0.00 -0.15 0.00 0.00 55.06 56.24 1xnr s HIS 69 Cb 0.00 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 1xnr s HIS 69 CO 0.00 -0.27 1.04 0.15 -0.85 0.00 0.00 174.74 174.81 1xnr s LYS 70 N -3.78 3.35 0.26 1.40 -0.14 -1.26 -2.64 119.74 116.92 1xnr s LYS 70 Ca 0.59 1.04 0.05 0.00 -1.36 0.00 0.00 55.97 56.29 1xnr s LYS 70 Cb -0.10 -2.04 0.34 0.00 -1.68 0.00 0.00 37.83 34.35 1xnr s LYS 70 CO 0.26 -0.77 1.62 -0.07 -0.76 0.00 0.00 175.35 175.63 1xnr h LEU 71 N 0.10 0.26 -2.31 3.17 4.07 -1.64 -2.75 115.31 116.21 1xnr h LEU 71 Ca -0.46 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1xnr h LEU 71 Cb 1.21 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 1xnr h LEU 71 CO 0.58 0.74 0.23 1.23 -1.08 0.00 0.00 178.44 180.14 1xnr h GLY 72 N 1.36 0.00 1.05 0.83 0.00 -1.87 0.55 103.07 104.99 1xnr h GLY 72 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xnr h GLY 72 CO 0.08 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.80 1xnr n GLU 73 N -3.00 0.78 0.00 4.80 1.02 -1.04 -2.90 120.64 120.31 1xnr n GLU 73 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xnr n GLU 73 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1xnr n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1xnr n PHE 74 N -1.02 0.00 -3.84 -0.32 3.01 0.19 -4.87 117.46 110.61 1xnr n PHE 74 Ca 0.19 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.34 1xnr n PHE 74 Cb 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 1xnr n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xnr s ALA 75 N -0.23 3.71 -0.15 4.37 0.00 -1.14 -4.98 121.76 123.34 1xnr s ALA 75 Ca 0.00 -3.59 -0.32 0.00 0.00 0.00 0.00 51.96 48.05 1xnr s ALA 75 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 20.67 1xnr s ALA 75 CO 0.00 -2.09 2.06 -0.35 0.00 0.00 0.00 175.76 175.38 1xnr n PRO 76 N 2.59 2.03 -0.01 0.00 -0.04 -1.26 -4.77 135.00 133.54 1xnr n PRO 76 Ca 0.14 0.67 -0.18 0.00 -0.04 0.00 0.00 63.50 64.09 1xnr n PRO 76 Cb 0.35 -2.86 -0.08 0.00 -0.04 0.00 0.00 33.50 30.87 1xnr n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1xnr h THR 77 N 6.30 1.30 -2.29 0.52 1.35 -1.89 -3.47 112.91 114.73 1xnr h THR 77 Ca -0.43 -1.98 -0.46 0.00 -0.55 0.00 0.00 66.41 62.99 1xnr h THR 77 Cb 1.27 2.10 0.07 0.00 -1.73 0.00 0.00 68.15 69.86 1xnr h THR 77 CO 0.96 0.62 0.05 -0.13 -0.25 0.00 0.00 175.52 176.77 1xnr s ARG 78 N -3.65 2.03 -0.33 4.72 0.52 -1.26 -4.96 118.95 116.03 1xnr s ARG 78 Ca -0.11 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1xnr s ARG 78 Cb 0.08 -2.39 0.12 0.00 0.52 0.00 0.00 34.95 33.27 1xnr s ARG 78 CO 0.89 -1.15 0.16 0.99 0.02 0.00 0.00 175.30 176.21 1xnr s THR 79 N -2.99 0.33 -0.03 0.02 2.01 -1.26 -5.13 115.64 108.58 1xnr s THR 79 Ca 0.63 -1.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1xnr s THR 79 Cb -0.07 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1xnr s THR 79 CO 0.42 -0.81 0.04 -0.47 -0.69 0.00 0.00 174.62 173.11 1xnr s TYR 80 N 1.52 3.22 0.00 4.92 5.04 -1.26 -5.33 117.35 125.45 1xnr s TYR 80 Ca 0.13 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1xnr s TYR 80 Cb -0.19 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.37 1xnr s TYR 80 CO -0.19 0.52 0.00 -2.13 -1.34 0.00 0.00 175.55 172.40