#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n ASN 9 N 0.00 -4.61 -4.47 0.55 5.15 -1.26 -4.95 115.26 105.67 1xnr n ASN 9 Ca 0.00 0.41 -0.43 0.00 -0.60 0.00 0.00 54.58 53.96 1xnr n ASN 9 Cb 0.00 -2.90 -0.03 0.00 -0.53 0.00 0.00 39.78 36.31 1xnr n ASN 9 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xnr s LEU 10 N -1.25 4.40 0.63 1.20 2.96 -1.26 -4.89 118.68 120.47 1xnr s LEU 10 Ca 0.06 -1.38 0.19 0.00 -0.22 0.00 0.00 54.13 52.78 1xnr s LEU 10 Cb -0.02 -2.44 0.76 0.00 0.50 0.00 0.00 46.19 44.99 1xnr s LEU 10 CO 0.34 -1.35 1.33 0.28 -1.32 0.00 0.00 176.35 175.63 1xnr h SER 11 N 9.38 0.00 0.00 3.68 0.02 -2.06 -2.26 113.55 122.31 1xnr h SER 11 Ca -0.07 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 1xnr h SER 11 Cb 1.04 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 1xnr h SER 11 CO 1.20 0.00 0.07 0.00 -1.14 0.00 0.00 176.83 176.95 1xnr n ALA 12 N -2.00 5.48 -0.80 3.77 0.00 -1.26 -2.63 120.51 123.07 1xnr n ALA 12 Ca 0.12 -1.61 0.04 0.00 0.00 0.00 0.00 53.44 51.99 1xnr n ALA 12 Cb 1.17 -2.38 0.06 0.00 0.00 0.00 0.00 19.45 18.30 1xnr n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1xnr n LEU 13 N 2.69 1.65 -0.05 0.00 -0.00 -0.85 -4.39 117.00 116.05 1xnr n LEU 13 Ca 0.38 -2.07 -0.16 0.00 -0.00 0.00 0.00 56.01 54.15 1xnr n LEU 13 Cb 0.71 -0.17 -0.06 0.00 -0.00 0.00 0.00 43.42 43.90 1xnr n LEU 13 CO 0.20 0.49 0.36 0.50 -0.00 0.00 0.00 177.39 178.94 1xnr h LYS 14 N 0.00 0.81 -0.99 1.47 3.64 -1.79 -2.90 116.57 116.81 1xnr h LYS 14 Ca 0.00 -0.58 0.25 0.00 -1.27 0.00 0.00 60.65 59.06 1xnr h LYS 14 Cb 0.87 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.66 1xnr h LYS 14 CO 0.00 1.20 0.56 0.00 -2.27 0.00 0.00 179.45 178.94 1xnr h ARG 15 N 0.56 0.49 0.52 1.90 2.47 -1.86 0.93 114.38 119.39 1xnr h ARG 15 Ca -0.02 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 1xnr h ARG 15 Cb 1.25 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1xnr h ARG 15 CO 0.13 0.33 -0.25 1.25 0.56 0.00 0.00 179.97 181.99 1xnr h HIS 16 N 0.51 -0.64 -0.78 3.04 2.76 -1.82 0.70 115.15 118.91 1xnr h HIS 16 Ca 0.65 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.92 1xnr h HIS 16 Cb 1.28 0.21 -0.13 0.00 1.55 0.00 0.00 27.41 30.32 1xnr h HIS 16 CO -0.03 -0.32 -0.40 0.00 -1.30 0.00 0.00 177.93 175.88 1xnr h ARG 17 N -0.96 -0.10 0.25 5.26 3.08 -0.22 0.10 114.38 121.80 1xnr h ARG 17 Ca -0.07 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1xnr h ARG 17 Cb 0.61 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1xnr h ARG 17 CO 0.12 -0.07 -0.28 1.96 -1.07 0.00 0.00 179.97 180.63 1xnr h GLN 18 N -0.10 -0.55 -0.49 0.04 4.20 0.81 -2.74 115.11 116.28 1xnr h GLN 18 Ca 0.26 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.10 1xnr h GLN 18 Cb 0.56 0.13 -0.10 0.00 0.30 0.00 0.00 27.48 28.37 1xnr h GLN 18 CO -0.82 -0.37 -0.35 0.66 -0.67 0.00 0.00 178.83 177.28 1xnr h SER 19 N -0.57 -1.18 -0.95 1.46 4.64 0.27 0.30 113.55 117.51 1xnr h SER 19 Ca -0.00 0.21 0.21 0.00 -0.47 0.00 0.00 61.79 61.74 1xnr h SER 19 Cb 0.54 0.56 -0.08 0.00 -0.31 0.00 0.00 62.40 63.11 1xnr h SER 19 CO -0.08 -0.32 0.61 -0.07 -0.87 0.00 0.00 176.83 176.11 1xnr h LEU 20 N -0.22 0.52 0.27 5.97 3.38 -0.89 0.33 115.31 124.67 1xnr h LEU 20 Ca 0.19 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1xnr h LEU 20 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xnr h LEU 20 CO -0.61 0.19 -0.13 0.50 0.09 0.00 0.00 178.44 178.48 1xnr h LYS 21 N 0.51 -0.35 -0.71 1.13 3.64 -0.17 -2.04 116.57 118.57 1xnr h LYS 21 Ca 0.52 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.98 1xnr h LYS 21 Cb 1.13 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1xnr h LYS 21 CO -0.25 -0.02 0.47 0.00 -2.27 0.00 0.00 179.45 177.38 1xnr h ARG 22 N -0.76 0.74 0.64 1.90 3.08 -0.13 -1.92 114.38 117.94 1xnr h ARG 22 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1xnr h ARG 22 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1xnr h ARG 22 CO 0.06 0.49 -0.48 -0.09 -1.07 0.00 0.00 179.97 178.88 1xnr h ARG 23 N 0.76 -1.04 -0.07 0.04 2.43 -0.28 -1.08 114.38 115.14 1xnr h ARG 23 Ca 0.30 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 1xnr h ARG 23 Cb 0.22 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1xnr h ARG 23 CO -0.10 -0.69 0.37 1.25 -1.51 0.00 0.00 179.97 179.29 1xnr h LEU 24 N -1.08 0.00 0.08 3.80 5.85 -0.63 -1.67 115.31 121.67 1xnr h LEU 24 Ca -0.08 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.32 1xnr h LEU 24 Cb 0.90 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1xnr h LEU 24 CO 0.03 0.00 -1.74 -0.09 -0.34 0.00 0.00 178.44 176.30 1xnr h ARG 25 N 0.00 0.17 0.20 1.25 2.43 -0.58 -3.23 114.38 114.62 1xnr h ARG 25 Ca 0.04 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1xnr h ARG 25 Cb 0.78 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1xnr h ARG 25 CO -0.00 0.94 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.40 1xnr h ASN 26 N 0.05 -0.23 -0.79 -3.80 2.35 -0.40 -2.78 115.58 109.97 1xnr h ASN 26 Ca -0.31 -0.28 0.16 0.00 -0.55 0.00 0.00 56.30 55.31 1xnr h ASN 26 Cb 2.02 0.06 -0.15 0.00 0.05 0.00 0.00 38.32 40.30 1xnr h ASN 26 CO 0.11 0.31 -0.20 1.17 -1.65 0.00 0.00 177.43 177.17 1xnr n LYS 27 N -4.95 -0.07 0.35 0.81 4.81 -0.73 0.32 118.16 118.70 1xnr n LYS 27 Ca -0.07 1.24 -0.17 0.00 -0.87 0.00 0.00 58.31 58.43 1xnr n LYS 27 Cb 0.25 -1.85 -0.09 0.00 0.02 0.00 0.00 35.03 33.36 1xnr n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xnr h ALA 28 N 1.58 -1.20 -0.76 3.14 0.00 -1.56 -2.07 119.26 118.38 1xnr h ALA 28 Ca 0.38 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1xnr h ALA 28 Cb 0.58 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1xnr h ALA 28 CO -0.82 -1.18 0.15 0.87 0.00 0.00 0.00 179.25 178.27 1xnr h LYS 29 N -1.03 0.22 0.39 0.00 1.57 0.16 -2.47 116.57 115.41 1xnr h LYS 29 Ca -0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1xnr h LYS 29 Cb 0.85 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1xnr h LYS 29 CO 0.05 0.15 -0.30 0.87 -0.57 0.00 0.00 179.45 179.64 1xnr h LYS 30 N 0.23 -0.64 -0.82 3.15 1.79 -0.67 -2.11 116.57 117.49 1xnr h LYS 30 Ca 0.44 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 59.06 1xnr h LYS 30 Cb 0.78 0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 31.45 1xnr h LYS 30 CO -0.56 -0.43 -0.36 0.43 -1.08 0.00 0.00 179.45 177.45 1xnr n SER 31 N -4.21 -0.61 -0.08 0.86 7.64 -0.80 0.87 113.62 117.29 1xnr n SER 31 Ca -0.08 1.43 -0.07 0.00 1.01 0.00 0.00 58.87 61.16 1xnr n SER 31 Cb 0.29 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xnr n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnr h ALA 32 N 0.95 0.04 -0.02 -0.43 0.00 -1.26 -1.08 119.26 117.46 1xnr h ALA 32 Ca 0.25 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1xnr h ALA 32 Cb 0.45 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1xnr h ALA 32 CO -0.80 -0.58 -0.49 0.82 0.00 0.00 0.00 179.25 178.20 1xnr h ILE 33 N -0.15 0.00 -0.04 0.00 2.04 0.12 -1.90 117.51 117.59 1xnr h ILE 33 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1xnr h ILE 33 Cb 0.39 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1xnr h ILE 33 CO -0.40 0.00 -0.09 0.11 0.00 0.00 0.00 178.15 177.77 1xnr h LYS 34 N -0.60 -0.08 -0.98 2.37 1.57 -0.46 -1.52 116.57 116.86 1xnr h LYS 34 Ca 0.01 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1xnr h LYS 34 Cb 0.66 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.82 1xnr h LYS 34 CO -0.34 -0.06 -0.39 1.15 -0.57 0.00 0.00 179.45 179.25 1xnr h THR 35 N -0.09 0.01 -0.61 -0.16 2.02 -1.11 0.30 112.91 113.27 1xnr h THR 35 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1xnr h THR 35 Cb 0.11 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1xnr h THR 35 CO -0.08 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.07 1xnr h LEU 36 N -0.01 0.75 0.25 2.58 3.38 -1.22 0.46 115.31 121.51 1xnr h LEU 36 Ca 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1xnr h LEU 36 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xnr h LEU 36 CO -0.98 0.63 -0.24 0.28 0.09 0.00 0.00 178.44 178.21 1xnr h SER 37 N 0.82 -0.66 -0.72 -0.43 0.02 0.53 0.91 113.55 114.02 1xnr h SER 37 Ca 0.21 0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.37 1xnr h SER 37 Cb 0.04 0.22 -0.13 0.00 0.14 0.00 0.00 62.40 62.67 1xnr h SER 37 CO -0.03 -0.32 -0.02 0.11 -1.14 0.00 0.00 176.83 175.42 1xnr h LYS 38 N -0.49 0.09 -0.45 3.45 1.57 -0.77 0.48 116.57 120.45 1xnr h LYS 38 Ca -0.03 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1xnr h LYS 38 Cb 0.42 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.63 1xnr h LYS 38 CO -0.02 0.06 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.65 1xnr h LYS 39 N 0.09 0.06 0.05 3.15 3.64 0.97 0.34 116.57 124.88 1xnr h LYS 39 Ca 0.38 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1xnr h LYS 39 Cb 0.65 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1xnr h LYS 39 CO -0.64 0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 176.55 1xnr h ALA 40 N 1.42 -0.07 -0.99 5.00 0.00 0.35 -2.65 119.26 122.33 1xnr h ALA 40 Ca 0.22 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1xnr h ALA 40 Cb 0.33 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1xnr h ALA 40 CO -0.41 -0.35 0.61 0.82 0.00 0.00 0.00 179.25 179.93 1xnr h ILE 41 N -0.46 0.71 0.49 0.00 5.03 0.40 -1.02 117.51 122.66 1xnr h ILE 41 Ca -0.01 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 1xnr h ILE 41 Cb 0.41 -0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.16 1xnr h ILE 41 CO 0.01 0.13 -0.23 -0.61 -0.68 0.00 0.00 178.15 176.76 1xnr h GLN 42 N 0.69 -0.63 -0.38 2.37 -0.00 -0.19 -2.72 115.11 114.25 1xnr h GLN 42 Ca 0.55 0.04 0.07 0.00 -0.00 0.00 0.00 58.65 59.32 1xnr h GLN 42 Cb 0.96 0.14 -0.06 0.00 0.00 0.00 0.00 27.48 28.52 1xnr h GLN 42 CO -0.33 -0.33 -0.03 -0.07 0.00 0.00 0.00 178.83 178.07 1xnr h LEU 43 N -0.94 -0.22 -1.76 -2.39 3.38 -1.09 0.11 115.31 112.39 1xnr h LEU 43 Ca -0.07 0.10 0.27 0.00 0.09 0.00 0.00 57.88 58.27 1xnr h LEU 43 Cb 0.60 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1xnr h LEU 43 CO 0.11 -0.07 0.68 0.00 0.09 0.00 0.00 178.44 179.25 1xnr h ALA 44 N 1.35 2.64 -0.05 1.53 0.00 -1.21 0.41 119.26 123.93 1xnr h ALA 44 Ca 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xnr h ALA 44 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xnr h ALA 44 CO -0.34 -0.96 0.03 0.94 0.00 0.00 0.00 179.25 178.93 1xnr n GLN 45 N -4.38 1.06 -0.18 0.00 7.27 0.39 -2.78 117.38 118.77 1xnr n GLN 45 Ca 0.22 -0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1xnr n GLN 45 Cb 0.95 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.54 1xnr n GLN 45 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1xnr n GLU 46 N 0.50 0.00 -1.06 3.69 1.02 0.14 -5.00 120.64 119.94 1xnr n GLU 46 Ca 0.03 -0.27 -0.02 0.00 -0.02 0.00 0.00 57.16 56.88 1xnr n GLU 46 Cb 0.55 -0.20 -0.01 0.00 -0.02 0.00 0.00 31.44 31.77 1xnr n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnr n GLY 47 N 0.00 0.48 1.82 0.62 0.00 -1.12 -4.87 105.19 102.12 1xnr n GLY 47 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1xnr n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xnr n LYS 48 N -1.72 1.21 -0.09 1.61 4.76 -1.21 -4.71 118.16 118.01 1xnr n LYS 48 Ca -0.02 -0.38 -0.02 0.00 -2.87 0.00 0.00 58.31 55.01 1xnr n LYS 48 Cb 0.22 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1xnr n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnr n ALA 49 N 2.06 -0.14 -0.81 7.82 0.00 -1.26 0.28 120.51 128.45 1xnr n ALA 49 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xnr n ALA 49 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1xnr n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xnr n GLU 50 N -3.71 0.00 -0.36 0.00 2.13 -1.26 -1.08 120.64 116.36 1xnr n GLU 50 Ca 0.00 0.19 -0.06 0.00 0.66 0.00 0.00 57.16 57.95 1xnr n GLU 50 Cb 0.06 -1.09 -0.04 0.00 0.27 0.00 0.00 31.44 30.63 1xnr n GLU 50 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xnr n GLU 51 N -0.89 -0.32 0.02 5.31 1.02 -0.86 -0.28 120.64 124.64 1xnr n GLU 51 Ca 0.00 1.35 -0.09 0.00 -0.02 0.00 0.00 57.16 58.40 1xnr n GLU 51 Cb 0.00 -1.99 -0.06 0.00 -0.02 0.00 0.00 31.44 29.38 1xnr n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xnr h ALA 52 N 0.73 -0.75 -0.40 0.62 0.00 -0.20 -1.31 119.26 117.95 1xnr h ALA 52 Ca 0.20 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1xnr h ALA 52 Cb 0.43 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1xnr h ALA 52 CO -0.85 -0.84 -0.17 -0.07 0.00 0.00 0.00 179.25 177.32 1xnr h LEU 53 N -0.38 -0.59 -0.86 0.00 3.38 -0.19 0.92 115.31 117.60 1xnr h LEU 53 Ca 0.01 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1xnr h LEU 53 Cb 0.41 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 41.33 1xnr h LEU 53 CO -0.21 -0.20 -0.12 0.11 0.09 0.00 0.00 178.44 178.11 1xnr h LYS 54 N -0.09 0.03 0.01 1.13 1.57 0.09 0.56 116.57 119.86 1xnr h LYS 54 Ca 0.20 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.75 1xnr h LYS 54 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xnr h LYS 54 CO -0.46 0.02 -0.96 0.82 -0.57 0.00 0.00 179.45 178.30 1xnr h ILE 55 N 0.03 1.42 -0.23 1.86 2.04 -0.41 -3.02 117.51 119.20 1xnr h ILE 55 Ca 0.45 -2.52 0.05 0.00 1.00 0.00 0.00 64.86 63.84 1xnr h ILE 55 Cb 0.77 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 1xnr h ILE 55 CO -0.84 0.75 -0.10 -0.03 0.00 0.00 0.00 178.15 177.92 1xnr h MET 56 N 0.20 -0.07 -0.86 2.37 4.05 0.20 0.17 114.93 120.99 1xnr h MET 56 Ca -0.08 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.51 1xnr h MET 56 Cb 1.60 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 32.35 1xnr h MET 56 CO 0.16 -0.05 0.56 -0.09 0.23 0.00 0.00 176.91 177.73 1xnr h ARG 57 N -0.07 0.53 0.61 0.39 2.43 -0.07 0.16 114.38 118.36 1xnr h ARG 57 Ca 0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1xnr h ARG 57 Cb 0.25 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xnr h ARG 57 CO -0.28 0.35 -0.29 0.87 -1.51 0.00 0.00 179.97 179.11 1xnr h LYS 58 N 0.54 -0.79 -0.85 0.20 1.57 -0.64 -2.96 116.57 113.64 1xnr h LYS 58 Ca 0.43 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.47 1xnr h LYS 58 Cb 0.87 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.21 1xnr h LYS 58 CO -0.18 -0.53 0.01 0.00 -0.57 0.00 0.00 179.45 178.18 1xnr h ALA 59 N -1.42 0.91 -0.75 3.86 0.00 -0.00 0.61 119.26 122.47 1xnr h ALA 59 Ca -0.08 0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1xnr h ALA 59 Cb 0.63 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1xnr h ALA 59 CO 0.14 -0.46 -0.17 1.49 0.00 0.00 0.00 179.25 180.25 1xnr h GLU 60 N 0.08 0.01 0.70 0.00 4.81 -0.62 -1.10 114.58 118.45 1xnr h GLU 60 Ca 0.48 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1xnr h GLU 60 Cb 0.89 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.27 1xnr h GLU 60 CO -0.76 0.01 -0.34 1.03 -0.73 0.00 0.00 179.01 178.21 1xnr h SER 61 N 0.01 -0.80 -1.01 1.04 0.87 0.37 -0.68 113.55 113.35 1xnr h SER 61 Ca 0.36 0.02 0.25 0.00 -1.23 0.00 0.00 61.79 61.19 1xnr h SER 61 Cb 0.57 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.61 1xnr h SER 61 CO -0.76 -0.55 0.60 -0.07 -0.53 0.00 0.00 176.83 175.52 1xnr h LEU 62 N -0.98 0.66 0.61 2.23 3.38 -0.79 0.82 115.31 121.23 1xnr h LEU 62 Ca -0.10 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xnr h LEU 62 Cb 0.74 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1xnr h LEU 62 CO 0.16 0.09 -0.29 0.40 0.09 0.00 0.00 178.44 178.89 1xnr h ILE 63 N 0.56 0.00 -1.03 1.22 2.04 -1.02 0.53 117.51 119.82 1xnr h ILE 63 Ca 0.65 -0.22 0.26 0.00 1.00 0.00 0.00 64.86 66.56 1xnr h ILE 63 Cb 1.27 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1xnr h ILE 63 CO -0.47 0.00 0.68 0.44 0.00 0.00 0.00 178.15 178.79 1xnr h ASP 64 N -1.03 0.37 0.38 1.72 5.19 0.34 -0.24 116.42 123.14 1xnr h ASP 64 Ca -0.08 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1xnr h ASP 64 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1xnr h ASP 64 CO 0.14 0.09 -0.18 0.11 -3.12 0.00 0.00 179.24 176.27 1xnr h LYS 65 N 0.33 -0.49 -1.36 3.56 1.57 0.77 -3.14 116.57 117.82 1xnr h LYS 65 Ca 0.56 0.03 0.47 0.00 -1.87 0.00 0.00 60.65 59.85 1xnr h LYS 65 Cb 1.55 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.83 1xnr h LYS 65 CO -0.23 -0.32 0.87 0.00 -0.57 0.00 0.00 179.45 179.19 1xnr n ALA 66 N -2.66 1.34 1.01 3.86 0.00 0.19 0.30 120.51 124.55 1xnr n ALA 66 Ca -0.06 0.86 0.12 0.00 0.00 0.00 0.00 53.44 54.35 1xnr n ALA 66 Cb 0.20 -1.05 0.56 0.00 0.00 0.00 0.00 19.45 19.17 1xnr n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr n ALA 67 N -2.52 2.17 0.16 0.00 0.00 -0.21 -2.83 120.51 117.27 1xnr n ALA 67 Ca 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1xnr n ALA 67 Cb 1.54 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 19.85 1xnr n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xnr h LYS 68 N 0.00 0.00 0.00 0.00 1.63 0.46 -3.17 116.57 115.49 1xnr h LYS 68 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xnr h LYS 68 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1xnr h LYS 68 CO 0.00 0.52 0.00 0.41 -3.45 0.00 0.00 179.45 176.93 1xnr n GLY 69 N 0.07 3.50 1.78 5.01 0.00 -1.13 -4.99 105.19 109.42 1xnr n GLY 69 Ca -0.01 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 1xnr n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnr n SER 70 N -1.19 6.08 -0.07 1.61 3.41 -1.26 -3.63 113.62 118.57 1xnr n SER 70 Ca 0.00 -2.88 -0.04 0.00 -0.26 0.00 0.00 58.87 55.68 1xnr n SER 70 Cb 0.00 -1.06 -0.16 0.00 -0.26 0.00 0.00 64.21 62.73 1xnr n SER 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xnr n THR 71 N 0.63 1.05 0.00 6.66 -1.04 -1.24 -4.88 114.28 115.45 1xnr n THR 71 Ca 0.22 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1xnr n THR 71 Cb 0.57 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1xnr n THR 71 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xnr n LEU 72 N -2.65 0.00 0.00 -4.42 4.77 -1.25 -4.97 117.00 108.48 1xnr n LEU 72 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1xnr n LEU 72 Cb 1.00 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 1xnr n LEU 72 CO 0.44 -0.31 0.00 1.41 -1.33 0.00 0.00 177.39 177.59 1xnr n HIS 73 N -2.13 0.00 0.00 -1.77 8.25 -1.20 -4.27 115.22 114.10 1xnr n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xnr n HIS 73 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xnr n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xnr n LYS 74 N 10.90 0.00 -0.50 -0.41 4.76 -1.26 -2.98 118.16 128.67 1xnr n LYS 74 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 1xnr n LYS 74 Cb 0.00 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.50 1xnr n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xnr n ASN 75 N -0.83 4.28 -0.00 4.39 3.02 -1.26 -4.21 115.26 120.64 1xnr n ASN 75 Ca 0.00 -2.41 -0.07 0.00 -0.03 0.00 0.00 54.58 52.06 1xnr n ASN 75 Cb 0.00 -0.51 0.11 0.00 -0.61 0.00 0.00 39.78 38.77 1xnr n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xnr h ALA 76 N 3.44 0.85 0.67 5.41 0.00 -1.71 0.08 119.26 128.00 1xnr h ALA 76 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1xnr h ALA 76 Cb 1.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xnr h ALA 76 CO 0.17 0.64 -0.32 0.00 0.00 0.00 0.00 179.25 179.75 1xnr h ALA 77 N 1.10 -1.08 -0.72 0.00 0.00 -1.72 -1.62 119.26 115.22 1xnr h ALA 77 Ca 0.04 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1xnr h ALA 77 Cb 0.91 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1xnr h ALA 77 CO 0.08 -1.01 -0.22 0.00 0.00 0.00 0.00 179.25 178.10 1xnr h ALA 78 N -1.46 0.38 -0.22 0.00 0.00 -1.78 0.17 119.26 116.35 1xnr h ALA 78 Ca -0.09 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1xnr h ALA 78 Cb 0.69 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1xnr h ALA 78 CO 0.15 -0.47 -0.29 -0.09 0.00 0.00 0.00 179.25 178.56 1xnr h ARG 79 N -0.03 -0.30 -0.28 0.00 2.43 -0.89 0.61 114.38 115.93 1xnr h ARG 79 Ca 0.33 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1xnr h ARG 79 Cb 0.54 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1xnr h ARG 79 CO -0.75 -0.20 0.09 0.00 -1.51 0.00 0.00 179.97 177.60 1xnr h ARG 80 N -0.31 0.20 -0.04 0.20 3.08 0.18 -0.52 114.38 117.17 1xnr h ARG 80 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1xnr h ARG 80 Cb 0.51 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1xnr h ARG 80 CO -0.40 0.13 -0.10 0.87 -1.07 0.00 0.00 179.97 179.40 1xnr h LYS 81 N 0.21 -0.15 0.14 0.04 1.57 0.18 -0.14 116.57 118.41 1xnr h LYS 81 Ca 0.12 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xnr h LYS 81 Cb 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1xnr h LYS 81 CO -0.14 -0.10 -0.23 1.03 -0.57 0.00 0.00 179.45 179.45 1xnr h SER 82 N -0.15 -0.67 -1.29 0.86 0.87 0.71 0.05 113.55 113.93 1xnr h SER 82 Ca 0.05 0.06 0.38 0.00 -1.23 0.00 0.00 61.79 61.06 1xnr h SER 82 Cb 0.22 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 62.33 1xnr h SER 82 CO -0.13 -0.27 0.87 0.03 -0.53 0.00 0.00 176.83 176.80 1xnr h ARG 83 N -0.39 0.14 0.31 2.24 3.08 -0.99 -1.73 114.38 117.03 1xnr h ARG 83 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1xnr h ARG 83 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1xnr h ARG 83 CO -0.08 0.09 -0.15 1.25 -1.07 0.00 0.00 179.97 180.01 1xnr h LEU 84 N 0.14 -0.36 -2.77 3.04 6.46 0.23 -2.25 115.31 119.80 1xnr h LEU 84 Ca 0.70 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.39 1xnr h LEU 84 Cb 2.34 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 42.36 1xnr h LEU 84 CO -0.22 0.11 0.02 0.24 -0.62 0.00 0.00 178.44 177.97 1xnr h MET 85 N -1.07 0.00 0.00 1.25 2.86 -0.55 -1.13 114.93 116.29 1xnr h MET 85 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1xnr h MET 85 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1xnr h MET 85 CO 0.07 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.58 1xnr n ARG 86 N -3.32 0.00 -0.58 1.72 1.74 -0.70 -2.14 116.66 113.38 1xnr n ARG 86 Ca -0.03 0.20 0.44 0.00 -0.77 0.00 0.00 57.85 57.69 1xnr n ARG 86 Cb 0.10 -0.74 0.69 0.00 -1.02 0.00 0.00 32.46 31.49 1xnr n ARG 86 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xnr n LYS 87 N -1.09 -0.01 -0.07 5.56 5.02 -0.85 -0.29 118.16 126.44 1xnr n LYS 87 Ca 0.00 0.97 -0.10 0.00 -2.02 0.00 0.00 58.31 57.16 1xnr n LYS 87 Cb 0.00 -2.17 -0.09 0.00 -0.02 0.00 0.00 35.03 32.75 1xnr n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xnr h VAL 88 N 0.00 1.24 -0.34 -0.18 2.07 -1.32 -3.30 116.25 114.42 1xnr h VAL 88 Ca 0.81 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1xnr h VAL 88 Cb 3.14 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 35.25 1xnr h VAL 88 CO -0.08 0.42 0.22 -0.09 0.02 0.00 0.00 177.57 178.06 1xnr h ARG 89 N -1.00 0.43 0.00 1.57 2.43 -0.12 -1.41 114.38 116.28 1xnr h ARG 89 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xnr h ARG 89 Cb 0.72 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1xnr h ARG 89 CO -0.01 0.28 0.00 1.04 -1.51 0.00 0.00 179.97 179.77 1xnr n GLN 90 N -4.49 0.66 -0.06 0.20 6.02 -0.43 -0.53 117.38 118.75 1xnr n GLN 90 Ca 0.02 0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.97 1xnr n GLN 90 Cb 0.08 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.75 1xnr n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xnr n LEU 91 N -1.07 0.30 0.17 1.08 4.77 -0.57 -4.26 117.00 117.43 1xnr n LEU 91 Ca 0.17 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1xnr n LEU 91 Cb 0.11 0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.59 1xnr n LEU 91 CO 0.15 0.33 0.69 -0.07 -1.33 0.00 0.00 177.39 177.16 1xnr h LEU 92 N 0.00 0.00 -3.45 2.23 3.38 -1.29 -2.98 115.31 113.20 1xnr h LEU 92 Ca -0.32 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.26 1xnr h LEU 92 Cb 1.70 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 42.24 1xnr h LEU 92 CO 0.01 0.01 0.49 -0.62 0.09 0.00 0.00 178.44 178.42 1xnr n GLU 93 N -2.83 1.93 -2.73 1.13 1.02 0.31 -2.15 120.64 117.33 1xnr n GLU 93 Ca 0.04 -2.11 -0.10 0.00 -0.02 0.00 0.00 57.16 54.97 1xnr n GLU 93 Cb 0.51 -1.83 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1xnr n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xnr n ALA 94 N -0.51 2.80 -0.64 0.62 0.00 -1.13 -4.95 120.51 116.70 1xnr n ALA 94 Ca 0.42 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 51.04 1xnr n ALA 94 Cb 1.13 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1xnr n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr n ALA 95 N -0.10 -1.34 -0.40 0.00 0.00 -1.22 -4.96 120.51 112.50 1xnr n ALA 95 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xnr n ALA 95 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1xnr n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnr n GLY 96 N 0.70 -2.22 1.37 0.00 0.00 -0.91 -4.50 105.19 99.63 1xnr n GLY 96 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1xnr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 97 N -1.25 -2.74 -0.98 4.61 0.00 -1.24 -4.79 120.51 114.13 1xnr n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xnr n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xnr n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xnr n PRO 98 N 0.02 0.00 0.01 0.00 -0.02 -1.26 -4.77 135.00 128.98 1xnr n PRO 98 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1xnr n PRO 98 Cb 0.00 -0.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 1xnr n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xnr h LEU 99 N 8.64 -0.16 -0.00 2.45 3.38 -1.86 -2.60 115.31 125.15 1xnr h LEU 99 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xnr h LEU 99 Cb 0.93 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xnr h LEU 99 CO 0.93 -0.06 -0.01 0.00 0.09 0.00 0.00 178.44 179.40 1xnr n ILE 100 N -2.73 0.00 -2.64 1.22 3.06 -1.26 -4.87 119.36 112.13 1xnr n ILE 100 Ca -0.01 -0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.12 1xnr n ILE 100 Cb 0.04 -0.48 -0.03 0.00 0.54 0.00 0.00 39.64 39.71 1xnr n ILE 100 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xnr n GLY 101 N 1.40 -0.10 0.00 4.50 0.00 -0.98 -4.77 105.19 105.23 1xnr n GLY 101 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xnr n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 102 N -0.93 -0.69 0.13 -0.02 0.00 -1.26 -3.64 105.19 98.78 1xnr n GLY 102 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1xnr n GLY 102 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xnr h GLY 103 N 0.00 0.00 -4.80 -0.02 0.00 -1.86 -3.44 103.07 92.94 1xnr h GLY 103 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1xnr h GLY 103 CO 0.00 0.00 0.04 1.08 0.00 0.00 0.00 176.54 177.66 1xnr s LEU 104 N -4.61 4.42 -0.96 3.11 1.43 -1.24 -5.01 118.68 115.82 1xnr s LEU 104 Ca 0.06 1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 54.34 1xnr s LEU 104 Cb 0.10 -3.02 0.24 0.00 0.03 0.00 0.00 46.19 43.54 1xnr s LEU 104 CO 0.47 0.07 0.91 -0.94 0.23 0.00 0.00 176.35 177.09 1xnr s SER 105 N -0.12 6.69 0.00 2.29 1.04 -1.26 -4.79 113.70 117.54 1xnr s SER 105 Ca 0.34 -3.43 0.20 0.00 0.48 0.00 0.00 55.95 53.54 1xnr s SER 105 Cb -0.19 -2.10 1.18 0.00 0.10 0.00 0.00 66.02 65.02 1xnr s SER 105 CO 0.19 -0.31 1.57 0.00 0.98 0.00 0.00 173.24 175.67