#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n LYS 8 N 0.00 0.00 -0.59 7.34 -0.00 -1.26 -5.15 118.16 118.50 1xnr n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xnr n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1xnr n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1xnr n GLU 9 N 0.00 -0.64 -0.04 -1.58 0.00 -1.26 -5.06 120.64 112.05 1xnr n GLU 9 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 57.16 57.88 1xnr n GLU 9 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.92 1xnr n GLU 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xnr n LEU 10 N 0.11 0.68 -3.99 4.31 4.32 -1.26 -4.71 117.00 116.46 1xnr n LEU 10 Ca 0.00 0.12 -0.40 0.00 -0.02 0.00 0.00 56.01 55.70 1xnr n LEU 10 Cb 0.00 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.49 1xnr n LEU 10 CO 0.00 0.16 2.14 -0.11 -1.22 0.00 0.00 177.39 178.36 1xnr n LEU 11 N -3.43 4.82 -1.22 2.23 0.00 -1.26 -4.47 117.00 113.67 1xnr n LEU 11 Ca -0.18 -3.46 0.09 0.00 0.00 0.00 0.00 56.01 52.47 1xnr n LEU 11 Cb 0.61 -1.48 0.28 0.00 0.00 0.00 0.00 43.42 42.83 1xnr n LEU 11 CO 0.01 -0.14 0.74 1.21 0.00 0.00 0.00 177.39 179.21 1xnr n GLU 12 N 7.21 2.69 0.00 1.96 4.07 -1.26 -4.15 120.64 131.16 1xnr n GLU 12 Ca 0.49 -2.29 0.01 0.00 -0.06 0.00 0.00 57.16 55.31 1xnr n GLU 12 Cb 0.42 -1.57 0.06 0.00 -0.06 0.00 0.00 31.44 30.29 1xnr n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xnr n ALA 13 N 1.22 1.45 0.32 4.31 0.00 -1.26 -0.35 120.51 126.20 1xnr n ALA 13 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.67 1xnr n ALA 13 Cb 0.59 -1.03 0.17 0.00 0.00 0.00 0.00 19.45 19.18 1xnr n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnr n GLY 14 N -0.98 -0.45 0.00 0.00 0.00 -1.26 -4.78 105.19 97.72 1xnr n GLY 14 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xnr n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xnr n VAL 15 N -1.24 0.00 -3.57 1.61 0.24 0.53 -5.03 118.33 110.86 1xnr n VAL 15 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1xnr n VAL 15 Cb 0.05 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1xnr n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1xnr n HIS 16 N 0.10 0.00 -0.34 6.34 8.25 -1.26 -4.89 115.22 123.43 1xnr n HIS 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xnr n HIS 16 Cb 0.00 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1xnr n HIS 16 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1xnr n PHE 17 N 13.78 0.00 -0.72 4.41 -0.00 -1.26 -4.86 117.46 128.81 1xnr n PHE 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1xnr n PHE 17 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 39.48 39.37 1xnr n PHE 17 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xnr n GLY 18 N 0.24 -3.95 3.54 4.97 0.00 -1.26 -4.67 105.19 104.06 1xnr n GLY 18 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1xnr n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xnr s HIS 19 N -1.57 -0.43 0.03 1.61 2.46 -0.45 -4.79 115.29 112.15 1xnr s HIS 19 Ca 0.00 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.15 1xnr s HIS 19 Cb 0.00 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 1xnr s HIS 19 CO 0.00 -0.47 0.00 0.39 -2.47 0.00 0.00 174.74 172.19 1xnr n GLU 20 N 0.49 -0.23 0.13 2.88 -0.58 -1.26 -4.04 120.64 118.03 1xnr n GLU 20 Ca -0.12 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xnr n GLU 20 Cb 0.59 -0.28 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 1xnr n GLU 20 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xnr n ARG 21 N -1.81 0.00 0.00 3.49 3.00 -1.26 -3.71 116.66 116.37 1xnr n ARG 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1xnr n ARG 21 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1xnr n ARG 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1xnr n LYS 22 N -3.39 -0.16 -0.51 5.56 4.76 -1.26 -4.47 118.16 118.68 1xnr n LYS 22 Ca 0.00 -0.21 -0.04 0.00 -2.87 0.00 0.00 58.31 55.19 1xnr n LYS 22 Cb 0.00 -0.64 0.14 0.00 -1.84 0.00 0.00 35.03 32.69 1xnr n LYS 22 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1xnr n ARG 23 N -0.01 2.21 0.00 1.97 1.85 -1.26 -4.90 116.66 116.51 1xnr n ARG 23 Ca 0.00 -1.47 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 1xnr n ARG 23 Cb 0.21 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1xnr n ARG 23 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 1xnr n TRP 24 N -0.01 -2.60 -3.77 2.89 4.27 -1.26 -4.64 117.44 112.32 1xnr n TRP 24 Ca 0.21 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.68 1xnr n TRP 24 Cb 0.89 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.69 1xnr n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1xnr s ASN 25 N -1.48 0.01 0.52 -0.67 3.04 -1.15 -4.86 114.94 110.36 1xnr s ASN 25 Ca 0.00 0.11 0.31 0.00 0.04 0.00 0.00 52.86 53.32 1xnr s ASN 25 Cb 0.00 0.01 1.18 0.00 -1.54 0.00 0.00 41.25 40.90 1xnr s ASN 25 CO 0.00 -0.13 1.92 -0.65 -3.04 0.00 0.00 177.10 175.20 1xnr h PRO 26 N 7.21 0.00 -0.50 0.43 0.11 -1.92 -2.77 132.00 134.55 1xnr h PRO 26 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xnr h PRO 26 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xnr h PRO 26 CO 0.46 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.93 1xnr n LYS 27 N -3.16 0.46 0.00 1.05 5.02 -1.26 -1.02 118.16 119.25 1xnr n LYS 27 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1xnr n LYS 27 Cb 0.35 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1xnr n LYS 27 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xnr n PHE 28 N 0.29 0.00 0.29 2.13 7.35 -1.05 -4.40 117.46 122.07 1xnr n PHE 28 Ca 0.00 -0.01 0.14 0.00 -0.76 0.00 0.00 57.45 56.82 1xnr n PHE 28 Cb 0.12 -0.00 0.85 0.00 0.35 0.00 0.00 39.48 40.80 1xnr n PHE 28 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xnr h ALA 29 N 0.00 1.47 -0.81 3.13 0.00 -1.21 -2.34 119.26 119.49 1xnr h ALA 29 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xnr h ALA 29 Cb 0.71 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xnr h ALA 29 CO 0.00 0.05 0.53 0.07 0.00 0.00 0.00 179.25 179.89 1xnr h ARG 30 N 0.00 1.00 0.00 0.00 0.11 -1.87 -2.32 114.38 111.30 1xnr h ARG 30 Ca -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1xnr h ARG 30 Cb 0.10 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1xnr h ARG 30 CO 0.00 0.66 -0.08 0.66 0.10 0.00 0.00 179.97 181.32 1xnr n TYR 31 N -4.57 0.20 -2.97 4.08 0.53 -0.89 -4.84 117.16 108.71 1xnr n TYR 31 Ca 0.09 0.06 -0.38 0.00 -1.02 0.00 0.00 57.90 56.65 1xnr n TYR 31 Cb 0.07 -0.56 -0.06 0.00 -1.03 0.00 0.00 39.34 37.76 1xnr n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1xnr s ILE 32 N -3.03 4.37 -0.19 -0.72 1.01 -0.88 -0.06 121.20 121.71 1xnr s ILE 32 Ca 0.13 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 62.30 1xnr s ILE 32 Cb 0.17 -4.06 -0.21 0.00 0.01 0.00 0.00 42.46 38.37 1xnr s ILE 32 CO 0.57 0.38 0.15 0.00 0.00 0.00 0.00 174.94 176.04 1xnr n TYR 33 N 1.21 0.87 0.00 3.97 9.36 0.36 -4.63 117.16 128.30 1xnr n TYR 33 Ca -0.03 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1xnr n TYR 33 Cb 0.49 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.10 1xnr n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xnr n ALA 34 N -3.34 0.00 -3.53 2.98 0.00 -1.23 -4.96 120.51 110.42 1xnr n ALA 34 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1xnr n ALA 34 Cb 0.89 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.25 1xnr n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1xnr s GLU 35 N -2.00 2.49 -0.18 0.00 2.02 -1.24 0.22 118.70 120.00 1xnr s GLU 35 Ca 0.00 -1.75 -0.04 0.00 0.02 0.00 0.00 54.97 53.20 1xnr s GLU 35 Cb 0.00 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 1xnr s GLU 35 CO 0.00 -1.19 -0.04 1.03 0.02 0.00 0.00 175.26 175.09 1xnr s ARG 36 N 1.37 3.55 -0.50 1.61 0.52 -0.15 -4.39 118.95 120.95 1xnr s ARG 36 Ca 0.06 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1xnr s ARG 36 Cb -0.26 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1xnr s ARG 36 CO -0.01 0.06 0.00 0.09 0.02 0.00 0.00 175.30 175.47 1xnr n ASN 37 N 4.05 -3.44 0.00 0.23 3.02 -1.26 -3.21 115.26 114.65 1xnr n ASN 37 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1xnr n ASN 37 Cb 0.52 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1xnr n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xnr n GLY 38 N -2.26 0.55 3.07 7.41 0.00 -1.26 -5.06 105.19 107.64 1xnr n GLY 38 Ca -0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1xnr n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnr s ILE 39 N -2.00 -0.01 0.47 -0.61 1.09 -1.20 -4.44 121.20 114.50 1xnr s ILE 39 Ca 0.00 0.04 -0.22 0.00 -1.10 0.00 0.00 60.65 59.37 1xnr s ILE 39 Cb 0.00 -0.31 -0.08 0.00 -1.06 0.00 0.00 42.46 41.01 1xnr s ILE 39 CO 0.00 0.02 1.10 -1.00 -0.10 0.00 0.00 174.94 174.95 1xnr s HIS 40 N 0.39 2.97 -0.28 3.97 3.76 -1.24 -0.98 115.29 123.88 1xnr s HIS 40 Ca -0.02 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 1xnr s HIS 40 Cb -0.04 -3.22 0.08 0.00 1.11 0.00 0.00 32.58 30.52 1xnr s HIS 40 CO -0.02 -1.12 0.03 0.42 -0.85 0.00 0.00 174.74 173.20 1xnr s ILE 41 N -1.73 1.32 0.33 0.60 1.01 0.13 -1.34 121.20 121.53 1xnr s ILE 41 Ca 0.65 -1.42 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 1xnr s ILE 41 Cb -0.23 -1.83 -0.15 0.00 0.01 0.00 0.00 42.46 40.26 1xnr s ILE 41 CO 0.28 -0.41 0.50 -0.38 0.00 0.00 0.00 174.94 174.93 1xnr n ILE 42 N 4.70 1.62 -2.78 2.92 5.41 -1.26 -0.48 119.36 129.48 1xnr n ILE 42 Ca -0.05 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.77 1xnr n ILE 42 Cb 0.43 -0.31 -0.03 0.00 -0.71 0.00 0.00 39.64 39.02 1xnr n ILE 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xnr s ASP 43 N -0.92 6.32 0.30 4.38 -1.08 0.91 -4.28 116.67 122.30 1xnr s ASP 43 Ca 0.62 -1.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.49 1xnr s ASP 43 Cb -0.73 -2.46 0.80 0.00 -1.46 0.00 0.00 42.92 39.07 1xnr s ASP 43 CO 0.59 -1.44 1.61 -0.07 0.52 0.00 0.00 175.17 176.38 1xnr h LEU 44 N 11.65 -0.15 -0.83 -1.34 3.38 -1.88 -0.83 115.31 125.31 1xnr h LEU 44 Ca -0.11 0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.30 1xnr h LEU 44 Cb 1.05 0.35 -0.14 0.00 0.09 0.00 0.00 40.66 42.01 1xnr h LEU 44 CO 1.22 -0.27 0.07 1.56 0.09 0.00 0.00 178.44 181.11 1xnr h GLN 45 N 0.10 0.12 0.00 1.13 4.20 -1.95 1.87 115.11 120.58 1xnr h GLN 45 Ca 0.60 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 59.24 1xnr h GLN 45 Cb 1.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1xnr h GLN 45 CO -0.77 0.08 -0.29 0.87 -0.67 0.00 0.00 178.83 178.05 1xnr h LYS 46 N 0.12 0.00 -0.55 1.46 1.57 -1.55 0.27 116.57 117.89 1xnr h LYS 46 Ca 0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1xnr h LYS 46 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1xnr h LYS 46 CO -0.71 0.29 0.23 1.15 -0.57 0.00 0.00 179.45 179.84 1xnr h THR 47 N 0.00 1.21 0.02 -0.16 2.02 0.30 0.33 112.91 116.64 1xnr h THR 47 Ca -0.00 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1xnr h THR 47 Cb 0.87 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1xnr h THR 47 CO 0.04 0.25 -0.01 0.24 0.37 0.00 0.00 175.52 176.41 1xnr h MET 48 N 0.74 -0.03 -0.83 6.66 2.86 0.20 -1.71 114.93 122.83 1xnr h MET 48 Ca 0.18 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 1xnr h MET 48 Cb 0.18 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.74 1xnr h MET 48 CO -0.02 0.32 0.38 0.93 1.06 0.00 0.00 176.91 179.58 1xnr h GLU 49 N -0.38 0.50 0.00 1.72 5.08 -0.16 0.13 114.58 121.47 1xnr h GLU 49 Ca -0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1xnr h GLU 49 Cb 0.36 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xnr h GLU 49 CO 0.00 0.33 -0.71 0.93 -1.00 0.00 0.00 179.01 178.57 1xnr h GLU 50 N 0.52 0.00 -0.62 2.33 4.39 -0.30 -3.08 114.58 117.81 1xnr h GLU 50 Ca 0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 1xnr h GLU 50 Cb 0.73 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1xnr h GLU 50 CO -0.41 0.71 0.35 -0.07 -1.16 0.00 0.00 179.01 178.43 1xnr h LEU 51 N 0.00 0.77 0.00 1.33 3.38 -0.04 -1.23 115.31 119.52 1xnr h LEU 51 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xnr h LEU 51 Cb 1.30 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xnr h LEU 51 CO 0.09 0.64 0.00 1.21 0.09 0.00 0.00 178.44 180.47 1xnr n GLU 52 N -4.56 0.00 -0.38 1.13 0.00 -0.59 0.12 120.64 116.36 1xnr n GLU 52 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.56 1xnr n GLU 52 Cb 0.08 -0.98 0.06 0.00 0.00 0.00 0.00 31.44 30.60 1xnr n GLU 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xnr n ARG 53 N -0.83 -0.20 0.02 5.31 1.74 -1.22 0.53 116.66 122.02 1xnr n ARG 53 Ca 0.00 1.53 -0.01 0.00 -0.77 0.00 0.00 57.85 58.59 1xnr n ARG 53 Cb 0.00 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 29.16 1xnr n ARG 53 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1xnr h THR 54 N 0.00 0.00 -0.91 0.55 2.02 -0.73 0.28 112.91 114.12 1xnr h THR 54 Ca 0.37 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.70 1xnr h THR 54 Cb 0.62 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 1xnr h THR 54 CO -0.99 0.00 0.58 -0.26 0.37 0.00 0.00 175.52 175.22 1xnr h PHE 55 N -0.07 0.87 -0.08 3.16 0.04 0.12 1.11 116.94 122.09 1xnr h PHE 55 Ca -0.01 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.82 1xnr h PHE 55 Cb 0.06 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 37.88 1xnr h PHE 55 CO -0.04 0.31 -0.51 -0.09 -0.60 0.00 0.00 178.31 177.38 1xnr h ARG 56 N 0.73 -0.58 -0.96 1.51 2.43 0.43 0.38 114.38 118.33 1xnr h ARG 56 Ca 0.46 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.79 1xnr h ARG 56 Cb 0.71 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 1xnr h ARG 56 CO -0.22 -0.39 0.61 0.35 -1.51 0.00 0.00 179.97 178.81 1xnr h PHE 57 N -0.60 1.05 0.11 2.20 3.57 0.39 -2.62 116.94 121.03 1xnr h PHE 57 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xnr h PHE 57 Cb 0.69 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1xnr h PHE 57 CO -0.53 0.43 -0.13 0.82 -2.23 0.00 0.00 178.31 176.66 1xnr h ILE 58 N 0.92 0.00 -0.98 1.41 1.08 0.49 -2.84 117.51 117.60 1xnr h ILE 58 Ca 0.47 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 65.12 1xnr h ILE 58 Cb 0.51 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.15 1xnr h ILE 58 CO -0.23 0.00 0.58 1.05 -0.69 0.00 0.00 178.15 178.86 1xnr h GLU 59 N -0.24 0.73 0.00 2.37 4.11 -0.77 -0.81 114.58 119.96 1xnr h GLU 59 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1xnr h GLU 59 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xnr h GLU 59 CO -0.03 0.48 0.00 -0.25 0.07 0.00 0.00 179.01 179.28 1xnr n ASP 60 N -4.78 0.00 0.21 3.06 8.00 -1.00 -0.32 116.55 121.73 1xnr n ASP 60 Ca 0.22 0.71 0.16 0.00 0.71 0.00 0.00 54.79 56.60 1xnr n ASP 60 Cb 0.53 -0.21 0.68 0.00 -0.02 0.00 0.00 41.12 42.10 1xnr n ASP 60 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1xnr h LEU 61 N 0.00 0.00 0.31 0.64 -0.00 -1.27 -1.64 115.31 113.34 1xnr h LEU 61 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1xnr h LEU 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1xnr h LEU 61 CO 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 178.44 178.29 1xnr h ALA 62 N 1.19 -0.69 0.00 1.53 0.00 0.57 0.86 119.26 122.72 1xnr h ALA 62 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xnr h ALA 62 Cb 1.11 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnr h ALA 62 CO -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.59 1xnr h MET 63 N -0.63 0.00 0.00 0.00 -0.00 -0.07 0.94 114.93 115.17 1xnr h MET 63 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1xnr h MET 63 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1xnr h MET 63 CO 0.07 0.00 0.00 0.54 -0.00 0.00 0.00 176.91 177.52 1xnr n ARG 64 N -2.38 0.02 -1.00 -0.10 1.74 -0.67 -4.89 116.66 109.37 1xnr n ARG 64 Ca -0.01 0.05 -0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1xnr n ARG 64 Cb 0.09 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1xnr n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xnr n GLY 65 N 1.29 0.44 3.77 -0.13 0.00 0.33 -5.03 105.19 105.85 1xnr n GLY 65 Ca 0.06 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1xnr n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnr s GLY 66 N -2.52 2.97 0.79 -0.02 0.00 0.27 -5.02 107.32 103.78 1xnr s GLY 66 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 44.72 45.15 1xnr s GLY 66 CO 0.00 1.05 1.09 -0.51 0.00 0.00 0.00 173.10 174.73 1xnr s THR 67 N -1.35 3.19 -0.23 0.90 -4.23 -1.26 -4.60 115.64 108.07 1xnr s THR 67 Ca 0.44 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1xnr s THR 67 Cb -0.23 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.59 1xnr s THR 67 CO 0.28 -0.51 0.21 -0.63 -0.54 0.00 0.00 174.62 173.44 1xnr s ILE 68 N -3.13 -0.28 -0.15 2.99 1.01 -1.26 -3.05 121.20 117.31 1xnr s ILE 68 Ca 0.60 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1xnr s ILE 68 Cb -0.14 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1xnr s ILE 68 CO 0.54 -0.33 1.13 -0.22 0.00 0.00 0.00 174.94 176.07 1xnr s LEU 69 N 2.29 4.19 -0.03 2.97 0.20 -1.23 -4.15 118.68 122.92 1xnr s LEU 69 Ca 0.07 1.58 -0.15 0.00 0.69 0.00 0.00 54.13 56.32 1xnr s LEU 69 Cb -0.15 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.01 1xnr s LEU 69 CO -0.19 -0.64 0.42 -0.36 -0.29 0.00 0.00 176.35 175.29 1xnr s PHE 70 N 2.88 3.68 -0.07 5.38 0.40 -1.03 -0.86 117.98 128.36 1xnr s PHE 70 Ca 0.50 0.97 0.03 0.00 -0.60 0.00 0.00 56.93 57.83 1xnr s PHE 70 Cb -0.19 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.00 1xnr s PHE 70 CO 0.14 0.54 -0.17 0.14 0.70 0.00 0.00 175.22 176.57 1xnr s VAL 71 N -0.71 1.49 -0.32 -0.44 -7.23 0.35 -2.00 120.40 111.54 1xnr s VAL 71 Ca 0.24 -0.70 0.06 0.00 -1.81 0.00 0.00 61.98 59.77 1xnr s VAL 71 Cb -0.16 -1.31 0.19 0.00 0.56 0.00 0.00 36.38 35.66 1xnr s VAL 71 CO 0.13 0.43 0.59 -0.83 -0.31 0.00 0.00 175.10 175.11 1xnr s GLY 72 N 0.44 -1.23 -0.13 2.32 0.00 -0.88 -1.89 107.32 105.95 1xnr s GLY 72 Ca -0.14 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.40 1xnr s GLY 72 CO 0.05 3.65 0.33 2.41 0.00 0.00 0.00 173.10 179.54 1xnr n THR 73 N 5.13 1.62 -1.39 0.90 -1.04 -1.26 -4.32 114.28 113.91 1xnr n THR 73 Ca 0.07 -0.72 -0.44 0.00 -2.04 0.00 0.00 64.05 60.91 1xnr n THR 73 Cb 0.55 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 1xnr n THR 73 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1xnr n LYS 74 N -3.19 0.25 0.08 -2.82 4.81 -1.26 -4.73 118.16 111.30 1xnr n LYS 74 Ca -0.29 0.09 -0.09 0.00 -0.87 0.00 0.00 58.31 57.15 1xnr n LYS 74 Cb 1.06 -1.19 -0.00 0.00 0.02 0.00 0.00 35.03 34.91 1xnr n LYS 74 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1xnr h LYS 75 N 0.80 0.24 0.00 1.64 1.79 -1.96 -2.27 116.57 116.82 1xnr h LYS 75 Ca -0.35 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1xnr h LYS 75 Cb 1.42 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1xnr h LYS 75 CO 0.52 0.96 0.00 1.04 -1.08 0.00 0.00 179.45 180.90 1xnr n GLN 76 N -3.70 0.00 -0.38 3.15 1.13 -1.26 -2.62 117.38 113.70 1xnr n GLN 76 Ca -0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1xnr n GLN 76 Cb 0.79 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.68 1xnr n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xnr n ALA 77 N -0.94 1.66 0.43 -1.58 0.00 -1.20 -3.93 120.51 114.95 1xnr n ALA 77 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xnr n ALA 77 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1xnr n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xnr n GLN 78 N 0.00 0.05 -0.11 0.00 7.27 -0.86 -2.37 117.38 121.36 1xnr n GLN 78 Ca 0.00 0.27 -0.21 0.00 0.07 0.00 0.00 57.00 57.13 1xnr n GLN 78 Cb 0.45 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.51 1xnr n GLN 78 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1xnr n ASP 79 N -1.43 1.92 -0.06 1.69 8.00 -1.26 -4.37 116.55 121.04 1xnr n ASP 79 Ca 0.03 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 1xnr n ASP 79 Cb 0.12 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1xnr n ASP 79 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xnr h ILE 80 N -0.49 0.43 0.00 0.53 5.03 -1.90 0.25 117.51 121.36 1xnr h ILE 80 Ca -0.55 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.19 1xnr h ILE 80 Cb 1.62 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1xnr h ILE 80 CO -0.24 0.00 0.00 0.52 -0.68 0.00 0.00 178.15 177.75 1xnr n VAL 81 N -5.36 0.00 -0.08 1.67 0.31 -1.00 -1.73 118.33 112.14 1xnr n VAL 81 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1xnr n VAL 81 Cb 0.28 -0.71 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 1xnr n VAL 81 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1xnr n ARG 82 N -0.78 0.99 -0.06 5.55 1.85 0.85 -4.15 116.66 120.92 1xnr n ARG 82 Ca 0.02 0.06 -0.03 0.00 -1.00 0.00 0.00 57.85 56.90 1xnr n ARG 82 Cb 0.01 -1.34 -0.02 0.00 -1.05 0.00 0.00 32.46 30.06 1xnr n ARG 82 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1xnr h MET 83 N 0.00 0.00 -0.70 2.89 2.86 -1.01 -1.46 114.93 117.51 1xnr h MET 83 Ca -0.37 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1xnr h MET 83 Cb 1.68 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.30 1xnr h MET 83 CO -0.03 0.11 0.47 0.93 1.06 0.00 0.00 176.91 179.45 1xnr h GLU 84 N -1.00 0.43 0.00 1.72 4.39 -1.72 0.72 114.58 119.12 1xnr h GLU 84 Ca -0.01 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1xnr h GLU 84 Cb 0.22 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1xnr h GLU 84 CO -0.01 0.29 -0.52 0.00 -1.16 0.00 0.00 179.01 177.61 1xnr h ALA 85 N 1.66 0.91 0.00 3.43 0.00 -1.72 -3.09 119.26 120.45 1xnr h ALA 85 Ca 0.33 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1xnr h ALA 85 Cb 0.68 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xnr h ALA 85 CO -0.10 0.66 -1.00 0.93 0.00 0.00 0.00 179.25 179.73 1xnr h GLU 86 N 0.00 0.00 0.00 0.00 5.08 0.13 -3.27 114.58 116.52 1xnr h GLU 86 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xnr h GLU 86 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1xnr h GLU 86 CO 0.07 0.72 0.00 0.54 -1.00 0.00 0.00 179.01 179.33 1xnr n ARG 87 N -3.22 0.00 -1.75 2.33 1.74 0.12 -4.50 116.66 111.38 1xnr n ARG 87 Ca -0.03 0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 57.03 1xnr n ARG 87 Cb 0.89 -1.31 0.04 0.00 -1.02 0.00 0.00 32.46 31.05 1xnr n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xnr s ALA 88 N -2.79 2.93 -1.71 7.54 0.00 -1.21 -4.74 121.76 121.78 1xnr s ALA 88 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1xnr s ALA 88 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1xnr s ALA 88 CO 0.00 -1.37 0.35 0.41 0.00 0.00 0.00 175.76 175.15 1xnr n GLY 89 N 0.69 0.00 3.60 0.00 0.00 -1.26 -4.77 105.19 103.45 1xnr n GLY 89 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1xnr n GLY 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xnr n MET 90 N -0.84 1.36 -2.40 1.61 2.81 -1.23 -5.02 117.12 113.40 1xnr n MET 90 Ca 0.00 0.48 -0.25 0.00 -1.81 0.00 0.00 57.70 56.12 1xnr n MET 90 Cb 0.00 -1.96 0.13 0.00 -0.71 0.00 0.00 33.22 30.68 1xnr n MET 90 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1xnr s PRO 91 N -1.81 1.39 0.23 0.03 0.02 -1.26 -4.43 135.00 129.18 1xnr s PRO 91 Ca 0.61 -0.92 -0.21 0.00 0.02 0.00 0.00 61.00 60.51 1xnr s PRO 91 Cb -0.61 -2.20 0.07 0.00 0.02 0.00 0.00 34.50 31.78 1xnr s PRO 91 CO 0.58 -1.72 0.97 1.52 -0.33 0.00 0.00 177.00 178.02 1xnr s TYR 92 N -3.35 0.06 -0.24 6.54 -0.85 -0.65 -2.46 117.35 116.41 1xnr s TYR 92 Ca 0.68 -0.53 -0.04 0.00 -0.52 0.00 0.00 57.07 56.66 1xnr s TYR 92 Cb -0.05 0.73 0.08 0.00 0.38 0.00 0.00 41.96 43.11 1xnr s TYR 92 CO 0.47 -1.09 0.12 0.14 -1.52 0.00 0.00 175.55 173.68 1xnr s VAL 93 N -2.32 -0.10 -0.27 -3.49 -7.23 -0.85 -0.68 120.40 105.47 1xnr s VAL 93 Ca 0.19 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.78 1xnr s VAL 93 Cb -0.03 -0.80 -0.12 0.00 0.56 0.00 0.00 36.38 35.99 1xnr s VAL 93 CO 0.07 -0.51 -0.33 -3.20 -0.31 0.00 0.00 175.10 170.82 1xnr n ASN 94 N 5.27 1.93 0.00 4.85 5.15 -1.26 -2.06 115.26 129.13 1xnr n ASN 94 Ca -0.06 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1xnr n ASN 94 Cb 0.45 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1xnr n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xnr n GLN 95 N -4.06 0.00 -4.55 1.20 1.13 -1.26 -4.21 117.38 105.62 1xnr n GLN 95 Ca -0.52 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.29 1xnr n GLN 95 Cb 0.90 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 31.08 1xnr n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xnr s ARG 96 N 0.00 1.71 -0.46 -1.09 3.00 -1.26 -4.56 118.95 116.28 1xnr s ARG 96 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 55.73 55.05 1xnr s ARG 96 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 34.95 33.49 1xnr s ARG 96 CO 0.00 0.01 1.97 -0.46 0.00 0.00 0.00 175.30 176.82 1xnr s TRP 97 N 0.72 1.56 0.96 -0.53 -0.00 -1.26 -4.97 118.94 115.42 1xnr s TRP 97 Ca -0.14 0.86 -0.11 0.00 -0.00 0.00 0.00 56.10 56.72 1xnr s TRP 97 Cb -0.16 -3.99 0.17 0.00 -0.00 0.00 0.00 33.47 29.49 1xnr s TRP 97 CO 0.03 -2.71 1.13 -0.51 -0.00 0.00 0.00 176.95 174.89 1xnr s LEU 98 N 8.86 2.47 -0.21 5.86 1.43 -1.26 -4.95 118.68 130.89 1xnr s LEU 98 Ca 0.80 2.08 -0.21 0.00 -1.03 0.00 0.00 54.13 55.77 1xnr s LEU 98 Cb -0.18 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1xnr s LEU 98 CO 0.27 -3.34 0.66 -0.83 0.23 0.00 0.00 176.35 173.34 1xnr s GLY 99 N -2.62 2.00 0.00 -3.19 0.00 -1.26 -3.70 107.32 98.55 1xnr s GLY 99 Ca 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1xnr s GLY 99 CO 0.59 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.70 1xnr n GLY 100 N 3.82 0.87 0.34 0.20 0.00 -1.26 -4.91 105.19 104.26 1xnr n GLY 100 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1xnr n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xnr h MET 101 N 3.72 0.79 0.00 1.61 0.00 -1.86 1.84 114.93 121.04 1xnr h MET 101 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.65 1xnr h MET 101 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 31.60 31.42 1xnr h MET 101 CO 0.00 0.52 -0.75 1.28 0.00 0.00 0.00 176.91 177.96 1xnr n LEU 102 N -4.74 1.75 0.00 1.22 4.32 -1.26 -2.36 117.00 115.93 1xnr n LEU 102 Ca 0.20 0.42 0.02 0.00 -0.02 0.00 0.00 56.01 56.63 1xnr n LEU 102 Cb 0.45 -0.77 0.10 0.00 -1.62 0.00 0.00 43.42 41.59 1xnr n LEU 102 CO 0.23 -0.36 0.52 0.35 -1.22 0.00 0.00 177.39 176.91 1xnr n THR 103 N -4.36 1.26 -1.92 -5.08 -2.24 -1.23 -0.92 114.28 99.78 1xnr n THR 103 Ca -0.11 0.32 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1xnr n THR 103 Cb 0.39 -1.24 0.04 0.00 -2.10 0.00 0.00 70.33 67.42 1xnr n THR 103 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xnr n ASN 104 N -1.37 0.72 -0.32 3.42 2.85 0.62 -4.87 115.26 116.31 1xnr n ASN 104 Ca 0.02 -2.31 0.02 0.00 -0.11 0.00 0.00 54.58 52.20 1xnr n ASN 104 Cb 0.04 -0.28 0.09 0.00 1.24 0.00 0.00 39.78 40.87 1xnr n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1xnr h PHE 105 N 0.28 -0.66 -1.70 1.20 3.57 -0.10 0.76 116.94 120.29 1xnr h PHE 105 Ca -0.05 0.09 0.49 0.00 3.53 0.00 0.00 57.97 62.03 1xnr h PHE 105 Cb 1.41 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 40.51 1xnr h PHE 105 CO 0.14 -0.39 1.26 -0.22 -2.23 0.00 0.00 178.31 176.87 1xnr h LYS 106 N -0.02 0.00 0.00 1.11 1.63 -1.86 0.17 116.57 117.60 1xnr h LYS 106 Ca 0.39 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.83 1xnr h LYS 106 Cb 0.63 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.20 1xnr h LYS 106 CO -0.91 0.00 -2.22 2.41 -3.45 0.00 0.00 179.45 175.28 1xnr n THR 107 N -3.95 1.20 0.26 1.00 -1.04 0.24 -3.89 114.28 108.11 1xnr n THR 107 Ca 0.38 -0.32 0.17 0.00 -2.04 0.00 0.00 64.05 62.23 1xnr n THR 107 Cb 1.78 -1.73 0.79 0.00 -1.82 0.00 0.00 70.33 69.34 1xnr n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1xnr h ILE 108 N -0.69 0.13 0.17 12.58 1.08 -0.28 0.85 117.51 131.34 1xnr h ILE 108 Ca -0.55 0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 63.63 1xnr h ILE 108 Cb 1.51 0.66 0.02 0.00 -3.07 0.00 0.00 36.82 35.94 1xnr h ILE 108 CO -0.31 0.00 -1.32 0.28 -0.69 0.00 0.00 178.15 176.11 1xnr h SER 109 N 0.00 0.63 0.00 1.72 0.02 -0.89 -3.15 113.55 111.89 1xnr h SER 109 Ca 0.06 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1xnr h SER 109 Cb 0.80 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1xnr h SER 109 CO -0.00 1.51 0.37 -0.61 -1.14 0.00 0.00 176.83 176.96 1xnr h GLN 110 N 0.13 0.00 0.00 3.45 4.15 0.63 0.44 115.11 123.91 1xnr h GLN 110 Ca -0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 1xnr h GLN 110 Cb 2.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.72 1xnr h GLN 110 CO 0.23 0.00 -0.00 0.00 -1.93 0.00 0.00 178.83 177.13 1xnr h ARG 111 N 0.00 -0.01 -0.66 1.69 2.47 -1.48 -3.28 114.38 113.11 1xnr h ARG 111 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1xnr h ARG 111 Cb 0.75 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.03 1xnr h ARG 111 CO 0.00 0.75 0.41 0.28 0.56 0.00 0.00 179.97 181.98 1xnr h VAL 112 N -0.78 1.09 0.00 2.04 2.07 -0.36 0.32 116.25 120.64 1xnr h VAL 112 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xnr h VAL 112 Cb 0.76 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1xnr h VAL 112 CO 0.00 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.15 1xnr n HIS 113 N -4.69 0.00 0.00 1.57 8.25 0.05 -0.53 115.22 119.87 1xnr n HIS 113 Ca 0.07 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1xnr n HIS 113 Cb 0.08 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1xnr n HIS 113 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1xnr n ARG 114 N 0.60 1.51 0.03 -0.41 0.00 -0.09 -4.77 116.66 113.52 1xnr n ARG 114 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1xnr n ARG 114 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 32.46 32.26 1xnr n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1xnr h LEU 115 N 0.00 -0.06 -1.39 6.15 5.85 0.11 -2.47 115.31 123.50 1xnr h LEU 115 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xnr h LEU 115 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xnr h LEU 115 CO 0.00 -0.02 0.22 -0.33 -0.34 0.00 0.00 178.44 177.97 1xnr h GLU 116 N -0.13 0.00 0.00 1.25 5.08 -1.84 0.48 114.58 119.43 1xnr h GLU 116 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1xnr h GLU 116 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xnr h GLU 116 CO 0.01 0.00 -0.13 1.49 -1.00 0.00 0.00 179.01 179.38 1xnr h GLU 117 N 0.00 0.00 0.06 2.33 4.22 -1.72 -3.28 114.58 116.19 1xnr h GLU 117 Ca 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.09 1xnr h GLU 117 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1xnr h GLU 117 CO 0.00 0.13 -2.08 1.28 -2.18 0.00 0.00 179.01 176.16 1xnr n LEU 118 N -3.15 2.02 0.08 1.64 4.77 0.17 -3.79 117.00 118.73 1xnr n LEU 118 Ca 0.03 0.16 0.03 0.00 -0.03 0.00 0.00 56.01 56.20 1xnr n LEU 118 Cb 0.53 -0.60 0.17 0.00 -2.33 0.00 0.00 43.42 41.19 1xnr n LEU 118 CO 0.34 0.73 0.64 -0.62 -1.33 0.00 0.00 177.39 177.15 1xnr n GLU 119 N -3.25 0.04 0.06 3.23 1.02 -1.04 -1.08 120.64 119.63 1xnr n GLU 119 Ca -0.32 0.43 -0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1xnr n GLU 119 Cb 1.05 -1.87 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1xnr n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xnr h ALA 120 N 1.25 -0.34 -0.86 0.62 0.00 -1.65 -3.30 119.26 114.98 1xnr h ALA 120 Ca 0.00 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1xnr h ALA 120 Cb 0.46 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1xnr h ALA 120 CO 0.00 -0.32 0.58 -0.07 0.00 0.00 0.00 179.25 179.43 1xnr h LEU 121 N -0.61 0.34 -6.02 0.00 3.38 -1.29 -2.67 115.31 108.43 1xnr h LEU 121 Ca -0.02 0.03 -0.75 0.00 0.09 0.00 0.00 57.88 57.23 1xnr h LEU 121 Cb 0.16 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.74 1xnr h LEU 121 CO 0.04 0.14 2.17 0.49 0.09 0.00 0.00 178.44 181.36 1xnr n PHE 122 N -4.47 2.71 -0.06 1.13 3.72 -0.84 -2.73 117.46 116.91 1xnr n PHE 122 Ca 0.18 -2.79 0.00 0.00 -0.05 0.00 0.00 57.45 54.79 1xnr n PHE 122 Cb 0.69 -1.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.39 1xnr n PHE 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xnr n ALA 123 N 2.51 0.00 -2.55 4.37 0.00 -1.01 -4.86 120.51 118.97 1xnr n ALA 123 Ca 0.52 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.71 1xnr n ALA 123 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 1xnr n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xnr s SER 124 N 0.00 4.08 0.00 0.00 1.04 -1.11 -4.98 113.70 112.73 1xnr s SER 124 Ca 0.00 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.74 1xnr s SER 124 Cb 0.00 -0.60 0.38 0.00 0.10 0.00 0.00 66.02 65.91 1xnr s SER 124 CO 0.00 0.06 0.79 -0.81 0.98 0.00 0.00 173.24 174.26 1xnr n PRO 125 N -0.41 0.26 0.00 4.02 -0.04 -1.26 -1.91 135.00 135.66 1xnr n PRO 125 Ca -0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1xnr n PRO 125 Cb 0.58 -1.38 0.70 0.00 -0.04 0.00 0.00 33.50 33.35 1xnr n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xnr n GLU 126 N -0.88 0.74 0.00 0.54 1.02 -1.26 -3.67 120.64 117.13 1xnr n GLU 126 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xnr n GLU 126 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1xnr n GLU 126 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xnr n ILE 127 N -1.00 0.03 -2.39 -3.67 -5.35 -0.80 -3.03 119.36 103.15 1xnr n ILE 127 Ca 0.18 0.01 -0.32 0.00 -0.27 0.00 0.00 62.75 62.34 1xnr n ILE 127 Cb 0.08 -1.01 0.01 0.00 -1.74 0.00 0.00 39.64 36.98 1xnr n ILE 127 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xnr n GLU 128 N -0.96 3.39 -3.53 6.28 4.71 -1.24 -4.94 120.64 124.34 1xnr n GLU 128 Ca 0.00 -4.27 -0.40 0.00 -0.01 0.00 0.00 57.16 52.48 1xnr n GLU 128 Cb 0.00 -2.28 -0.11 0.00 -1.01 0.00 0.00 31.44 28.05 1xnr n GLU 128 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1xnr s GLU 129 N -3.77 3.61 0.43 3.49 8.01 -1.17 -4.95 118.70 124.34 1xnr s GLU 129 Ca 0.49 -0.55 0.00 0.00 0.01 0.00 0.00 54.97 54.92 1xnr s GLU 129 Cb 0.38 -3.77 0.00 0.00 -4.31 0.00 0.00 34.13 26.42 1xnr s GLU 129 CO -0.25 -0.39 0.00 0.54 0.01 0.00 0.00 175.26 175.18 1xnr n ARG 130 N 5.11 -2.38 0.00 1.61 5.12 -1.26 -4.37 116.66 120.49 1xnr n ARG 130 Ca -0.13 1.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.70 1xnr n ARG 130 Cb 0.50 -2.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.01 1xnr n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1xnr n PRO 131 N -3.73 -0.26 0.00 5.56 -0.04 -1.26 -4.51 135.00 130.76 1xnr n PRO 131 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1xnr n PRO 131 Cb 0.49 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1xnr n PRO 131 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xnr n LYS 132 N -0.93 0.00 -0.03 0.54 4.76 -1.26 -2.03 118.16 119.22 1xnr n LYS 132 Ca 0.00 0.35 -0.12 0.00 -2.87 0.00 0.00 58.31 55.68 1xnr n LYS 132 Cb 0.00 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.48 1xnr n LYS 132 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1xnr h LYS 133 N 0.00 -0.44 0.00 1.97 1.79 -1.93 -3.09 116.57 114.86 1xnr h LYS 133 Ca 0.00 0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 1xnr h LYS 133 Cb 0.30 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1xnr h LYS 133 CO 0.00 -0.29 -2.09 0.39 -1.08 0.00 0.00 179.45 176.38 1xnr n GLU 134 N -5.43 0.67 0.28 3.15 4.71 -0.87 -3.24 120.64 119.91 1xnr n GLU 134 Ca -0.03 -0.02 0.06 0.00 -0.01 0.00 0.00 57.16 57.15 1xnr n GLU 134 Cb 0.36 -1.57 0.30 0.00 -1.01 0.00 0.00 31.44 29.51 1xnr n GLU 134 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1xnr h GLN 135 N 0.00 0.00 0.00 3.49 1.08 -1.33 -2.67 115.11 115.68 1xnr h GLN 135 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1xnr h GLN 135 Cb 1.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 1xnr h GLN 135 CO 0.02 0.00 -0.25 0.28 -0.95 0.00 0.00 178.83 177.93 1xnr n VAL 136 N -2.43 0.00 -0.29 -0.54 0.31 -1.19 -4.53 118.33 109.66 1xnr n VAL 136 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1xnr n VAL 136 Cb 0.68 -0.19 0.25 0.00 -0.91 0.00 0.00 33.84 33.67 1xnr n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1xnr h ARG 137 N 0.00 0.19 0.13 5.55 2.43 -1.50 0.30 114.38 121.49 1xnr h ARG 137 Ca 0.00 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1xnr h ARG 137 Cb 0.25 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1xnr h ARG 137 CO 0.00 0.13 -0.78 -0.07 -1.51 0.00 0.00 179.97 177.73 1xnr h LEU 138 N 0.20 0.45 -1.35 3.80 3.38 -1.74 -3.13 115.31 116.91 1xnr h LEU 138 Ca 0.51 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xnr h LEU 138 Cb 0.98 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1xnr h LEU 138 CO -0.64 1.38 0.29 0.50 0.09 0.00 0.00 178.44 180.06 1xnr h LYS 139 N -0.40 0.00 0.05 1.13 3.11 -1.26 0.85 116.57 120.05 1xnr h LYS 139 Ca -0.14 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.46 1xnr h LYS 139 Cb 1.62 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.83 1xnr h LYS 139 CO 0.14 0.00 -1.15 0.45 -2.81 0.00 0.00 179.45 176.08 1xnr h HIS 140 N 0.00 0.19 -0.32 1.91 3.86 -0.42 -3.24 115.15 117.14 1xnr h HIS 140 Ca 0.00 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1xnr h HIS 140 Cb 0.58 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1xnr h HIS 140 CO 0.00 1.12 0.14 0.93 0.86 0.00 0.00 177.93 180.97 1xnr h GLU 141 N 0.03 0.47 -0.98 2.45 5.08 0.66 -1.45 114.58 120.83 1xnr h GLU 141 Ca -0.08 -0.08 0.22 0.00 -1.00 0.00 0.00 59.36 58.42 1xnr h GLU 141 Cb 1.86 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.94 1xnr h GLU 141 CO 0.15 0.46 0.62 1.25 -1.00 0.00 0.00 179.01 180.50 1xnr h LEU 142 N 0.37 0.58 0.20 1.33 5.85 -1.59 -0.21 115.31 121.83 1xnr h LEU 142 Ca 0.11 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1xnr h LEU 142 Cb 0.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xnr h LEU 142 CO -0.01 0.19 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.85 1xnr h GLU 143 N 0.55 -0.25 -0.18 1.25 4.39 -1.31 0.04 114.58 119.07 1xnr h GLU 143 Ca 0.55 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.29 1xnr h GLU 143 Cb 1.15 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1xnr h GLU 143 CO -0.30 -0.17 -0.11 -2.13 -1.16 0.00 0.00 179.01 175.15 1xnr n ARG 144 N -2.73 -0.08 0.00 2.33 3.00 -0.54 -1.44 116.66 117.21 1xnr n ARG 144 Ca -0.03 0.76 -0.00 0.00 -0.00 0.00 0.00 57.85 58.57 1xnr n ARG 144 Cb 0.10 -1.13 -0.00 0.00 0.00 0.00 0.00 32.46 31.43 1xnr n ARG 144 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xnr h LEU 145 N 0.00 -0.04 -1.20 6.15 3.38 -1.09 -0.27 115.31 122.24 1xnr h LEU 145 Ca 0.03 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.37 1xnr h LEU 145 Cb 0.07 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1xnr h LEU 145 CO -0.17 -0.01 0.83 0.00 0.09 0.00 0.00 178.44 179.18 1xnr n GLN 146 N -2.56 -0.01 0.12 1.13 1.13 -0.00 -0.41 117.38 116.78 1xnr n GLN 146 Ca -0.00 0.80 -0.05 0.00 -1.94 0.00 0.00 57.00 55.80 1xnr n GLN 146 Cb 0.01 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 28.62 1xnr n GLN 146 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1xnr h LYS 147 N 0.00 -0.32 0.00 -1.09 1.57 0.13 -3.36 116.57 113.50 1xnr h LYS 147 Ca 0.63 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.39 1xnr h LYS 147 Cb 2.35 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.73 1xnr h LYS 147 CO -0.14 -0.22 -0.30 1.88 -0.57 0.00 0.00 179.45 180.11 1xnr h TYR 148 N -0.54 0.00 -0.05 -1.35 0.99 -0.36 -3.38 116.97 112.27 1xnr h TYR 148 Ca -0.03 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 1xnr h TYR 148 Cb 0.26 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.96 1xnr h TYR 148 CO 0.07 0.77 -0.07 1.28 -0.00 0.00 0.00 178.16 180.21 1xnr n LEU 149 N -4.62 5.41 0.08 3.88 4.77 -0.09 -4.28 117.00 122.15 1xnr n LEU 149 Ca -0.12 -2.71 0.12 0.00 -0.03 0.00 0.00 56.01 53.27 1xnr n LEU 149 Cb 0.39 -1.21 0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1xnr n LEU 149 CO 0.21 1.22 0.17 0.77 -1.33 0.00 0.00 177.39 178.43 1xnr h SER 150 N 1.61 0.00 0.00 -1.43 4.64 -1.71 -3.31 113.55 113.35 1xnr h SER 150 Ca 0.08 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1xnr h SER 150 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xnr h SER 150 CO 0.13 0.06 -0.68 0.61 -0.87 0.00 0.00 176.83 176.08 1xnr n GLY 151 N 1.26 0.00 0.00 -0.77 0.00 -1.23 -4.53 105.19 99.92 1xnr n GLY 151 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1xnr n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xnr n PHE 152 N -1.30 0.00 -0.29 1.61 7.35 0.15 -1.63 117.46 123.35 1xnr n PHE 152 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1xnr n PHE 152 Cb 0.19 -0.12 0.07 0.00 0.35 0.00 0.00 39.48 39.97 1xnr n PHE 152 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1xnr h ARG 153 N 0.00 1.07 0.00 -4.13 2.43 -1.80 -3.32 114.38 108.63 1xnr h ARG 153 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xnr h ARG 153 Cb 0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1xnr h ARG 153 CO 0.00 0.74 0.00 1.28 -1.51 0.00 0.00 179.97 180.48 1xnr n LEU 154 N -4.49 0.00 -0.71 3.80 4.77 -1.20 -4.83 117.00 114.34 1xnr n LEU 154 Ca 0.08 0.89 -0.10 0.00 -0.03 0.00 0.00 56.01 56.85 1xnr n LEU 154 Cb 0.05 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1xnr n LEU 154 CO 0.37 -0.39 0.11 0.18 -1.33 0.00 0.00 177.39 176.33 1xnr n LEU 155 N -1.69 0.05 0.00 2.23 4.77 -1.25 -4.84 117.00 116.27 1xnr n LEU 155 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1xnr n LEU 155 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1xnr n LEU 155 CO 0.00 -0.25 0.12 0.29 -1.33 0.00 0.00 177.39 176.22 1xnr n LYS 156 N 0.33 2.67 -3.44 3.23 4.76 -1.26 -5.03 118.16 119.41 1xnr n LYS 156 Ca 0.04 -0.24 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1xnr n LYS 156 Cb 0.01 -0.72 -0.03 0.00 -1.84 0.00 0.00 35.03 32.45 1xnr n LYS 156 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1xnr s ARG 157 N -0.45 1.22 0.49 1.97 1.70 -1.26 -5.14 118.95 117.48 1xnr s ARG 157 Ca 0.00 -0.34 -0.20 0.00 -0.47 0.00 0.00 55.73 54.72 1xnr s ARG 157 Cb 0.00 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.83 1xnr s ARG 157 CO 0.00 -0.51 0.46 1.28 -1.08 0.00 0.00 175.30 175.45 1xnr n LEU 158 N -0.16 -0.09 -4.68 -1.89 4.77 -1.26 -4.91 117.00 108.78 1xnr n LEU 158 Ca -0.17 0.81 -0.29 0.00 -0.03 0.00 0.00 56.01 56.32 1xnr n LEU 158 Cb 0.64 -1.11 0.16 0.00 -2.33 0.00 0.00 43.42 40.78 1xnr n LEU 158 CO 0.14 -3.17 0.64 -2.16 -1.33 0.00 0.00 177.39 171.51 1xnr s PRO 159 N -1.73 0.82 0.24 3.23 0.04 -1.26 -4.93 135.00 131.41 1xnr s PRO 159 Ca 0.65 0.82 0.23 0.00 0.04 0.00 0.00 61.00 62.74 1xnr s PRO 159 Cb -0.52 -1.76 0.21 0.00 0.04 0.00 0.00 34.50 32.47 1xnr s PRO 159 CO 0.57 -2.54 1.29 -0.44 0.04 0.00 0.00 177.00 175.92 1xnr h ASP 160 N -1.77 0.00 -0.68 6.66 3.32 -1.89 -3.48 116.42 118.58 1xnr h ASP 160 Ca -0.51 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1xnr h ASP 160 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1xnr h ASP 160 CO 0.54 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1xnr n ALA 161 N -2.05 0.00 -3.67 3.45 0.00 -1.24 -4.16 120.51 112.84 1xnr n ALA 161 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1xnr n ALA 161 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1xnr n ALA 161 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xnr s ILE 162 N -2.72 -0.02 -0.48 0.00 1.01 -0.90 -3.50 121.20 114.60 1xnr s ILE 162 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1xnr s ILE 162 Cb 0.00 -0.81 0.10 0.00 0.01 0.00 0.00 42.46 41.77 1xnr s ILE 162 CO 0.00 0.02 0.37 0.12 0.00 0.00 0.00 174.94 175.45 1xnr s PHE 163 N 1.53 3.33 -0.21 3.97 5.99 -0.04 0.25 117.98 132.80 1xnr s PHE 163 Ca -0.10 -1.49 -0.12 0.00 0.00 0.00 0.00 56.93 55.22 1xnr s PHE 163 Cb -0.07 -3.40 -0.05 0.00 0.00 0.00 0.00 43.02 39.51 1xnr s PHE 163 CO -0.16 -0.93 0.23 0.08 -0.00 0.00 0.00 175.22 174.43 1xnr s VAL 164 N 1.48 5.33 0.00 3.12 1.01 -0.45 -0.49 120.40 130.39 1xnr s VAL 164 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1xnr s VAL 164 Cb -0.26 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1xnr s VAL 164 CO 0.02 0.35 0.24 0.52 0.00 0.00 0.00 175.10 176.24 1xnr n VAL 165 N 3.99 0.00 -3.36 2.92 0.31 -0.79 -1.46 118.33 119.95 1xnr n VAL 165 Ca -0.13 0.53 -0.44 0.00 -0.01 0.00 0.00 64.34 64.29 1xnr n VAL 165 Cb 0.52 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.26 1xnr n VAL 165 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xnr s ASP 166 N -1.57 6.16 0.05 4.52 2.15 -1.26 -3.20 116.67 123.51 1xnr s ASP 166 Ca 0.00 -1.07 -0.16 0.00 0.43 0.00 0.00 52.55 51.75 1xnr s ASP 166 Cb 0.00 -2.20 -0.07 0.00 -0.30 0.00 0.00 42.92 40.35 1xnr s ASP 166 CO 0.00 -0.63 1.25 1.55 -0.17 0.00 0.00 175.17 177.17 1xnr h PRO 167 N 8.76 -0.36 -0.78 4.34 0.13 -1.81 0.91 132.00 143.18 1xnr h PRO 167 Ca -0.28 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.05 1xnr h PRO 167 Cb 1.11 0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1xnr h PRO 167 CO 0.85 -0.24 -0.09 1.15 -0.23 0.00 0.00 178.00 179.44 1xnr h THR 168 N -0.37 0.26 0.41 1.56 2.02 -1.94 3.35 112.91 118.20 1xnr h THR 168 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xnr h THR 168 Cb 0.36 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1xnr h THR 168 CO -0.11 0.01 -0.20 0.50 0.37 0.00 0.00 175.52 176.09 1xnr h LYS 169 N 0.04 -0.53 -0.77 6.66 3.11 -1.85 -2.84 116.57 120.40 1xnr h LYS 169 Ca 0.41 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1xnr h LYS 169 Cb 0.69 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 1xnr h LYS 169 CO -0.75 -0.24 0.00 0.39 -2.81 0.00 0.00 179.45 176.04 1xnr n GLU 170 N -5.24 2.04 0.29 1.90 4.71 0.31 -4.44 120.64 120.21 1xnr n GLU 170 Ca -0.10 -0.90 0.12 0.00 -0.01 0.00 0.00 57.16 56.27 1xnr n GLU 170 Cb 0.28 -1.64 0.66 0.00 -1.01 0.00 0.00 31.44 29.74 1xnr n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xnr h ALA 171 N 2.71 1.31 0.00 0.62 0.00 0.64 0.22 119.26 124.77 1xnr h ALA 171 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xnr h ALA 171 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xnr h ALA 171 CO 0.12 -0.31 -0.42 0.82 0.00 0.00 0.00 179.25 179.46 1xnr h ILE 172 N 0.00 0.76 0.08 0.00 5.03 -1.82 -2.67 117.51 118.89 1xnr h ILE 172 Ca 0.00 -1.91 -0.00 0.00 -0.12 0.00 0.00 64.86 62.82 1xnr h ILE 172 Cb 0.68 2.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.72 1xnr h ILE 172 CO 0.00 0.41 -0.04 0.00 -0.68 0.00 0.00 178.15 177.84 1xnr h ALA 173 N 1.58 -0.11 -1.02 1.87 0.00 -0.92 -3.12 119.26 117.54 1xnr h ALA 173 Ca -0.00 -0.16 0.42 0.00 0.00 0.00 0.00 54.91 55.16 1xnr h ALA 173 Cb 1.22 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.88 1xnr h ALA 173 CO 0.05 -0.12 0.56 0.28 0.00 0.00 0.00 179.25 180.02 1xnr h VAL 174 N -0.99 0.01 0.75 0.00 2.07 -1.54 0.27 116.25 116.81 1xnr h VAL 174 Ca -0.01 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1xnr h VAL 174 Cb 0.36 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xnr h VAL 174 CO 0.02 0.00 -0.36 -0.09 0.02 0.00 0.00 177.57 177.16 1xnr h ARG 175 N 0.01 -0.97 -1.18 1.57 2.43 -1.51 -2.75 114.38 111.98 1xnr h ARG 175 Ca 0.85 0.07 0.34 0.00 -0.81 0.00 0.00 59.98 60.42 1xnr h ARG 175 Cb 2.26 0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 31.94 1xnr h ARG 175 CO -0.75 -0.65 0.78 0.93 -1.51 0.00 0.00 179.97 178.77 1xnr h GLU 176 N -1.18 0.21 0.00 0.20 5.08 -0.49 -1.54 114.58 116.86 1xnr h GLU 176 Ca -0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xnr h GLU 176 Cb 0.77 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1xnr h GLU 176 CO 0.17 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1xnr n ALA 177 N -2.56 -0.03 -0.26 3.43 0.00 -0.29 -2.66 120.51 118.14 1xnr n ALA 177 Ca 0.29 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.79 1xnr n ALA 177 Cb 1.14 0.09 0.13 0.00 0.00 0.00 0.00 19.45 20.81 1xnr n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xnr n ARG 178 N -0.82 -0.06 0.13 0.00 3.00 -0.66 0.29 116.66 118.54 1xnr n ARG 178 Ca 0.00 1.14 0.07 0.00 -0.01 0.00 0.00 57.85 59.05 1xnr n ARG 178 Cb 0.00 -1.73 0.38 0.00 0.00 0.00 0.00 32.46 31.11 1xnr n ARG 178 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1xnr n LYS 179 N -5.17 0.09 -0.93 5.56 4.81 -0.74 -0.67 118.16 121.11 1xnr n LYS 179 Ca 0.13 0.56 0.05 0.00 -0.87 0.00 0.00 58.31 58.18 1xnr n LYS 179 Cb 0.41 -1.95 0.13 0.00 0.02 0.00 0.00 35.03 33.64 1xnr n LYS 179 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xnr n LEU 180 N -2.00 1.94 -3.85 3.14 4.77 0.85 -4.99 117.00 116.85 1xnr n LEU 180 Ca -0.01 -3.03 -0.32 0.00 -0.03 0.00 0.00 56.01 52.62 1xnr n LEU 180 Cb 0.17 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1xnr n LEU 180 CO 0.06 0.99 -0.12 0.49 -1.33 0.00 0.00 177.39 177.48 1xnr n PHE 181 N -0.46 -1.00 -3.15 -1.77 3.01 0.15 -4.86 117.46 109.38 1xnr n PHE 181 Ca 0.13 0.52 -0.42 0.00 1.01 0.00 0.00 57.45 58.69 1xnr n PHE 181 Cb 0.87 -1.47 -0.07 0.00 -0.01 0.00 0.00 39.48 38.80 1xnr n PHE 181 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1xnr s ILE 182 N -2.75 4.91 0.27 4.37 1.01 -1.18 -4.98 121.20 122.84 1xnr s ILE 182 Ca 0.63 0.28 -0.27 0.00 0.00 0.00 0.00 60.65 61.29 1xnr s ILE 182 Cb -0.37 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 37.85 1xnr s ILE 182 CO 0.78 -0.41 0.64 -2.65 0.00 0.00 0.00 174.94 173.30 1xnr n PRO 183 N 6.03 0.48 -4.08 2.79 -0.02 -1.26 -4.38 135.00 134.56 1xnr n PRO 183 Ca -0.03 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.29 1xnr n PRO 183 Cb 0.48 -1.32 -0.16 0.00 -0.02 0.00 0.00 33.50 32.49 1xnr n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xnr s VAL 184 N -1.12 2.26 0.06 -1.45 1.01 -1.26 -2.13 120.40 117.77 1xnr s VAL 184 Ca 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1xnr s VAL 184 Cb -0.80 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1xnr s VAL 184 CO 0.58 0.40 0.19 -0.63 0.00 0.00 0.00 175.10 175.64 1xnr s ILE 185 N 1.28 5.28 -0.24 2.22 1.09 0.14 -2.03 121.20 128.93 1xnr s ILE 185 Ca 0.02 -0.43 -0.27 0.00 -1.10 0.00 0.00 60.65 58.87 1xnr s ILE 185 Cb -0.15 -3.57 0.13 0.00 -1.06 0.00 0.00 42.46 37.81 1xnr s ILE 185 CO -0.10 0.14 1.03 0.00 -0.10 0.00 0.00 174.94 175.92 1xnr s ALA 186 N -1.49 -1.97 -0.63 9.38 0.00 -0.93 -1.34 121.76 124.78 1xnr s ALA 186 Ca 0.34 1.77 -0.23 0.00 0.00 0.00 0.00 51.96 53.84 1xnr s ALA 186 Cb -0.13 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1xnr s ALA 186 CO 0.27 -0.26 0.96 -1.17 0.00 0.00 0.00 175.76 175.57 1xnr s LEU 187 N -0.22 4.25 -0.07 0.00 2.96 -0.53 0.28 118.68 125.35 1xnr s LEU 187 Ca 0.02 -0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 1xnr s LEU 187 Cb -0.03 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 1xnr s LEU 187 CO -0.04 -1.38 0.34 0.00 -1.32 0.00 0.00 176.35 173.95 1xnr s ALA 188 N 4.07 3.68 0.38 5.97 0.00 -0.17 -4.38 121.76 131.31 1xnr s ALA 188 Ca 0.25 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1xnr s ALA 188 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.68 1xnr s ALA 188 CO 0.13 0.37 0.50 -0.40 0.00 0.00 0.00 175.76 176.36 1xnr n ASP 189 N 2.44 1.44 0.00 0.00 5.75 -1.26 0.32 116.55 125.23 1xnr n ASP 189 Ca -0.14 -2.02 0.02 0.00 -0.01 0.00 0.00 54.79 52.64 1xnr n ASP 189 Cb 0.53 -0.26 0.09 0.00 -1.03 0.00 0.00 41.12 40.45 1xnr n ASP 189 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1xnr n THR 190 N -1.79 0.00 -3.02 2.12 5.66 -1.26 -3.90 114.28 112.09 1xnr n THR 190 Ca 0.10 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.87 1xnr n THR 190 Cb 0.39 -0.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.03 1xnr n THR 190 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1xnr n ASP 191 N -0.55 3.00 -3.76 1.09 5.75 -1.26 -2.94 116.55 117.87 1xnr n ASP 191 Ca 0.02 -3.40 -0.09 0.00 -0.01 0.00 0.00 54.79 51.31 1xnr n ASP 191 Cb 0.01 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.49 1xnr n ASP 191 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xnr s SER 192 N -3.06 -0.26 -0.58 -1.12 0.15 -1.25 -4.74 113.70 102.83 1xnr s SER 192 Ca 0.45 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 1xnr s SER 192 Cb 0.31 0.61 0.10 0.00 -1.71 0.00 0.00 66.02 65.33 1xnr s SER 192 CO -0.11 -1.11 0.68 -0.62 1.20 0.00 0.00 173.24 173.28 1xnr s ASP 193 N -2.89 6.18 0.22 5.45 -1.08 -1.26 -4.62 116.67 118.67 1xnr s ASP 193 Ca 0.10 -1.43 -0.06 0.00 -0.52 0.00 0.00 52.55 50.64 1xnr s ASP 193 Cb -0.02 -2.29 0.19 0.00 -1.46 0.00 0.00 42.92 39.34 1xnr s ASP 193 CO -0.01 -1.08 1.73 1.55 0.52 0.00 0.00 175.17 177.88 1xnr h PRO 194 N 9.15 1.03 0.00 4.34 0.13 -1.94 -2.04 132.00 142.68 1xnr h PRO 194 Ca -0.29 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1xnr h PRO 194 Cb 1.09 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1xnr h PRO 194 CO 1.09 0.94 0.01 -0.25 -0.23 0.00 0.00 178.00 179.55 1xnr n ASP 195 N -4.23 0.00 -0.00 1.44 9.92 -1.26 0.16 116.55 122.59 1xnr n ASP 195 Ca 0.04 0.03 0.09 0.00 -0.53 0.00 0.00 54.79 54.43 1xnr n ASP 195 Cb 0.27 -0.03 -0.11 0.00 -0.64 0.00 0.00 41.12 40.61 1xnr n ASP 195 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xnr n LEU 196 N -0.97 0.85 -4.35 0.64 -0.00 -0.77 -4.90 117.00 107.50 1xnr n LEU 196 Ca 0.00 -0.47 -0.33 0.00 -0.00 0.00 0.00 56.01 55.21 1xnr n LEU 196 Cb 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.28 1xnr n LEU 196 CO 0.00 0.21 -0.48 -0.69 -0.00 0.00 0.00 177.39 176.44 1xnr s VAL 197 N -2.82 2.80 0.00 1.96 1.01 0.43 -4.97 120.40 118.81 1xnr s VAL 197 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1xnr s VAL 197 Cb 0.14 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1xnr s VAL 197 CO 0.78 0.54 0.84 0.47 0.00 0.00 0.00 175.10 177.73 1xnr n ASP 198 N 3.32 0.00 -4.17 3.32 8.00 -1.02 -4.50 116.55 121.49 1xnr n ASP 198 Ca -0.18 0.86 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 1xnr n ASP 198 Cb 0.53 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.11 1xnr n ASP 198 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xnr s TYR 199 N -2.44 3.36 0.29 1.24 1.51 -0.86 -5.04 117.35 115.40 1xnr s TYR 199 Ca 0.00 -1.95 0.04 0.00 -1.01 0.00 0.00 57.07 54.14 1xnr s TYR 199 Cb 0.00 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 1xnr s TYR 199 CO 0.00 -0.84 0.44 0.96 -1.11 0.00 0.00 175.55 175.00 1xnr s ILE 200 N 1.24 5.03 -0.48 2.71 -5.25 -1.26 -2.19 121.20 121.01 1xnr s ILE 200 Ca -0.01 -0.81 0.03 0.00 -0.99 0.00 0.00 60.65 58.87 1xnr s ILE 200 Cb -0.21 -3.80 0.14 0.00 2.95 0.00 0.00 42.46 41.55 1xnr s ILE 200 CO -0.01 -0.38 0.28 -0.63 -1.79 0.00 0.00 174.94 172.40 1xnr s ILE 201 N -2.13 1.73 -0.87 8.37 1.01 0.14 -4.63 121.20 124.83 1xnr s ILE 201 Ca 0.38 -2.89 -0.23 0.00 0.00 0.00 0.00 60.65 57.91 1xnr s ILE 201 Cb -0.09 -2.20 -0.19 0.00 0.01 0.00 0.00 42.46 39.99 1xnr s ILE 201 CO 0.32 -0.91 2.13 -0.81 0.00 0.00 0.00 174.94 175.67 1xnr n PRO 202 N 3.25 0.25 0.00 2.79 -0.04 -1.25 -1.00 135.00 139.00 1xnr n PRO 202 Ca 0.10 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1xnr n PRO 202 Cb 0.35 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 1xnr n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xnr n GLY 203 N 6.20 2.11 2.82 0.55 0.00 0.15 -4.73 105.19 112.29 1xnr n GLY 203 Ca 0.42 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1xnr n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xnr s ASN 204 N 1.00 0.95 0.16 1.61 -0.87 -1.26 -4.55 114.94 111.97 1xnr s ASN 204 Ca 0.00 -0.10 0.18 0.00 -1.57 0.00 0.00 52.86 51.37 1xnr s ASN 204 Cb 0.00 0.69 0.80 0.00 -0.02 0.00 0.00 41.25 42.72 1xnr s ASN 204 CO 0.00 -0.32 1.56 -0.90 -2.57 0.00 0.00 177.10 174.87 1xnr n ASP 205 N 5.34 0.38 -4.16 -1.22 5.75 -1.26 -4.29 116.55 117.08 1xnr n ASP 205 Ca -0.04 0.61 -0.33 0.00 -0.01 0.00 0.00 54.79 55.01 1xnr n ASP 205 Cb 0.49 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.74 1xnr n ASP 205 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xnr s ASP 206 N -3.70 3.28 0.00 -1.12 2.15 -1.26 -4.84 116.67 111.18 1xnr s ASP 206 Ca 0.04 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.42 1xnr s ASP 206 Cb 0.08 -1.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.20 1xnr s ASP 206 CO 0.29 0.02 0.00 0.00 -0.17 0.00 0.00 175.17 175.31 1xnr n ALA 207 N 4.51 0.00 -0.33 3.66 0.00 -1.26 -4.89 120.51 122.19 1xnr n ALA 207 Ca -0.20 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.46 1xnr n ALA 207 Cb 0.50 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.45 1xnr n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xnr h ILE 208 N 0.00 0.51 -0.43 0.00 2.04 -1.94 0.21 117.51 117.90 1xnr h ILE 208 Ca 0.00 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1xnr h ILE 208 Cb 0.00 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.05 1xnr h ILE 208 CO 0.00 0.08 -0.37 0.03 0.00 0.00 0.00 178.15 177.88 1xnr h ARG 209 N 0.41 -0.27 0.24 2.37 2.47 -1.93 0.99 114.38 118.66 1xnr h ARG 209 Ca 0.61 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.34 1xnr h ARG 209 Cb 1.50 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 1xnr h ARG 209 CO -0.33 -0.18 -0.12 0.77 0.56 0.00 0.00 179.97 180.68 1xnr h SER 210 N -0.28 -0.28 -0.67 7.04 0.02 -1.00 -2.65 113.55 115.74 1xnr h SER 210 Ca 0.16 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1xnr h SER 210 Cb 0.56 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 1xnr h SER 210 CO -0.57 -0.10 -0.39 -0.38 -1.14 0.00 0.00 176.83 174.24 1xnr n ILE 211 N -3.43 -0.46 0.12 3.27 5.41 -0.21 -0.81 119.36 123.24 1xnr n ILE 211 Ca -0.04 1.63 -0.13 0.00 1.00 0.00 0.00 62.75 65.20 1xnr n ILE 211 Cb 0.13 -2.01 -0.08 0.00 -0.71 0.00 0.00 39.64 36.97 1xnr n ILE 211 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1xnr h GLN 212 N 0.00 -0.23 -0.75 0.38 -0.00 -0.93 -1.91 115.11 111.66 1xnr h GLN 212 Ca 0.11 0.02 0.14 0.00 -0.00 0.00 0.00 58.65 58.91 1xnr h GLN 212 Cb 0.28 0.05 -0.14 0.00 0.00 0.00 0.00 27.48 27.67 1xnr h GLN 212 CO -0.63 -0.08 -0.27 1.25 0.00 0.00 0.00 178.83 179.09 1xnr h LEU 213 N -0.32 -0.99 0.41 -2.39 6.46 -0.59 0.16 115.31 118.05 1xnr h LEU 213 Ca -0.02 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1xnr h LEU 213 Cb 0.25 0.56 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1xnr h LEU 213 CO 0.04 -0.28 -0.20 0.40 -0.62 0.00 0.00 178.44 177.78 1xnr h ILE 214 N -0.06 0.00 -0.80 4.05 1.08 -1.25 -2.70 117.51 117.83 1xnr h ILE 214 Ca 0.32 -0.55 0.19 0.00 -0.39 0.00 0.00 64.86 64.43 1xnr h ILE 214 Cb 0.57 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.20 1xnr h ILE 214 CO -0.80 0.00 0.22 -0.07 -0.69 0.00 0.00 178.15 176.81 1xnr h LEU 215 N -1.10 0.05 0.00 1.44 4.07 -1.19 -0.27 115.31 118.30 1xnr h LEU 215 Ca -0.06 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1xnr h LEU 215 Cb 0.42 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1xnr h LEU 215 CO 0.09 -0.06 0.00 -1.54 -1.08 0.00 0.00 178.44 175.85 1xnr n SER 216 N -5.16 0.00 -0.55 -0.43 3.41 0.54 -1.49 113.62 109.94 1xnr n SER 216 Ca 0.17 0.83 0.44 0.00 -0.26 0.00 0.00 58.87 60.05 1xnr n SER 216 Cb 0.54 -0.33 0.72 0.00 -0.26 0.00 0.00 64.21 64.88 1xnr n SER 216 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xnr n ARG 217 N -1.69 -0.02 -0.04 4.33 5.12 -1.00 0.35 116.66 123.70 1xnr n ARG 217 Ca 0.00 1.16 -0.05 0.00 -1.93 0.00 0.00 57.85 57.03 1xnr n ARG 217 Cb 0.00 -2.42 0.17 0.00 -1.16 0.00 0.00 32.46 29.04 1xnr n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xnr h ALA 218 N 1.33 1.06 0.06 7.54 0.00 -0.36 -2.24 119.26 126.65 1xnr h ALA 218 Ca 0.88 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 55.21 1xnr h ALA 218 Cb 3.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 20.75 1xnr h ALA 218 CO -0.28 0.57 -1.31 0.28 0.00 0.00 0.00 179.25 178.51 1xnr h VAL 219 N 0.57 1.39 0.00 0.00 2.07 0.71 -0.72 116.25 120.27 1xnr h VAL 219 Ca 0.09 -3.06 -0.07 0.00 0.82 0.00 0.00 66.70 64.48 1xnr h VAL 219 Cb 0.61 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 1xnr h VAL 219 CO 0.04 0.85 -0.08 0.47 0.02 0.00 0.00 177.57 178.87 1xnr n ASP 220 N -3.38 3.83 0.00 0.57 8.00 0.21 -1.25 116.55 124.53 1xnr n ASP 220 Ca -0.09 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1xnr n ASP 220 Cb 1.00 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1xnr n ASP 220 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xnr n LEU 221 N 2.17 0.00 -0.16 0.64 -0.00 -1.16 -4.65 117.00 113.83 1xnr n LEU 221 Ca 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.10 1xnr n LEU 221 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 1xnr n LEU 221 CO 0.08 -0.00 1.05 0.40 -0.00 0.00 0.00 177.39 178.92 1xnr h ILE 222 N 0.00 1.14 0.01 1.96 2.04 0.29 0.36 117.51 123.31 1xnr h ILE 222 Ca 0.00 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1xnr h ILE 222 Cb 0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1xnr h ILE 222 CO 0.00 0.14 -0.38 0.40 0.00 0.00 0.00 178.15 178.31 1xnr h ILE 223 N 0.64 1.55 -0.95 -0.67 2.04 -1.69 -3.35 117.51 115.07 1xnr h ILE 223 Ca 0.17 -2.32 0.28 0.00 1.00 0.00 0.00 64.86 64.00 1xnr h ILE 223 Cb -0.03 3.08 -0.14 0.00 -0.74 0.00 0.00 36.82 38.99 1xnr h ILE 223 CO -0.03 0.54 0.44 -0.61 0.00 0.00 0.00 178.15 178.49 1xnr h GLN 224 N -0.96 0.29 -0.52 2.37 4.15 -1.69 1.93 115.11 120.68 1xnr h GLN 224 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1xnr h GLN 224 Cb 1.12 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1xnr h GLN 224 CO -0.05 0.19 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1xnr n ALA 225 N -2.46 2.34 -2.26 3.38 0.00 0.13 -2.51 120.51 119.13 1xnr n ALA 225 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.73 1xnr n ALA 225 Cb 0.85 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.31 1xnr n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xnr n ARG 226 N -0.17 0.00 -2.66 0.00 1.74 0.65 -3.98 116.66 112.24 1xnr n ARG 226 Ca 0.00 -1.49 -0.05 0.00 -0.77 0.00 0.00 57.85 55.54 1xnr n ARG 226 Cb 0.13 -0.21 -0.04 0.00 -1.02 0.00 0.00 32.46 31.32 1xnr n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xnr n GLY 227 N 0.26 -4.70 2.81 -0.13 0.00 -1.04 -5.03 105.19 97.36 1xnr n GLY 227 Ca 0.02 1.53 -0.02 0.00 0.00 0.00 0.00 46.02 47.56 1xnr n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 228 N 1.68 0.74 3.67 -0.02 0.00 -1.26 -4.94 105.19 105.06 1xnr n GLY 228 Ca -0.35 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1xnr n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 229 N -2.18 3.84 -0.45 1.61 1.01 -1.26 -4.84 120.40 118.13 1xnr s VAL 229 Ca 0.17 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.29 1xnr s VAL 229 Cb -0.02 -3.71 0.49 0.00 0.00 0.00 0.00 36.38 33.14 1xnr s VAL 229 CO 0.04 -0.06 1.64 0.52 0.00 0.00 0.00 175.10 177.24 1xnr n VAL 230 N 5.13 3.02 -1.70 2.92 0.31 -1.26 -4.89 118.33 121.86 1xnr n VAL 230 Ca 0.15 -3.19 -0.29 0.00 -0.01 0.00 0.00 64.34 61.00 1xnr n VAL 230 Cb 0.44 -0.90 0.11 0.00 -0.91 0.00 0.00 33.84 32.58 1xnr n VAL 230 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xnr s GLU 231 N -3.58 1.67 -0.09 5.55 4.04 -1.26 -4.95 118.70 120.09 1xnr s GLU 231 Ca 0.55 0.27 -0.38 0.00 0.04 0.00 0.00 54.97 55.45 1xnr s GLU 231 Cb 0.45 -1.90 -0.16 0.00 0.02 0.00 0.00 34.13 32.54 1xnr s GLU 231 CO 0.02 -1.83 1.57 -2.30 -1.84 0.00 0.00 175.26 170.87 1xnr n PRO 232 N -3.51 1.25 -1.64 -4.83 -0.02 -1.26 -4.89 135.00 120.10 1xnr n PRO 232 Ca 0.07 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1xnr n PRO 232 Cb 0.59 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1xnr n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xnr n SER 233 N 4.09 1.59 0.00 2.55 2.88 -1.26 -4.91 113.62 118.56 1xnr n SER 233 Ca 0.22 1.01 0.02 0.00 -1.33 0.00 0.00 58.87 58.80 1xnr n SER 233 Cb 0.17 -1.41 0.38 0.00 -0.75 0.00 0.00 64.21 62.60 1xnr n SER 233 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1xnr h PRO 234 N 1.51 0.53 0.00 -1.46 0.13 -1.98 -3.42 132.00 127.31 1xnr h PRO 234 Ca -0.46 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1xnr h PRO 234 Cb 1.33 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xnr h PRO 234 CO 0.57 0.43 0.00 -1.13 -0.23 0.00 0.00 178.00 177.63 1xnr n SER 235 N -4.40 0.00 0.00 1.44 3.41 -1.26 -4.44 113.62 108.37 1xnr n SER 235 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1xnr n SER 235 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1xnr n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnr n TYR 236 N 0.00 0.00 0.44 7.33 -0.00 -1.26 -3.91 117.16 119.76 1xnr n TYR 236 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 1xnr n TYR 236 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 39.34 39.60 1xnr n TYR 236 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xnr n ALA 237 N 0.00 1.57 0.20 2.98 0.00 -1.26 -0.69 120.51 123.31 1xnr n ALA 237 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1xnr n ALA 237 Cb 0.00 -1.18 0.27 0.00 0.00 0.00 0.00 19.45 18.54 1xnr n ALA 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xnr h LEU 238 N 0.00 0.00 -1.71 0.00 5.85 -1.86 -3.17 115.31 114.41 1xnr h LEU 238 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1xnr h LEU 238 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xnr h LEU 238 CO 0.00 0.24 0.64 0.58 -0.34 0.00 0.00 178.44 179.56 1xnr h VAL 239 N 0.00 0.24 -0.02 1.05 2.07 -1.25 -3.52 116.25 114.82 1xnr h VAL 239 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xnr h VAL 239 Cb 0.99 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1xnr h VAL 239 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62