#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr s VAL 2 N 0.00 4.24 0.26 3.17 0.11 -1.26 -0.86 120.40 126.05 1xnr s VAL 2 Ca 0.00 2.06 0.03 0.00 -2.93 0.00 0.00 61.98 61.14 1xnr s VAL 2 Cb 0.00 -4.32 -0.05 0.00 -1.53 0.00 0.00 36.38 30.48 1xnr s VAL 2 CO 0.00 0.44 0.02 -0.54 -3.33 0.00 0.00 175.10 171.69 1xnr s LYS 3 N -0.77 1.42 -0.36 1.54 1.02 0.33 -1.52 119.74 121.40 1xnr s LYS 3 Ca 0.43 -1.74 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1xnr s LYS 3 Cb -0.25 -0.64 0.10 0.00 -0.52 0.00 0.00 37.83 36.52 1xnr s LYS 3 CO 0.31 -0.13 0.09 0.42 -0.92 0.00 0.00 175.35 175.12 1xnr s ILE 4 N -3.42 2.58 0.00 2.17 1.01 -1.16 -0.32 121.20 122.06 1xnr s ILE 4 Ca 0.31 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 58.71 1xnr s ILE 4 Cb 0.06 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1xnr s ILE 4 CO 0.11 -0.62 0.00 -2.11 0.00 0.00 0.00 174.94 172.32 1xnr n ARG 5 N 4.35 1.13 -4.83 2.79 1.85 0.75 -2.23 116.66 120.46 1xnr n ARG 5 Ca 0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.54 1xnr n ARG 5 Cb 0.42 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.69 1xnr n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xnr s LEU 6 N 0.00 2.69 -0.10 2.89 1.02 -1.26 0.17 118.68 124.10 1xnr s LEU 6 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.82 1xnr s LEU 6 Cb 0.00 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 1xnr s LEU 6 CO 0.00 0.22 0.02 0.00 0.02 0.00 0.00 176.35 176.61 1xnr s ALA 7 N 0.05 3.36 -0.41 4.21 0.00 -0.91 -4.86 121.76 123.19 1xnr s ALA 7 Ca -0.05 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 1xnr s ALA 7 Cb -0.14 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1xnr s ALA 7 CO 0.04 0.55 0.78 0.50 0.00 0.00 0.00 175.76 177.64 1xnr s ARG 8 N -0.77 3.57 0.00 0.00 3.52 -1.26 -1.46 118.95 122.54 1xnr s ARG 8 Ca 0.12 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.83 1xnr s ARG 8 Cb -0.12 -3.88 0.04 0.00 -1.56 0.00 0.00 34.95 29.43 1xnr s ARG 8 CO 0.02 -0.99 0.83 1.19 -0.81 0.00 0.00 175.30 175.54 1xnr n PHE 9 N 6.59 0.04 0.00 5.12 0.99 0.30 -4.90 117.46 125.60 1xnr n PHE 9 Ca 0.03 -0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 1xnr n PHE 9 Cb 0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.94 1xnr n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xnr n GLY 10 N -0.13 -1.53 3.31 1.37 0.00 -0.86 -4.72 105.19 102.62 1xnr n GLY 10 Ca 0.02 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 1xnr n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnr s SER 11 N -1.56 1.93 0.03 1.61 0.15 -0.16 -4.86 113.70 110.84 1xnr s SER 11 Ca 0.00 -1.13 -0.35 0.00 0.70 0.00 0.00 55.95 55.17 1xnr s SER 11 Cb 0.00 -0.02 -0.14 0.00 -1.71 0.00 0.00 66.02 64.15 1xnr s SER 11 CO 0.00 -0.42 1.67 1.17 1.20 0.00 0.00 173.24 176.86 1xnr n LYS 12 N -0.35 1.96 -1.00 5.44 4.81 -1.26 0.17 118.16 127.93 1xnr n LYS 12 Ca -0.07 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1xnr n LYS 12 Cb 0.62 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1xnr n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xnr n HIS 13 N 4.61 0.00 -2.80 5.64 8.25 -1.26 -4.85 115.22 124.81 1xnr n HIS 13 Ca 0.20 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.49 1xnr n HIS 13 Cb 0.27 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1xnr n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xnr n ASN 14 N -0.50 2.21 -4.68 0.41 5.15 0.45 -5.10 115.26 113.20 1xnr n ASN 14 Ca 0.00 -3.08 -0.45 0.00 -0.60 0.00 0.00 54.58 50.45 1xnr n ASN 14 Cb 0.25 -0.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.92 1xnr n ASN 14 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xnr n PRO 15 N -0.07 2.49 -3.75 1.20 -0.04 -1.21 -0.99 135.00 132.63 1xnr n PRO 15 Ca 0.21 0.91 -0.21 0.00 -0.04 0.00 0.00 63.50 64.37 1xnr n PRO 15 Cb 0.70 -2.76 -0.18 0.00 -0.04 0.00 0.00 33.50 31.23 1xnr n PRO 15 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xnr s HIS 16 N 2.67 0.32 0.58 0.54 3.76 -1.26 -4.31 115.29 117.59 1xnr s HIS 16 Ca 0.84 0.06 0.09 0.00 -0.15 0.00 0.00 55.06 55.90 1xnr s HIS 16 Cb -0.58 -0.58 0.09 0.00 1.11 0.00 0.00 32.58 32.61 1xnr s HIS 16 CO 0.41 -0.23 0.77 0.71 -0.85 0.00 0.00 174.74 175.55 1xnr s TYR 17 N 1.90 1.37 -0.16 1.40 1.51 -0.42 0.11 117.35 123.05 1xnr s TYR 17 Ca 0.02 -0.75 -0.05 0.00 -1.01 0.00 0.00 57.07 55.29 1xnr s TYR 17 Cb -0.12 -2.18 0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1xnr s TYR 17 CO -0.04 -1.13 0.08 1.03 -1.11 0.00 0.00 175.55 174.39 1xnr s ARG 18 N -4.65 0.08 0.06 -0.62 0.52 -0.54 -3.00 118.95 110.81 1xnr s ARG 18 Ca 0.60 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 1xnr s ARG 18 Cb -0.05 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 1xnr s ARG 18 CO 0.38 -0.64 1.87 0.42 0.02 0.00 0.00 175.30 177.34 1xnr s ILE 19 N 2.13 2.90 0.01 1.52 1.09 0.55 -2.14 121.20 127.25 1xnr s ILE 19 Ca 0.02 0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.71 1xnr s ILE 19 Cb -0.16 -3.08 -0.01 0.00 -1.06 0.00 0.00 42.46 38.15 1xnr s ILE 19 CO -0.08 -0.01 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.00 1xnr s VAL 20 N 3.68 0.39 -0.10 2.92 1.01 0.46 -1.57 120.40 127.18 1xnr s VAL 20 Ca 0.83 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1xnr s VAL 20 Cb -0.43 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1xnr s VAL 20 CO 0.38 -0.13 0.42 -0.69 0.00 0.00 0.00 175.10 175.09 1xnr s VAL 21 N -0.67 5.18 0.18 2.92 1.01 -0.16 -0.18 120.40 128.69 1xnr s VAL 21 Ca -0.04 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 1xnr s VAL 21 Cb -0.05 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xnr s VAL 21 CO -0.00 0.39 0.73 0.28 0.00 0.00 0.00 175.10 176.50 1xnr s THR 22 N 0.27 0.00 0.33 3.92 -1.32 0.57 -0.90 115.64 118.51 1xnr s THR 22 Ca 0.23 -0.47 -0.26 0.00 -1.21 0.00 0.00 61.69 59.98 1xnr s THR 22 Cb -0.15 -1.51 -0.09 0.00 -1.51 0.00 0.00 72.50 69.23 1xnr s THR 22 CO 0.09 0.00 1.01 -0.62 -2.21 0.00 0.00 174.62 172.90 1xnr s ASP 23 N -2.81 7.14 0.52 8.08 -1.08 -1.26 0.12 116.67 127.38 1xnr s ASP 23 Ca 0.07 2.01 0.17 0.00 -0.52 0.00 0.00 52.55 54.28 1xnr s ASP 23 Cb -0.03 -2.59 1.30 0.00 -1.46 0.00 0.00 42.92 40.13 1xnr s ASP 23 CO -0.03 -0.22 2.14 0.00 0.52 0.00 0.00 175.17 177.58 1xnr h ALA 24 N 3.15 2.03 0.00 3.66 0.00 -1.34 -2.68 119.26 124.08 1xnr h ALA 24 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xnr h ALA 24 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xnr h ALA 24 CO 0.65 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 180.38 1xnr n ARG 25 N -4.51 0.26 -1.47 0.00 1.74 -1.26 -4.87 116.66 106.55 1xnr n ARG 25 Ca -0.02 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.82 1xnr n ARG 25 Cb 0.13 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.14 1xnr n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xnr s ARG 26 N -2.67 2.61 1.00 5.56 6.06 -1.01 -5.01 118.95 125.48 1xnr s ARG 26 Ca 0.20 0.98 -0.12 0.00 -2.50 0.00 0.00 55.73 54.30 1xnr s ARG 26 Cb 0.16 -1.95 0.16 0.00 0.06 0.00 0.00 34.95 33.38 1xnr s ARG 26 CO 0.38 -1.34 0.90 1.63 -2.50 0.00 0.00 175.30 174.38 1xnr n LYS 27 N -3.29 -0.99 0.22 5.12 5.02 -1.26 -4.90 118.16 118.07 1xnr n LYS 27 Ca 0.08 -0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 1xnr n LYS 27 Cb 0.54 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 1xnr n LYS 27 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1xnr h ARG 28 N -2.05 -0.54 -0.71 1.97 2.43 -1.97 -2.96 114.38 110.57 1xnr h ARG 28 Ca -0.48 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1xnr h ARG 28 Cb 1.29 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1xnr h ARG 28 CO 0.41 -0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.27 1xnr n ASP 29 N -3.49 1.43 -2.83 -3.80 10.43 -1.26 -4.77 116.55 112.26 1xnr n ASP 29 Ca -0.07 -2.11 0.00 0.00 2.57 0.00 0.00 54.79 55.19 1xnr n ASP 29 Cb 0.22 -0.40 0.00 0.00 1.84 0.00 0.00 41.12 42.78 1xnr n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xnr n GLY 30 N 0.26 -1.52 3.66 0.44 0.00 -1.12 -4.96 105.19 101.95 1xnr n GLY 30 Ca 0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1xnr n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xnr s LYS 31 N -1.21 4.16 0.39 1.61 2.20 -1.26 -4.94 119.74 120.69 1xnr s LYS 31 Ca 0.00 1.96 0.08 0.00 -0.36 0.00 0.00 55.97 57.64 1xnr s LYS 31 Cb 0.00 -3.92 -0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1xnr s LYS 31 CO 0.00 -0.84 0.49 1.52 -0.36 0.00 0.00 175.35 176.16 1xnr s TYR 32 N 3.97 2.88 0.01 4.03 1.13 -1.26 -4.82 117.35 123.30 1xnr s TYR 32 Ca 0.67 -0.36 -0.01 0.00 -1.41 0.00 0.00 57.07 55.96 1xnr s TYR 32 Cb -0.28 -2.20 -0.27 0.00 -1.10 0.00 0.00 41.96 38.11 1xnr s TYR 32 CO 0.24 -0.22 0.89 0.82 -2.51 0.00 0.00 175.55 174.77 1xnr h ILE 33 N 0.81 1.19 -1.43 -3.49 2.04 -1.40 -3.48 117.51 111.75 1xnr h ILE 33 Ca -0.42 -2.86 0.10 0.00 1.00 0.00 0.00 64.86 62.69 1xnr h ILE 33 Cb 1.27 2.74 -0.28 0.00 -0.74 0.00 0.00 36.82 39.81 1xnr h ILE 33 CO 0.50 0.81 0.60 -0.70 0.00 0.00 0.00 178.15 179.35 1xnr s GLU 34 N -2.63 0.38 -0.04 2.37 2.12 -1.15 -5.01 118.70 114.74 1xnr s GLU 34 Ca -0.07 0.40 -0.16 0.00 0.36 0.00 0.00 54.97 55.49 1xnr s GLU 34 Cb 0.07 0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.59 1xnr s GLU 34 CO 0.85 -0.06 0.44 0.21 -0.54 0.00 0.00 175.26 176.16 1xnr s LYS 35 N 0.01 4.10 -0.01 4.30 2.20 -1.26 -0.98 119.74 128.10 1xnr s LYS 35 Ca 0.04 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1xnr s LYS 35 Cb -0.04 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1xnr s LYS 35 CO -0.08 0.49 0.79 0.44 -0.36 0.00 0.00 175.35 176.63 1xnr n ILE 36 N 2.50 0.53 0.00 5.43 -5.35 -0.61 -4.96 119.36 116.91 1xnr n ILE 36 Ca -0.11 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1xnr n ILE 36 Cb 0.52 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1xnr n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xnr n GLY 37 N -0.31 0.61 3.31 3.28 0.00 -1.15 0.22 105.19 111.15 1xnr n GLY 37 Ca 0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1xnr n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xnr s TYR 38 N -2.00 1.52 -0.27 1.61 -0.85 -0.92 -0.33 117.35 116.11 1xnr s TYR 38 Ca 0.00 -1.30 -0.11 0.00 -0.52 0.00 0.00 57.07 55.14 1xnr s TYR 38 Cb 0.00 -0.84 0.10 0.00 0.38 0.00 0.00 41.96 41.61 1xnr s TYR 38 CO 0.00 -0.46 0.61 -0.47 -1.52 0.00 0.00 175.55 173.70 1xnr s TYR 39 N -3.73 -1.13 -0.53 -3.49 5.04 -1.16 -2.86 117.35 109.49 1xnr s TYR 39 Ca 0.37 2.08 -0.08 0.00 -2.44 0.00 0.00 57.07 57.00 1xnr s TYR 39 Cb 0.06 0.64 0.14 0.00 0.35 0.00 0.00 41.96 43.15 1xnr s TYR 39 CO 0.15 -0.58 0.39 0.34 -1.34 0.00 0.00 175.55 174.52 1xnr s ASP 40 N 2.40 5.68 0.56 4.32 3.68 0.46 -1.30 116.67 132.46 1xnr s ASP 40 Ca -0.07 -2.19 0.35 0.00 2.13 0.00 0.00 52.55 52.77 1xnr s ASP 40 Cb -0.10 -1.98 1.50 0.00 -1.45 0.00 0.00 42.92 40.89 1xnr s ASP 40 CO -0.18 -0.60 1.79 1.55 0.13 0.00 0.00 175.17 177.86 1xnr h PRO 41 N 8.06 0.00 -0.20 4.34 0.13 -1.85 0.21 132.00 142.69 1xnr h PRO 41 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1xnr h PRO 41 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xnr h PRO 41 CO 0.80 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.11 1xnr n ARG 42 N -4.04 2.12 -4.31 0.86 1.74 -1.26 -4.95 116.66 106.81 1xnr n ARG 42 Ca 0.22 -1.67 -0.35 0.00 -0.77 0.00 0.00 57.85 55.28 1xnr n ARG 42 Cb 1.16 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 31.08 1xnr n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xnr n LYS 43 N 0.92 -1.89 0.05 5.56 4.01 0.74 -4.82 118.16 122.73 1xnr n LYS 43 Ca 0.17 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 1xnr n LYS 43 Cb 0.49 -4.53 0.31 0.00 -0.51 0.00 0.00 35.03 30.78 1xnr n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1xnr h THR 44 N -1.43 1.21 -2.82 -0.18 1.35 -1.93 -3.44 112.91 105.68 1xnr h THR 44 Ca -0.62 -0.92 -0.57 0.00 -0.55 0.00 0.00 66.41 63.76 1xnr h THR 44 Cb 1.39 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.94 1xnr h THR 44 CO 0.78 0.29 -0.43 0.28 -0.25 0.00 0.00 175.52 176.19 1xnr s THR 45 N -4.74 5.30 -1.40 6.82 -1.32 -1.26 -4.97 115.64 114.07 1xnr s THR 45 Ca -0.06 -0.42 0.07 0.00 -1.21 0.00 0.00 61.69 60.06 1xnr s THR 45 Cb 0.15 -3.69 0.11 0.00 -1.51 0.00 0.00 72.50 67.56 1xnr s THR 45 CO 0.76 -0.02 1.08 -0.81 -2.21 0.00 0.00 174.62 173.42 1xnr n PRO 46 N -0.21 0.09 -3.56 7.08 -0.04 -1.26 -3.33 135.00 133.77 1xnr n PRO 46 Ca -0.05 0.23 -0.28 0.00 -0.04 0.00 0.00 63.50 63.36 1xnr n PRO 46 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1xnr n PRO 46 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xnr s ASP 47 N -2.60 2.80 0.00 3.54 3.68 -1.26 -4.96 116.67 117.87 1xnr s ASP 47 Ca 0.06 -2.89 0.20 0.00 2.13 0.00 0.00 52.55 52.05 1xnr s ASP 47 Cb 0.04 -0.75 0.37 0.00 -1.45 0.00 0.00 42.92 41.14 1xnr s ASP 47 CO 0.10 -0.21 1.32 -2.67 0.13 0.00 0.00 175.17 173.85 1xnr n TRP 48 N 3.14 0.45 -3.51 -5.34 4.27 -1.21 -4.88 117.44 110.35 1xnr n TRP 48 Ca 0.19 -0.26 -0.05 0.00 -3.89 0.00 0.00 57.50 53.50 1xnr n TRP 48 Cb 0.40 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.28 1xnr n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1xnr s LEU 49 N -1.36 -0.88 0.14 5.67 2.96 -1.26 -0.40 118.68 123.55 1xnr s LEU 49 Ca 0.34 0.94 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 1xnr s LEU 49 Cb 0.20 1.65 -0.04 0.00 0.50 0.00 0.00 46.19 48.50 1xnr s LEU 49 CO 0.28 -0.25 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.17 1xnr s LYS 50 N 2.70 1.08 -0.26 1.98 2.36 -1.13 -5.00 119.74 121.47 1xnr s LYS 50 Ca 0.04 -1.31 -0.11 0.00 -2.55 0.00 0.00 55.97 52.05 1xnr s LYS 50 Cb -0.13 -0.95 0.10 0.00 -1.05 0.00 0.00 37.83 35.80 1xnr s LYS 50 CO -0.16 0.18 0.60 0.08 1.55 0.00 0.00 175.35 177.59 1xnr s VAL 51 N -2.30 -0.56 -0.71 4.02 1.01 -1.26 -2.17 120.40 118.43 1xnr s VAL 51 Ca 0.11 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1xnr s VAL 51 Cb -0.04 -0.90 -0.17 0.00 0.00 0.00 0.00 36.38 35.27 1xnr s VAL 51 CO 0.03 0.02 1.90 -0.67 0.00 0.00 0.00 175.10 176.38 1xnr n ASP 52 N 5.01 2.52 -0.55 3.32 -0.08 0.13 -4.66 116.55 122.24 1xnr n ASP 52 Ca -0.15 -2.63 0.44 0.00 -1.51 0.00 0.00 54.79 50.94 1xnr n ASP 52 Cb 0.52 -1.05 0.73 0.00 2.34 0.00 0.00 41.12 43.66 1xnr n ASP 52 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1xnr h VAL 53 N 4.44 0.05 0.08 5.18 3.04 -1.92 0.75 116.25 127.87 1xnr h VAL 53 Ca 0.41 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 66.09 1xnr h VAL 53 Cb 0.63 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1xnr h VAL 53 CO 1.93 0.00 -0.04 -0.08 -1.01 0.00 0.00 177.57 178.38 1xnr h GLU 54 N 0.02 -0.10 -0.37 4.17 4.57 -1.98 -2.83 114.58 118.07 1xnr h GLU 54 Ca 0.88 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 59.05 1xnr h GLU 54 Cb 3.09 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 31.68 1xnr h GLU 54 CO -0.28 0.12 0.19 0.00 -1.18 0.00 0.00 179.01 177.86 1xnr h ARG 55 N -0.30 0.53 -0.20 1.92 2.47 0.06 -2.82 114.38 116.04 1xnr h ARG 55 Ca -0.01 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1xnr h ARG 55 Cb 0.26 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1xnr h ARG 55 CO 0.02 0.45 -0.18 0.00 0.56 0.00 0.00 179.97 180.82 1xnr h ALA 56 N 1.05 -0.34 -0.90 0.04 0.00 -1.16 0.89 119.26 118.84 1xnr h ALA 56 Ca 0.13 0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.37 1xnr h ALA 56 Cb 0.09 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 18.67 1xnr h ALA 56 CO -0.02 -0.44 0.28 0.54 0.00 0.00 0.00 179.25 179.61 1xnr n ARG 57 N -3.61 -0.06 0.16 0.00 5.12 -1.07 -0.94 116.66 116.26 1xnr n ARG 57 Ca -0.00 1.28 -0.07 0.00 -1.93 0.00 0.00 57.85 57.13 1xnr n ARG 57 Cb 0.10 -2.18 -0.04 0.00 -1.16 0.00 0.00 32.46 29.18 1xnr n ARG 57 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1xnr h TYR 58 N 0.00 -0.48 -0.84 -1.55 5.03 0.10 0.26 116.97 119.50 1xnr h TYR 58 Ca 0.67 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 62.14 1xnr h TYR 58 Cb 1.62 0.17 -0.10 0.00 1.55 0.00 0.00 36.73 39.96 1xnr h TYR 58 CO -0.21 -0.27 0.38 -1.49 -1.32 0.00 0.00 178.16 175.25 1xnr h TRP 59 N -0.45 0.65 -0.64 -3.82 4.06 -0.12 1.19 115.95 116.83 1xnr h TRP 59 Ca -0.04 0.04 0.03 0.00 2.06 0.00 0.00 58.89 60.98 1xnr h TRP 59 Cb 0.36 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 1xnr h TRP 59 CO 0.04 0.07 0.39 -0.07 -3.56 0.00 0.00 178.44 175.31 1xnr h LEU 60 N 0.50 0.62 -0.37 -4.49 3.38 -1.15 0.18 115.31 113.99 1xnr h LEU 60 Ca 0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1xnr h LEU 60 Cb 0.78 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xnr h LEU 60 CO -0.43 0.43 0.27 -1.54 0.09 0.00 0.00 178.44 177.26 1xnr n SER 61 N -4.72 0.14 -1.12 -0.43 3.41 0.41 -1.92 113.62 109.38 1xnr n SER 61 Ca 0.06 0.40 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 1xnr n SER 61 Cb 0.09 -0.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1xnr n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xnr n VAL 62 N -1.62 0.43 0.00 -3.33 0.24 0.57 -5.02 118.33 109.60 1xnr n VAL 62 Ca -0.00 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1xnr n VAL 62 Cb 0.28 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 1xnr n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xnr n GLY 63 N 0.07 3.05 2.45 7.63 0.00 -0.81 -5.05 105.19 112.53 1xnr n GLY 63 Ca 0.07 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 1xnr n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 64 N 0.00 -0.70 -3.63 4.61 0.00 -0.77 -4.82 120.51 115.19 1xnr n ALA 64 Ca 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 1xnr n ALA 64 Cb 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 1xnr n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1xnr s GLN 65 N 2.41 2.41 0.49 0.00 2.00 -0.57 -4.45 119.66 121.94 1xnr s GLN 65 Ca 0.72 -1.30 -0.22 0.00 -2.00 0.00 0.00 55.36 52.56 1xnr s GLN 65 Cb -1.01 -3.22 -0.07 0.00 0.80 0.00 0.00 33.01 29.52 1xnr s GLN 65 CO 0.53 -0.65 1.20 -1.25 -0.50 0.00 0.00 175.29 174.62 1xnr s PRO 66 N 1.25 3.57 1.15 1.67 0.04 -1.26 -2.97 135.00 138.46 1xnr s PRO 66 Ca -0.04 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1xnr s PRO 66 Cb -0.20 -2.33 0.26 0.00 0.04 0.00 0.00 34.50 32.27 1xnr s PRO 66 CO -0.01 -0.73 1.06 0.99 0.04 0.00 0.00 177.00 178.35 1xnr s THR 67 N -1.51 1.81 0.02 1.26 2.01 -0.95 -4.77 115.64 113.50 1xnr s THR 67 Ca 0.66 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 1xnr s THR 67 Cb -0.31 -2.33 -0.16 0.00 0.01 0.00 0.00 72.50 69.71 1xnr s THR 67 CO 0.37 0.00 1.22 0.44 -0.69 0.00 0.00 174.62 175.96 1xnr h ASP 68 N -2.46 -0.71 -0.97 3.53 3.32 -1.97 -2.06 116.42 115.10 1xnr h ASP 68 Ca -0.53 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.60 1xnr h ASP 68 Cb 1.33 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 1xnr h ASP 68 CO 0.47 -0.36 0.61 0.74 -1.72 0.00 0.00 179.24 178.98 1xnr h THR 69 N -1.10 0.95 -0.61 0.35 2.02 -1.97 -0.77 112.91 111.78 1xnr h THR 69 Ca -0.09 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.82 1xnr h THR 69 Cb 0.69 -0.13 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 1xnr h THR 69 CO 0.14 0.18 -0.54 0.00 0.37 0.00 0.00 175.52 175.68 1xnr h ALA 70 N 1.51 -0.61 -0.32 6.16 0.00 -1.79 -1.15 119.26 123.05 1xnr h ALA 70 Ca 0.47 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.51 1xnr h ALA 70 Cb 0.40 1.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1xnr h ALA 70 CO -0.24 -0.98 -0.29 0.00 0.00 0.00 0.00 179.25 177.74 1xnr h ARG 71 N -0.25 -0.25 0.00 0.00 3.08 -0.42 0.18 114.38 116.72 1xnr h ARG 71 Ca 0.12 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xnr h ARG 71 Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1xnr h ARG 71 CO -0.71 -0.17 0.00 0.54 -1.07 0.00 0.00 179.97 178.56 1xnr n ARG 72 N -5.40 0.00 -0.21 0.04 1.74 -0.49 0.25 116.66 112.59 1xnr n ARG 72 Ca 0.00 0.79 -0.06 0.00 -0.77 0.00 0.00 57.85 57.82 1xnr n ARG 72 Cb 0.32 -1.35 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1xnr n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xnr h LEU 73 N 0.00 -1.26 -0.46 0.55 3.38 -1.28 0.36 115.31 116.60 1xnr h LEU 73 Ca 0.00 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1xnr h LEU 73 Cb 0.00 0.61 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1xnr h LEU 73 CO 0.00 -0.31 0.12 -0.07 0.09 0.00 0.00 178.44 178.27 1xnr h LEU 74 N -0.17 0.07 0.41 1.67 3.38 0.38 -1.88 115.31 119.16 1xnr h LEU 74 Ca 0.22 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1xnr h LEU 74 Cb 0.56 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xnr h LEU 74 CO -0.69 0.07 -0.25 -0.09 0.09 0.00 0.00 178.44 177.57 1xnr h ARG 75 N 0.26 -0.60 -1.11 1.13 2.43 0.56 -1.66 114.38 115.39 1xnr h ARG 75 Ca 0.22 0.04 0.32 0.00 -0.81 0.00 0.00 59.98 59.76 1xnr h ARG 75 Cb 0.27 0.14 -0.12 0.00 -0.42 0.00 0.00 29.97 29.84 1xnr h ARG 75 CO -0.27 -0.40 0.70 1.96 -1.51 0.00 0.00 179.97 180.44 1xnr h GLN 76 N -0.63 0.29 -0.12 0.20 4.20 0.10 3.52 115.11 122.67 1xnr h GLN 76 Ca -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xnr h GLN 76 Cb 0.51 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1xnr h GLN 76 CO 0.05 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 1xnr n ALA 77 N -2.44 2.51 -3.56 3.87 0.00 -0.75 -4.90 120.51 115.23 1xnr n ALA 77 Ca 0.30 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1xnr n ALA 77 Cb 1.05 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 19.52 1xnr n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnr n GLY 78 N 0.79 -0.49 0.41 0.00 0.00 1.17 -4.94 105.19 102.12 1xnr n GLY 78 Ca 0.08 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 1xnr n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xnr h VAL 79 N -2.48 0.00 -3.38 1.61 2.07 -1.41 -3.35 116.25 109.32 1xnr h VAL 79 Ca -0.58 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.36 1xnr h VAL 79 Cb 1.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 1xnr h VAL 79 CO 0.55 0.00 0.17 -0.36 0.02 0.00 0.00 177.57 177.95 1xnr s PHE 80 N -5.25 3.41 -0.73 1.57 0.40 -1.26 -4.90 117.98 111.22 1xnr s PHE 80 Ca -0.15 1.03 -0.02 0.00 -0.60 0.00 0.00 56.93 57.19 1xnr s PHE 80 Cb 0.02 -2.84 0.18 0.00 0.51 0.00 0.00 43.02 40.89 1xnr s PHE 80 CO 0.46 -0.15 0.57 0.50 0.70 0.00 0.00 175.22 177.29 1xnr s ARG 81 N 1.81 2.83 0.00 0.44 6.06 -1.26 -4.93 118.95 123.90 1xnr s ARG 81 Ca 0.32 -2.84 -0.01 0.00 -2.50 0.00 0.00 55.73 50.69 1xnr s ARG 81 Cb -0.16 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 31.00 1xnr s ARG 81 CO 0.12 -1.21 0.98 0.00 -2.50 0.00 0.00 175.30 172.69 1xnr n GLN 82 N 2.99 0.37 0.00 5.12 0.00 -1.26 -5.22 117.38 119.38 1xnr n GLN 82 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 57.00 56.97 1xnr n GLN 82 Cb 0.37 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1xnr n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45