#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxd s VAL 2 N 0.00 4.91 0.00 1.12 0.11 -1.26 -0.69 120.40 124.58 2uxd s VAL 2 Ca 0.00 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2uxd s VAL 2 Cb 0.00 -4.41 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 2uxd s VAL 2 CO 0.00 -0.99 0.00 0.29 -3.33 0.00 0.00 175.10 171.07 2uxd n LYS 3 N 6.09 -0.73 -3.65 1.54 4.76 0.16 -2.44 118.16 123.89 2uxd n LYS 3 Ca -0.10 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.32 2uxd n LYS 3 Cb 0.43 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.57 2uxd n LYS 3 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2uxd s ILE 4 N -0.95 -0.92 0.15 -0.18 1.01 -1.18 -2.75 121.20 116.37 2uxd s ILE 4 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 2uxd s ILE 4 Cb 0.00 -0.93 0.06 0.00 0.01 0.00 0.00 42.46 41.61 2uxd s ILE 4 CO 0.00 0.02 0.95 0.00 0.00 0.00 0.00 174.94 175.90 2uxd s ARG 5 N 2.84 1.20 0.28 2.79 1.70 0.19 -1.90 118.95 126.04 2uxd s ARG 5 Ca -0.05 -0.65 -0.29 0.00 -0.47 0.00 0.00 55.73 54.27 2uxd s ARG 5 Cb -0.12 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 2uxd s ARG 5 CO -0.18 -0.55 1.02 -0.51 -1.08 0.00 0.00 175.30 174.01 2uxd s LEU 6 N -2.92 4.52 -0.18 -1.89 1.02 -1.26 -0.93 118.68 117.04 2uxd s LEU 6 Ca 0.12 2.10 0.01 0.00 0.02 0.00 0.00 54.13 56.37 2uxd s LEU 6 Cb -0.01 -3.71 0.03 0.00 0.02 0.00 0.00 46.19 42.51 2uxd s LEU 6 CO 0.02 -0.07 -0.15 0.00 0.02 0.00 0.00 176.35 176.18 2uxd s ALA 7 N -1.26 2.07 0.23 4.21 0.00 -1.06 -4.88 121.76 121.07 2uxd s ALA 7 Ca 0.45 -1.12 -0.32 0.00 0.00 0.00 0.00 51.96 50.97 2uxd s ALA 7 Cb -0.28 -1.18 -0.13 0.00 0.00 0.00 0.00 23.12 21.53 2uxd s ALA 7 CO 0.35 -0.53 1.44 0.54 0.00 0.00 0.00 175.76 177.56 2uxd n ARG 8 N 4.69 2.07 0.00 0.00 5.12 -1.26 -2.60 116.66 124.68 2uxd n ARG 8 Ca -0.17 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2uxd n ARG 8 Cb 0.49 -2.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.37 2uxd n ARG 8 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2uxd n PHE 9 N 2.15 0.00 0.00 -1.55 3.72 0.49 -4.87 117.46 117.40 2uxd n PHE 9 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 2uxd n PHE 9 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 2uxd n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uxd n GLY 10 N 0.20 -1.29 0.00 1.37 0.00 -0.44 -4.74 105.19 100.30 2uxd n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2uxd n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uxd n SER 11 N 0.00 0.00 -4.38 1.61 3.41 -0.19 -4.82 113.62 109.25 2uxd n SER 11 Ca 0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 2uxd n SER 11 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2uxd n SER 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2uxd n LYS 12 N -0.16 0.44 -0.76 4.33 4.81 -1.26 0.53 118.16 126.09 2uxd n LYS 12 Ca 0.00 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2uxd n LYS 12 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 2uxd n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2uxd n HIS 13 N 9.34 0.00 -2.82 5.64 8.25 -1.26 -4.83 115.22 129.54 2uxd n HIS 13 Ca 0.51 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.75 2uxd n HIS 13 Cb 0.10 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.52 2uxd n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uxd n ASN 14 N 0.00 3.22 -4.68 0.41 5.15 0.19 -5.08 115.26 114.47 2uxd n ASN 14 Ca 0.00 -3.38 -0.42 0.00 -0.60 0.00 0.00 54.58 50.18 2uxd n ASN 14 Cb 0.00 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.68 2uxd n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uxd s PRO 15 N -3.21 4.27 -0.08 1.20 0.04 -1.10 -1.02 135.00 135.11 2uxd s PRO 15 Ca 0.43 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2uxd s PRO 15 Cb 0.36 -3.66 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2uxd s PRO 15 CO -0.11 -0.62 -0.12 -1.01 0.04 0.00 0.00 177.00 175.18 2uxd s HIS 16 N 2.80 1.55 0.35 0.56 3.76 -1.26 -4.26 115.29 118.78 2uxd s HIS 16 Ca 0.63 -0.63 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 2uxd s HIS 16 Cb -0.29 -1.15 0.06 0.00 1.11 0.00 0.00 32.58 32.30 2uxd s HIS 16 CO 0.24 -0.35 0.48 0.66 -0.85 0.00 0.00 174.74 174.93 2uxd n TYR 17 N 4.05 -2.59 -3.59 1.40 4.02 -0.46 -0.38 117.16 119.62 2uxd n TYR 17 Ca -0.21 -1.26 -0.18 0.00 -0.01 0.00 0.00 57.90 56.24 2uxd n TYR 17 Cb 0.51 -0.33 -0.14 0.00 -0.02 0.00 0.00 39.34 39.36 2uxd n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2uxd s ARG 18 N -3.58 0.11 0.24 -0.72 0.52 -1.07 -3.15 118.95 111.29 2uxd s ARG 18 Ca 0.37 0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 55.64 2uxd s ARG 18 Cb -0.03 -0.78 -0.11 0.00 0.52 0.00 0.00 34.95 34.55 2uxd s ARG 18 CO 0.23 -0.48 1.63 0.42 0.02 0.00 0.00 175.30 177.12 2uxd s ILE 19 N 2.30 2.17 -0.03 1.52 1.09 0.42 -2.57 121.20 126.11 2uxd s ILE 19 Ca 0.04 0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.65 2uxd s ILE 19 Cb -0.14 -3.09 0.01 0.00 -1.06 0.00 0.00 42.46 38.19 2uxd s ILE 19 CO -0.09 0.02 0.17 -0.69 -0.10 0.00 0.00 174.94 174.25 2uxd s VAL 20 N 0.61 0.04 -0.34 2.92 1.01 -0.11 -1.56 120.40 122.97 2uxd s VAL 20 Ca 0.68 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2uxd s VAL 20 Cb -0.48 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2uxd s VAL 20 CO 0.39 -0.20 0.25 -0.69 0.00 0.00 0.00 175.10 174.85 2uxd s VAL 21 N -0.69 5.28 0.28 2.92 1.01 -0.77 0.52 120.40 128.95 2uxd s VAL 21 Ca -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2uxd s VAL 21 Cb -0.05 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2uxd s VAL 21 CO 0.01 -0.02 0.28 0.28 0.00 0.00 0.00 175.10 175.64 2uxd s THR 22 N 1.74 0.00 -0.07 3.92 -1.32 -1.11 -1.00 115.64 117.80 2uxd s THR 22 Ca 0.06 -1.89 -0.21 0.00 -1.21 0.00 0.00 61.69 58.45 2uxd s THR 22 Cb -0.17 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2uxd s THR 22 CO 0.11 0.00 0.59 -0.62 -2.21 0.00 0.00 174.62 172.48 2uxd s ASP 23 N -3.26 6.86 0.59 8.08 -1.08 -1.26 0.36 116.67 126.96 2uxd s ASP 23 Ca 0.37 1.03 0.31 0.00 -0.52 0.00 0.00 52.55 53.74 2uxd s ASP 23 Cb 0.03 -2.35 1.26 0.00 -1.46 0.00 0.00 42.92 40.40 2uxd s ASP 23 CO 0.20 -0.02 1.57 0.00 0.52 0.00 0.00 175.17 177.44 2uxd h ALA 24 N 6.50 2.84 0.00 3.66 0.00 -1.26 -1.48 119.26 129.52 2uxd h ALA 24 Ca -0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2uxd h ALA 24 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2uxd h ALA 24 CO 0.74 -1.47 -0.22 0.00 0.00 0.00 0.00 179.25 178.30 2uxd h ARG 25 N 0.00 0.00 -7.30 0.00 3.08 -1.92 -3.47 114.38 104.78 2uxd h ARG 25 Ca 0.46 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 60.00 2uxd h ARG 25 Cb 2.40 0.00 0.14 0.00 0.08 0.00 0.00 29.97 32.59 2uxd h ARG 25 CO -0.00 0.22 0.31 1.03 -1.07 0.00 0.00 179.97 180.45 2uxd s ARG 26 N -3.24 2.13 1.08 0.04 0.52 -0.56 -4.98 118.95 113.94 2uxd s ARG 26 Ca 0.04 1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 56.32 2uxd s ARG 26 Cb 0.07 -1.88 0.11 0.00 0.52 0.00 0.00 34.95 33.77 2uxd s ARG 26 CO 0.68 -1.75 0.25 1.63 0.02 0.00 0.00 175.30 176.13 2uxd n LYS 27 N -3.55 -1.31 0.08 3.54 5.02 -1.26 -4.84 118.16 115.83 2uxd n LYS 27 Ca 0.10 -0.36 -0.06 0.00 -2.02 0.00 0.00 58.31 55.97 2uxd n LYS 27 Cb 0.53 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 2uxd n LYS 27 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2uxd h ARG 28 N -2.00 0.02 -0.01 1.97 0.11 -1.96 -2.82 114.38 109.70 2uxd h ARG 28 Ca -0.52 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.54 2uxd h ARG 28 Cb 1.33 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2uxd h ARG 28 CO 0.38 0.90 -0.21 -3.47 0.10 0.00 0.00 179.97 177.68 2uxd n ASP 29 N -3.49 0.78 -3.33 0.08 4.64 -1.26 -4.56 116.55 109.41 2uxd n ASP 29 Ca -0.01 -0.72 -0.30 0.00 -1.38 0.00 0.00 54.79 52.38 2uxd n ASP 29 Cb 0.85 0.05 0.28 0.00 -1.04 0.00 0.00 41.12 41.26 2uxd n ASP 29 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2uxd n GLY 30 N 1.33 -3.59 3.73 0.27 0.00 -1.07 -4.94 105.19 100.92 2uxd n GLY 30 Ca 0.13 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2uxd n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uxd s LYS 31 N -5.21 4.13 0.14 1.61 2.20 -1.26 -4.92 119.74 116.42 2uxd s LYS 31 Ca 0.68 2.57 0.11 0.00 -0.36 0.00 0.00 55.97 58.97 2uxd s LYS 31 Cb -0.10 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2uxd s LYS 31 CO 0.56 -0.69 -0.25 1.52 -0.36 0.00 0.00 175.35 176.12 2uxd s TYR 32 N 0.73 2.21 0.37 4.03 1.13 -1.26 -4.85 117.35 119.71 2uxd s TYR 32 Ca 0.70 -0.39 0.26 0.00 -1.41 0.00 0.00 57.07 56.24 2uxd s TYR 32 Cb -0.48 -1.18 1.33 0.00 -1.10 0.00 0.00 41.96 40.52 2uxd s TYR 32 CO 0.38 0.34 2.02 0.82 -2.51 0.00 0.00 175.55 176.60 2uxd h ILE 33 N 3.79 0.59 0.00 -3.49 2.04 -1.44 -3.45 117.51 115.55 2uxd h ILE 33 Ca -0.49 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2uxd h ILE 33 Cb 1.18 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2uxd h ILE 33 CO 0.41 0.14 0.00 1.21 0.00 0.00 0.00 178.15 179.91 2uxd n GLU 34 N -3.62 0.00 -2.52 2.37 2.13 -1.16 -4.97 120.64 112.88 2uxd n GLU 34 Ca -0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.44 2uxd n GLU 34 Cb 0.28 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.95 2uxd n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2uxd s LYS 35 N 0.00 4.10 -0.35 5.31 2.20 -1.26 -1.85 119.74 127.89 2uxd s LYS 35 Ca 0.00 1.53 0.14 0.00 -0.36 0.00 0.00 55.97 57.28 2uxd s LYS 35 Cb 0.00 -2.50 0.43 0.00 -1.51 0.00 0.00 37.83 34.25 2uxd s LYS 35 CO 0.00 -0.20 1.20 0.44 -0.36 0.00 0.00 175.35 176.43 2uxd n ILE 36 N -0.17 0.49 0.00 5.43 -5.35 -0.60 -4.94 119.36 114.22 2uxd n ILE 36 Ca 0.05 -2.16 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 2uxd n ILE 36 Cb 0.50 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 2uxd n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uxd n GLY 37 N -0.50 2.49 3.16 3.28 0.00 -1.25 -4.53 105.19 107.84 2uxd n GLY 37 Ca 0.01 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2uxd n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2uxd s TYR 38 N -1.85 0.24 -0.06 1.61 -0.85 -0.67 -0.44 117.35 115.33 2uxd s TYR 38 Ca 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 2uxd s TYR 38 Cb 0.00 -0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.21 2uxd s TYR 38 CO 0.00 -0.46 -0.04 -0.47 -1.52 0.00 0.00 175.55 173.06 2uxd s TYR 39 N -3.55 0.79 -0.36 -3.49 5.04 -1.19 -2.15 117.35 112.45 2uxd s TYR 39 Ca 0.03 -0.24 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 2uxd s TYR 39 Cb 0.04 -0.75 0.05 0.00 0.35 0.00 0.00 41.96 41.65 2uxd s TYR 39 CO -0.09 -0.26 0.14 0.34 -1.34 0.00 0.00 175.55 174.35 2uxd s ASP 40 N 1.27 5.37 0.08 4.32 3.68 0.44 -1.35 116.67 130.49 2uxd s ASP 40 Ca -0.05 -1.29 -0.36 0.00 2.13 0.00 0.00 52.55 52.97 2uxd s ASP 40 Cb -0.14 -1.89 -0.18 0.00 -1.45 0.00 0.00 42.92 39.26 2uxd s ASP 40 CO -0.02 -0.39 1.57 -0.65 0.13 0.00 0.00 175.17 175.82 2uxd h PRO 41 N 8.24 -1.07 0.00 4.34 0.11 -1.84 -2.48 132.00 139.30 2uxd h PRO 41 Ca -0.22 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2uxd h PRO 41 Cb 1.08 0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2uxd h PRO 41 CO 0.64 -0.71 0.00 0.54 -0.21 0.00 0.00 178.00 178.26 2uxd n ARG 42 N -5.59 0.34 -3.92 1.05 1.74 -1.26 -4.84 116.66 104.17 2uxd n ARG 42 Ca -0.14 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.60 2uxd n ARG 42 Cb 0.48 -1.20 0.01 0.00 -1.02 0.00 0.00 32.46 30.73 2uxd n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2uxd n LYS 43 N -0.70 -0.56 0.00 5.56 4.01 -0.93 -4.76 118.16 120.78 2uxd n LYS 43 Ca 0.03 0.09 0.13 0.00 -0.51 0.00 0.00 58.31 58.06 2uxd n LYS 43 Cb 0.01 -1.79 0.72 0.00 -0.51 0.00 0.00 35.03 33.46 2uxd n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2uxd n THR 44 N -3.85 0.10 -3.95 -0.18 -2.24 -1.26 -4.86 114.28 98.04 2uxd n THR 44 Ca -0.13 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2uxd n THR 44 Cb 0.48 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 2uxd n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2uxd s THR 45 N -2.35 0.02 -1.23 4.28 -4.23 -1.26 -5.02 115.64 105.83 2uxd s THR 45 Ca 0.31 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.57 2uxd s THR 45 Cb 0.18 -2.05 0.08 0.00 1.34 0.00 0.00 72.50 72.06 2uxd s THR 45 CO 0.37 -0.07 1.11 -0.81 -0.54 0.00 0.00 174.62 174.68 2uxd n PRO 46 N -0.35 0.05 -3.49 3.99 -0.04 -1.26 -3.57 135.00 130.34 2uxd n PRO 46 Ca -0.04 0.30 -0.27 0.00 -0.04 0.00 0.00 63.50 63.46 2uxd n PRO 46 Cb 0.62 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2uxd n PRO 46 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2uxd n ASP 47 N -1.38 0.65 -0.85 3.54 4.64 -1.26 -4.92 116.55 116.97 2uxd n ASP 47 Ca 0.02 -2.67 0.12 0.00 -1.38 0.00 0.00 54.79 50.88 2uxd n ASP 47 Cb 0.06 -0.62 0.10 0.00 -1.04 0.00 0.00 41.12 39.62 2uxd n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2uxd n TRP 48 N 2.34 0.00 -3.54 -0.67 4.27 -1.23 -4.86 117.44 113.75 2uxd n TRP 48 Ca 0.26 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.77 2uxd n TRP 48 Cb 0.45 -0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 2uxd n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2uxd s LEU 49 N -2.10 -0.51 0.02 5.67 2.96 -1.26 0.17 118.68 123.63 2uxd s LEU 49 Ca 0.26 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.74 2uxd s LEU 49 Cb 0.20 1.03 -0.02 0.00 0.50 0.00 0.00 46.19 47.90 2uxd s LEU 49 CO 0.36 -0.27 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.25 2uxd s LYS 50 N 2.52 0.89 0.00 1.98 2.20 -0.91 -4.99 119.74 121.42 2uxd s LYS 50 Ca 0.05 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2uxd s LYS 50 Cb -0.14 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 2uxd s LYS 50 CO -0.13 0.22 0.00 0.28 -0.36 0.00 0.00 175.35 175.37 2uxd n VAL 51 N 2.27 0.00 -1.24 4.02 0.31 -1.26 -1.67 118.33 120.75 2uxd n VAL 51 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2uxd n VAL 51 Cb 0.55 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2uxd n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2uxd n ASP 52 N -2.30 -1.65 0.29 4.52 -0.08 -1.26 -3.91 116.55 112.16 2uxd n ASP 52 Ca 0.00 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.45 2uxd n ASP 52 Cb 0.25 -0.83 0.97 0.00 2.34 0.00 0.00 41.12 43.85 2uxd n ASP 52 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2uxd h VAL 53 N 0.00 0.36 0.03 5.18 -1.51 -1.95 -3.01 116.25 115.35 2uxd h VAL 53 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2uxd h VAL 53 Cb 0.00 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2uxd h VAL 53 CO 0.00 0.00 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.24 2uxd h GLU 54 N 0.00 -0.05 -0.19 5.19 4.57 -1.97 -3.06 114.58 119.07 2uxd h GLU 54 Ca 0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2uxd h GLU 54 Cb 0.15 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2uxd h GLU 54 CO -0.00 0.60 0.01 0.00 -1.18 0.00 0.00 179.01 178.44 2uxd h ARG 55 N -0.92 0.33 -0.95 1.92 2.47 -1.92 -2.12 114.38 113.19 2uxd h ARG 55 Ca -0.00 -0.10 0.24 0.00 -1.26 0.00 0.00 59.98 58.85 2uxd h ARG 55 Cb 0.67 -0.03 -0.18 0.00 -1.65 0.00 0.00 29.97 28.78 2uxd h ARG 55 CO 0.01 0.53 -0.04 0.00 0.56 0.00 0.00 179.97 181.03 2uxd h ALA 56 N 0.79 0.99 0.00 0.04 0.00 -1.67 2.17 119.26 121.58 2uxd h ALA 56 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2uxd h ALA 56 Cb 0.38 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2uxd h ALA 56 CO 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2uxd h ARG 57 N 0.02 0.00 -0.01 0.00 3.08 -1.32 -2.85 114.38 113.29 2uxd h ARG 57 Ca 0.54 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.57 2uxd h ARG 57 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2uxd h ARG 57 CO -0.90 0.00 -0.06 -0.92 -1.07 0.00 0.00 179.97 177.02 2uxd h TYR 58 N 0.00 0.09 -0.64 3.04 5.03 0.42 -3.09 116.97 121.83 2uxd h TYR 58 Ca 0.00 -0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.29 2uxd h TYR 58 Cb 0.41 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 2uxd h TYR 58 CO 0.00 0.71 0.42 -1.49 -1.32 0.00 0.00 178.16 176.48 2uxd h TRP 59 N -0.56 0.76 0.00 -3.82 4.06 -1.35 0.15 115.95 115.19 2uxd h TRP 59 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2uxd h TRP 59 Cb 0.72 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2uxd h TRP 59 CO 0.15 0.46 0.00 1.28 -3.56 0.00 0.00 178.44 176.77 2uxd n LEU 60 N -4.45 0.58 -0.87 -4.49 4.77 -1.09 -1.01 117.00 110.42 2uxd n LEU 60 Ca 0.07 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.88 2uxd n LEU 60 Cb 0.09 -0.70 0.24 0.00 -2.33 0.00 0.00 43.42 40.73 2uxd n LEU 60 CO 0.35 -0.74 0.71 -1.54 -1.33 0.00 0.00 177.39 174.84 2uxd n SER 61 N -2.20 2.68 0.00 -1.43 3.41 0.51 -4.20 113.62 112.39 2uxd n SER 61 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 2uxd n SER 61 Cb 0.12 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2uxd n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2uxd n VAL 62 N 1.05 0.00 0.00 -3.33 0.24 -0.18 -5.02 118.33 111.09 2uxd n VAL 62 Ca 0.17 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2uxd n VAL 62 Cb 0.52 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 2uxd n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uxd n GLY 63 N 0.13 1.01 3.68 7.63 0.00 -0.90 -5.08 105.19 111.66 2uxd n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2uxd n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxd s ALA 64 N -1.27 3.67 -0.29 4.61 0.00 -0.68 -4.56 121.76 123.22 2uxd s ALA 64 Ca 0.00 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 2uxd s ALA 64 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 2uxd s ALA 64 CO 0.00 -1.30 0.14 -1.14 0.00 0.00 0.00 175.76 173.46 2uxd s GLN 65 N 3.35 3.49 0.35 0.00 2.00 -1.02 -4.52 119.66 123.32 2uxd s GLN 65 Ca 0.79 -0.61 -0.26 0.00 -2.00 0.00 0.00 55.36 53.28 2uxd s GLN 65 Cb -0.41 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 29.78 2uxd s GLN 65 CO 0.35 -0.33 1.01 -1.25 -0.50 0.00 0.00 175.29 174.57 2uxd s PRO 66 N 1.63 4.41 0.87 1.67 0.04 -1.26 -3.10 135.00 139.27 2uxd s PRO 66 Ca 0.05 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 2uxd s PRO 66 Cb -0.16 -2.74 0.11 0.00 0.04 0.00 0.00 34.50 31.74 2uxd s PRO 66 CO 0.06 0.09 1.10 2.41 0.04 0.00 0.00 177.00 180.70 2uxd n THR 67 N 0.38 0.91 -0.16 1.26 -1.04 -0.80 -4.58 114.28 110.25 2uxd n THR 67 Ca 0.03 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 2uxd n THR 67 Cb 0.49 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 2uxd n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2uxd h ASP 68 N -1.42 0.61 -0.07 8.00 3.32 -1.95 1.43 116.42 126.34 2uxd h ASP 68 Ca -0.44 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.34 2uxd h ASP 68 Cb 1.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2uxd h ASP 68 CO 0.43 0.59 -0.34 0.74 -1.72 0.00 0.00 179.24 178.94 2uxd h THR 69 N 0.59 1.29 -0.35 0.35 2.02 -1.98 -1.79 112.91 113.04 2uxd h THR 69 Ca 0.15 -1.45 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 2uxd h THR 69 Cb 0.15 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2uxd h THR 69 CO -0.02 0.46 -0.26 0.00 0.37 0.00 0.00 175.52 176.07 2uxd h ALA 70 N 1.17 0.89 -0.07 6.16 0.00 -1.73 -2.49 119.26 123.18 2uxd h ALA 70 Ca 0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2uxd h ALA 70 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2uxd h ALA 70 CO 0.07 0.63 -0.32 -0.09 0.00 0.00 0.00 179.25 179.53 2uxd h ARG 71 N 0.62 0.14 0.12 0.00 2.43 0.23 -0.73 114.38 117.18 2uxd h ARG 71 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2uxd h ARG 71 Cb 0.76 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2uxd h ARG 71 CO 0.06 0.45 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.82 2uxd h ARG 72 N 0.12 -0.16 -0.25 0.20 2.43 -0.88 -0.94 114.38 114.90 2uxd h ARG 72 Ca 0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2uxd h ARG 72 Cb 0.64 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 2uxd h ARG 72 CO 0.05 -0.11 -0.50 -0.07 -1.51 0.00 0.00 179.97 177.83 2uxd h LEU 73 N -0.17 -1.61 -1.31 3.80 3.38 -1.54 0.19 115.31 118.05 2uxd h LEU 73 Ca -0.02 0.21 0.42 0.00 0.09 0.00 0.00 57.88 58.59 2uxd h LEU 73 Cb 0.13 0.65 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2uxd h LEU 73 CO 0.03 -0.43 0.78 0.25 0.09 0.00 0.00 178.44 179.16 2uxd h LEU 74 N -0.48 0.28 -0.05 1.67 5.85 -1.14 0.53 115.31 121.97 2uxd h LEU 74 Ca 0.07 0.16 -0.26 0.00 0.84 0.00 0.00 57.88 58.70 2uxd h LEU 74 Cb 0.64 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.83 2uxd h LEU 74 CO -0.49 -0.22 -1.03 -0.09 -0.34 0.00 0.00 178.44 176.27 2uxd h ARG 75 N 0.09 0.58 0.00 1.25 2.43 0.78 -3.01 114.38 116.51 2uxd h ARG 75 Ca 0.82 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2uxd h ARG 75 Cb 2.46 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 32.19 2uxd h ARG 75 CO -0.49 1.25 0.00 0.94 -1.51 0.00 0.00 179.97 180.17 2uxd n GLN 76 N -3.80 0.13 -1.77 0.20 7.27 0.19 -0.72 117.38 118.87 2uxd n GLN 76 Ca -0.10 0.63 -0.27 0.00 0.07 0.00 0.00 57.00 57.33 2uxd n GLN 76 Cb 0.88 -1.92 0.04 0.00 2.41 0.00 0.00 30.24 31.65 2uxd n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2uxd n ALA 77 N -1.75 5.46 -4.30 1.69 0.00 -1.08 -4.96 120.51 115.56 2uxd n ALA 77 Ca -0.01 -3.68 -0.38 0.00 0.00 0.00 0.00 53.44 49.37 2uxd n ALA 77 Cb 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2uxd n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uxd n GLY 78 N -0.79 -0.42 0.14 0.00 0.00 0.10 -4.73 105.19 99.49 2uxd n GLY 78 Ca 0.50 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.63 2uxd n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uxd h VAL 79 N -1.35 1.43 0.00 1.61 2.07 -1.63 -3.28 116.25 115.09 2uxd h VAL 79 Ca -0.60 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2uxd h VAL 79 Cb 1.39 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2uxd h VAL 79 CO 0.81 0.59 -1.48 0.49 0.02 0.00 0.00 177.57 178.00 2uxd n PHE 80 N -3.81 0.00 -1.75 1.57 3.01 -1.26 -4.96 117.46 110.27 2uxd n PHE 80 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 2uxd n PHE 80 Cb 0.61 -0.27 -0.01 0.00 -0.01 0.00 0.00 39.48 39.80 2uxd n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2uxd n ARG 81 N -1.88 2.57 -3.21 -1.08 0.63 -1.24 -4.97 116.66 107.48 2uxd n ARG 81 Ca -0.01 0.91 -0.24 0.00 -0.92 0.00 0.00 57.85 57.59 2uxd n ARG 81 Cb 0.41 -2.63 -0.06 0.00 0.45 0.00 0.00 32.46 30.63 2uxd n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uxd n GLN 82 N 1.17 1.48 -0.65 -0.14 10.64 -1.26 -4.97 117.38 123.65 2uxd n GLN 82 Ca 0.05 -3.77 -0.16 0.00 -1.83 0.00 0.00 57.00 51.28 2uxd n GLN 82 Cb 0.37 -1.68 -0.04 0.00 -0.86 0.00 0.00 30.24 28.03 2uxd n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2uxd n GLU 83 N 0.82 1.68 0.00 2.61 1.02 -1.26 -5.31 120.64 120.20 2uxd n GLU 83 Ca 0.25 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 2uxd n GLU 83 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 2uxd n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31