#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv s SER 2 N 0.00 5.72 -0.29 1.61 1.04 -1.26 -5.10 113.70 115.41 1ucv s SER 2 Ca 0.00 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 1ucv s SER 2 Cb 0.00 -1.54 0.05 0.00 0.10 0.00 0.00 66.02 64.63 1ucv s SER 2 CO 0.00 0.01 -0.01 -0.44 0.98 0.00 0.00 173.24 173.78 1ucv s SER 3 N -3.48 4.82 -0.12 7.02 0.01 -1.26 -4.99 113.70 115.69 1ucv s SER 3 Ca 0.32 -1.25 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 1ucv s SER 3 Cb -0.09 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 1ucv s SER 3 CO 0.25 -0.24 -0.14 1.23 0.41 0.00 0.00 173.24 174.75 1ucv h GLY 4 N 7.98 0.00 -6.02 3.44 0.00 -2.06 -3.47 103.07 102.94 1ucv h GLY 4 Ca -0.22 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.46 1ucv h GLY 4 CO 0.53 0.00 -0.72 -0.45 0.00 0.00 0.00 176.54 175.89 1ucv s SER 5 N -5.44 4.32 -0.35 0.19 0.15 -1.26 -5.09 113.70 106.23 1ucv s SER 5 Ca -0.12 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1ucv s SER 5 Cb 0.02 -1.70 -0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1ucv s SER 5 CO 0.17 0.12 0.22 -0.55 1.20 0.00 0.00 173.24 174.40 1ucv s SER 6 N 0.67 5.89 0.00 5.45 0.15 -1.26 -4.85 113.70 119.74 1ucv s SER 6 Ca -0.04 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1ucv s SER 6 Cb -0.15 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1ucv s SER 6 CO 0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1ucv n GLY 7 N 5.07 1.97 3.38 9.45 0.00 -1.26 -5.17 105.19 118.63 1ucv n GLY 7 Ca -0.13 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1ucv n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ucv n LEU 8 N 0.00 0.00 -4.78 0.99 -0.00 -1.26 -5.13 117.00 106.82 1ucv n LEU 8 Ca 0.00 -2.62 -0.31 0.00 -0.00 0.00 0.00 56.01 53.08 1ucv n LEU 8 Cb 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 43.38 1ucv n LEU 8 CO 0.00 -0.53 -0.26 0.28 -0.00 0.00 0.00 177.39 176.88 1ucv s THR 9 N -2.48 4.61 0.62 1.47 -1.32 -1.26 -4.22 115.64 113.05 1ucv s THR 9 Ca 0.23 -0.64 0.23 0.00 -1.21 0.00 0.00 61.69 60.29 1ucv s THR 9 Cb -0.02 -3.18 0.33 0.00 -1.51 0.00 0.00 72.50 68.12 1ucv s THR 9 CO 0.15 0.20 1.27 0.58 -2.21 0.00 0.00 174.62 174.61 1ucv h VAL 10 N 2.77 0.01 0.01 5.08 2.07 -1.84 0.68 116.25 125.03 1ucv h VAL 10 Ca -0.47 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1ucv h VAL 10 Cb 1.17 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ucv h VAL 10 CO 0.65 0.00 -0.19 1.23 0.02 0.00 0.00 177.57 179.28 1ucv h GLY 11 N 0.00 0.12 0.22 2.17 0.00 -1.90 -2.69 103.07 100.98 1ucv h GLY 11 Ca 0.41 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1ucv h GLY 11 CO -0.00 0.21 -0.43 -0.55 0.00 0.00 0.00 176.54 175.76 1ucv h ASP 12 N -0.68 -1.28 0.71 0.19 5.19 -0.01 0.35 116.42 120.89 1ucv h ASP 12 Ca -0.03 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1ucv h ASP 12 Cb 1.03 0.49 -0.00 0.00 0.18 0.00 0.00 39.33 41.02 1ucv h ASP 12 CO 0.04 -0.49 -0.44 -0.25 -3.12 0.00 0.00 179.24 174.98 1ucv h TRP 13 N -0.64 -1.19 -0.83 4.55 7.01 -1.67 -2.78 115.95 120.40 1ucv h TRP 13 Ca 0.03 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.22 1ucv h TRP 13 Cb 0.68 0.42 -0.13 0.00 -2.10 0.00 0.00 29.16 28.03 1ucv h TRP 13 CO -0.39 -0.66 0.22 -0.07 -2.79 0.00 0.00 178.44 174.75 1ucv h LEU 14 N -1.08 0.01 -0.78 0.65 3.38 -1.38 0.16 115.31 116.29 1ucv h LEU 14 Ca -0.10 0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.22 1ucv h LEU 14 Cb 0.87 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1ucv h LEU 14 CO 0.09 -0.11 0.24 -0.78 0.09 0.00 0.00 178.44 177.98 1ucv h ASP 15 N 0.24 0.12 -0.69 -0.43 1.82 -0.03 0.25 116.42 117.71 1ucv h ASP 15 Ca 0.50 0.14 0.13 0.00 -0.39 0.00 0.00 57.03 57.42 1ucv h ASP 15 Cb 0.96 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 41.04 1ucv h ASP 15 CO -0.60 -0.01 0.21 -1.28 -1.61 0.00 0.00 179.24 175.95 1ucv h SER 16 N 0.33 0.12 -0.34 2.28 0.87 -0.46 0.42 113.55 116.78 1ucv h SER 16 Ca 0.45 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1ucv h SER 16 Cb 0.77 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1ucv h SER 16 CO -0.50 0.05 0.00 2.30 -0.53 0.00 0.00 176.83 178.15 1ucv n ILE 17 N -5.08 0.69 -3.20 2.23 -5.35 -0.00 -4.89 119.36 103.76 1ucv n ILE 17 Ca 0.12 -0.53 -0.23 0.00 -0.27 0.00 0.00 62.75 61.84 1ucv n ILE 17 Cb 0.38 0.08 0.05 0.00 -1.74 0.00 0.00 39.64 38.41 1ucv n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ucv n ARG 18 N 0.48 -5.92 0.00 6.28 5.12 0.15 -4.87 116.66 117.91 1ucv n ARG 18 Ca 0.12 0.89 0.01 0.00 -1.93 0.00 0.00 57.85 56.94 1ucv n ARG 18 Cb 0.40 -5.82 0.00 0.00 -1.16 0.00 0.00 32.46 25.88 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1ucv n MET 19 N -4.36 0.52 0.32 5.56 2.81 0.67 -4.67 117.12 117.98 1ucv n MET 19 Ca -0.08 -0.47 0.12 0.00 -1.81 0.00 0.00 57.70 55.46 1ucv n MET 19 Cb 0.60 -0.94 0.64 0.00 -0.71 0.00 0.00 33.22 32.81 1ucv n MET 19 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 20 N 0.25 0.00 2.00 3.03 0.00 -1.76 0.21 103.07 106.80 1ucv h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ucv h GLY 20 CO 0.00 0.00 -0.05 0.07 0.00 0.00 0.00 176.54 176.56 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.91 -0.16 114.38 117.22 1ucv h ARG 21 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ucv h ARG 21 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1ucv h ARG 21 CO 0.00 0.05 -0.55 0.66 0.10 0.00 0.00 179.97 180.23 1ucv n TYR 22 N -4.00 0.05 -0.34 4.08 4.01 0.74 -4.41 117.16 117.29 1ucv n TYR 22 Ca -0.03 0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1ucv n TYR 22 Cb 0.13 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 1ucv n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1ucv n ARG 23 N -1.56 -0.36 -0.35 -0.72 0.63 -0.07 0.18 116.66 114.41 1ucv n ARG 23 Ca 0.05 1.24 0.30 0.00 -0.92 0.00 0.00 57.85 58.51 1ucv n ARG 23 Cb 0.35 -1.82 0.56 0.00 0.45 0.00 0.00 32.46 32.00 1ucv n ARG 23 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1ucv h ASP 24 N 0.00 0.38 0.81 6.15 1.82 -1.77 0.36 116.42 124.17 1ucv h ASP 24 Ca 0.13 0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.95 1ucv h ASP 24 Cb 0.33 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1ucv h ASP 24 CO -0.76 -0.28 -0.45 0.45 -1.61 0.00 0.00 179.24 176.58 1ucv h HIS 25 N 0.14 -1.20 -0.75 0.28 3.86 0.16 -2.54 115.15 115.10 1ucv h HIS 25 Ca 0.80 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 60.16 1ucv h HIS 25 Cb 2.09 0.41 -0.13 0.00 1.06 0.00 0.00 27.41 30.84 1ucv h HIS 25 CO -0.01 -0.70 -0.03 0.74 0.86 0.00 0.00 177.93 178.79 1ucv h PHE 26 N -1.17 -0.12 -0.79 2.45 -1.00 -0.76 0.58 116.94 116.14 1ucv h PHE 26 Ca -0.11 0.06 0.16 0.00 2.81 0.00 0.00 57.97 60.88 1ucv h PHE 26 Cb 0.92 0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.60 1ucv h PHE 26 CO -0.05 -0.26 0.52 0.00 -1.61 0.00 0.00 178.31 176.92 1ucv h ALA 27 N 1.72 2.10 -0.15 2.45 0.00 -0.50 0.33 119.26 125.20 1ucv h ALA 27 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 1ucv h ALA 27 Cb 0.70 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ucv h ALA 27 CO -0.69 -0.32 -0.76 0.00 0.00 0.00 0.00 179.25 177.48 1ucv h ALA 28 N 1.64 0.35 0.00 0.00 0.00 0.56 -3.00 119.26 118.80 1ucv h ALA 28 Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ucv h ALA 28 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ucv h ALA 28 CO -0.13 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1ucv n GLY 29 N 0.67 -0.68 0.47 0.00 0.00 -0.28 -4.79 105.19 100.59 1ucv n GLY 29 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ucv n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucv n GLY 30 N 0.32 0.86 2.97 -0.02 0.00 -0.94 -5.06 105.19 103.31 1ucv n GLY 30 Ca 0.13 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1ucv n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucv s TYR 31 N -2.00 3.26 -0.26 1.61 2.02 0.10 -4.90 117.35 117.18 1ucv s TYR 31 Ca 0.00 -2.62 0.07 0.00 -0.37 0.00 0.00 57.07 54.15 1ucv s TYR 31 Cb 0.00 -2.50 -0.08 0.00 -0.40 0.00 0.00 41.96 38.98 1ucv s TYR 31 CO 0.00 -0.92 0.26 0.45 -1.57 0.00 0.00 175.55 173.77 1ucv n SER 32 N 4.40 0.81 -4.57 2.29 2.88 -1.26 -0.97 113.62 117.20 1ucv n SER 32 Ca -0.00 -0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 56.72 1ucv n SER 32 Cb 0.42 1.05 -0.11 0.00 -0.75 0.00 0.00 64.21 64.82 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ucv s SER 33 N -1.81 3.74 -0.02 -3.46 0.01 -1.26 -3.59 113.70 107.32 1ucv s SER 33 Ca 0.02 -1.28 -0.22 0.00 1.31 0.00 0.00 55.95 55.78 1ucv s SER 33 Cb 0.05 -0.36 -0.25 0.00 0.21 0.00 0.00 66.02 65.66 1ucv s SER 33 CO 0.27 -0.33 1.03 -0.07 0.41 0.00 0.00 173.24 174.55 1ucv h LEU 34 N 1.92 0.43 -0.87 2.44 -0.00 -1.92 -2.97 115.31 114.34 1ucv h LEU 34 Ca -0.43 -0.82 0.22 0.00 -0.00 0.00 0.00 57.88 56.86 1ucv h LEU 34 Cb 1.24 -0.13 -0.15 0.00 -0.00 0.00 0.00 40.66 41.62 1ucv h LEU 34 CO 0.75 1.20 0.08 1.23 -0.00 0.00 0.00 178.44 181.70 1ucv h GLY 35 N -0.28 1.13 2.00 0.83 0.00 -1.97 0.60 103.07 105.37 1ucv h GLY 35 Ca -0.08 0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1ucv h GLY 35 CO 0.11 -0.38 -0.78 0.00 0.00 0.00 0.00 176.54 175.48 1ucv h MET 36 N 0.10 0.00 -0.03 4.80 -0.00 -1.99 -3.15 114.93 114.66 1ucv h MET 36 Ca 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 60.11 1ucv h MET 36 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.59 1ucv h MET 36 CO -0.75 0.78 -0.46 0.28 -0.00 0.00 0.00 176.91 176.76 1ucv h VAL 37 N 0.00 1.33 0.00 -0.10 2.07 0.18 -2.63 116.25 117.10 1ucv h VAL 37 Ca -0.01 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1ucv h VAL 37 Cb 1.39 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1ucv h VAL 37 CO 0.10 0.46 -0.12 -0.07 0.02 0.00 0.00 177.57 177.96 1ucv h LEU 38 N 0.06 0.00 -2.69 2.57 4.07 -0.48 -1.95 115.31 116.89 1ucv h LEU 38 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ucv h LEU 38 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1ucv h LEU 38 CO 0.06 0.12 0.00 -2.11 -1.08 0.00 0.00 178.44 175.43 1ucv n ARG 39 N -3.38 3.36 -3.31 1.13 1.85 -0.99 -4.84 116.66 110.48 1ucv n ARG 39 Ca -0.01 -2.40 -0.20 0.00 -1.00 0.00 0.00 57.85 54.24 1ucv n ARG 39 Cb 0.30 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ucv s MET 40 N -1.85 3.10 0.21 2.89 -1.94 -0.74 -5.10 119.30 115.87 1ucv s MET 40 Ca 0.43 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 1ucv s MET 40 Cb 0.28 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 1ucv s MET 40 CO 0.20 -0.05 0.38 -0.80 -0.01 0.00 0.00 175.02 174.74 1ucv s ASN 41 N -4.19 -0.04 0.24 3.03 0.01 -1.26 -4.94 114.94 107.80 1ucv s ASN 41 Ca 0.46 -0.90 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1ucv s ASN 41 Cb -0.10 0.51 0.57 0.00 0.41 0.00 0.00 41.25 42.64 1ucv s ASN 41 CO 0.33 -1.01 1.26 0.00 -1.51 0.00 0.00 177.10 176.17 1ucv n ALA 42 N -0.30 0.37 -0.18 0.60 0.00 -1.26 0.13 120.51 119.88 1ucv n ALA 42 Ca -0.04 0.86 -0.01 0.00 0.00 0.00 0.00 53.44 54.25 1ucv n ALA 42 Cb 0.63 -0.61 0.07 0.00 0.00 0.00 0.00 19.45 19.54 1ucv n ALA 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucv h GLN 43 N 0.00 0.10 0.20 0.00 5.75 -1.99 0.34 115.11 119.51 1ucv h GLN 43 Ca 0.47 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.95 1ucv h GLN 43 Cb 0.93 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1ucv h GLN 43 CO -0.77 0.07 -0.10 -0.44 -2.65 0.00 0.00 178.83 174.95 1ucv h ASP 44 N 0.11 -0.23 -0.51 -0.69 3.32 0.75 -3.27 116.42 115.90 1ucv h ASP 44 Ca 0.28 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1ucv h ASP 44 Cb 0.43 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.94 1ucv h ASP 44 CO -0.47 0.31 -0.35 0.58 -1.72 0.00 0.00 179.24 177.59 1ucv h VAL 45 N -0.95 0.18 -0.90 -1.35 2.07 -0.68 0.10 116.25 114.72 1ucv h VAL 45 Ca -0.03 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.73 1ucv h VAL 45 Cb 0.47 0.18 -0.16 0.00 -1.52 0.00 0.00 31.29 30.26 1ucv h VAL 45 CO 0.04 0.00 0.06 -0.09 0.02 0.00 0.00 177.57 177.60 1ucv h ARG 46 N -0.21 0.07 -0.68 1.57 1.12 -0.44 1.09 114.38 116.89 1ucv h ARG 46 Ca 0.20 -0.00 0.12 0.00 -1.11 0.00 0.00 59.98 59.18 1ucv h ARG 46 Cb 0.55 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.45 1ucv h ARG 46 CO -0.62 0.05 0.46 0.00 -3.11 0.00 0.00 179.97 176.74 1ucv h ALA 47 N 1.87 2.01 0.00 2.80 0.00 -1.02 0.11 119.26 125.02 1ucv h ALA 47 Ca 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 1ucv h ALA 47 Cb 1.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ucv h ALA 47 CO -0.80 -0.17 -0.02 -0.07 0.00 0.00 0.00 179.25 178.20 1ucv h LEU 48 N 0.46 0.00 0.00 0.00 3.38 0.14 -3.46 115.31 115.83 1ucv h LEU 48 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ucv h LEU 48 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ucv h LEU 48 CO -0.10 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1ucv n GLY 49 N -1.28 0.86 3.57 0.83 0.00 0.37 -4.84 105.19 104.71 1ucv n GLY 49 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1ucv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ucv s ILE 50 N -1.08 3.51 -0.00 -0.61 1.09 -1.26 -4.72 121.20 118.13 1ucv s ILE 50 Ca 0.00 0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 1ucv s ILE 50 Cb 0.00 -3.96 -0.00 0.00 -1.06 0.00 0.00 42.46 37.44 1ucv s ILE 50 CO 0.00 -0.80 0.00 0.35 -0.10 0.00 0.00 174.94 174.40 1ucv n THR 51 N 7.20 0.00 -1.53 2.92 -2.24 -1.26 -4.12 114.28 115.25 1ucv n THR 51 Ca 0.19 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.45 1ucv n THR 51 Cb 0.50 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 1ucv n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ucv n LEU 52 N -1.37 1.31 -0.15 3.22 4.32 -1.26 -4.68 117.00 118.39 1ucv n LEU 52 Ca -0.00 -0.17 -0.01 0.00 -0.02 0.00 0.00 56.01 55.81 1ucv n LEU 52 Cb 0.00 -1.26 0.01 0.00 -1.62 0.00 0.00 43.42 40.55 1ucv n LEU 52 CO 0.00 -1.16 0.22 0.23 -1.22 0.00 0.00 177.39 175.46 1ucv n MET 53 N 8.75 -0.10 0.09 3.23 2.81 -1.26 0.55 117.12 131.20 1ucv n MET 53 Ca 0.51 0.58 -0.12 0.00 -1.81 0.00 0.00 57.70 56.86 1ucv n MET 53 Cb 0.29 -0.86 -0.07 0.00 -0.71 0.00 0.00 33.22 31.87 1ucv n MET 53 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 54 N 0.00 -1.18 0.95 3.03 0.00 -2.00 -1.38 103.07 102.49 1ucv h GLY 54 Ca 0.12 0.61 -0.01 0.00 0.00 0.00 0.00 47.33 48.05 1ucv h GLY 54 CO -0.37 -0.33 -0.14 0.45 0.00 0.00 0.00 176.54 176.16 1ucv h HIS 55 N -0.56 -0.35 -1.60 5.60 -0.00 -0.26 -2.31 115.15 115.67 1ucv h HIS 55 Ca -0.01 -0.01 0.47 0.00 -0.00 0.00 0.00 60.37 60.82 1ucv h HIS 55 Cb 0.55 0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 28.01 1ucv h HIS 55 CO -0.39 -0.18 1.14 1.96 -0.00 0.00 0.00 177.93 180.46 1ucv h GLN 56 N -0.44 0.02 0.03 2.45 4.20 -0.05 1.82 115.11 123.14 1ucv h GLN 56 Ca -0.04 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 1ucv h GLN 56 Cb 0.33 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1ucv h GLN 56 CO 0.06 0.01 -1.04 0.87 -0.67 0.00 0.00 178.83 178.07 1ucv h LYS 57 N 0.02 0.08 0.36 1.46 1.57 -0.69 -2.94 116.57 116.42 1ucv h LYS 57 Ca 0.78 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.42 1ucv h LYS 57 Cb 3.05 0.04 0.00 0.00 0.08 0.00 0.00 32.23 35.41 1ucv h LYS 57 CO -0.05 1.04 -0.17 0.87 -0.57 0.00 0.00 179.45 180.57 1ucv h LYS 58 N 0.02 -0.46 0.75 3.15 1.79 0.30 0.26 116.57 122.39 1ucv h LYS 58 Ca -0.04 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1ucv h LYS 58 Cb 1.78 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1ucv h LYS 58 CO 0.15 -0.15 -0.43 0.82 -1.08 0.00 0.00 179.45 178.76 1ucv h ILE 59 N -0.83 0.00 0.85 1.86 2.04 -1.49 -1.66 117.51 118.27 1ucv h ILE 59 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1ucv h ILE 59 Cb 0.53 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1ucv h ILE 59 CO 0.08 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.70 1ucv h LEU 60 N -1.10 -1.13 -1.21 1.44 -0.00 -1.64 -0.87 115.31 110.81 1ucv h LEU 60 Ca -0.10 0.05 0.42 0.00 -0.00 0.00 0.00 57.88 58.25 1ucv h LEU 60 Cb 0.87 0.31 -0.15 0.00 -0.00 0.00 0.00 40.66 41.69 1ucv h LEU 60 CO 0.12 -0.74 0.71 1.23 -0.00 0.00 0.00 178.44 179.76 1ucv h GLY 61 N -1.21 1.75 2.00 0.83 0.00 -0.53 1.78 103.07 107.70 1ucv h GLY 61 Ca -0.12 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1ucv h GLY 61 CO 0.16 -0.56 -0.78 1.76 0.00 0.00 0.00 176.54 177.11 1ucv h SER 62 N 0.08 0.00 0.01 0.19 0.02 -0.93 -3.26 113.55 109.66 1ucv h SER 62 Ca 0.83 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.78 1ucv h SER 62 Cb 2.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.91 1ucv h SER 62 CO -0.57 0.78 -0.00 0.40 -1.14 0.00 0.00 176.83 176.30 1ucv h ILE 63 N 0.00 1.55 -0.93 3.27 2.04 0.40 0.61 117.51 124.45 1ucv h ILE 63 Ca -0.01 -1.70 0.21 0.00 1.00 0.00 0.00 64.86 64.36 1ucv h ILE 63 Cb 1.55 2.69 -0.12 0.00 -0.74 0.00 0.00 36.82 40.20 1ucv h ILE 63 CO 0.10 0.44 0.48 0.06 0.00 0.00 0.00 178.15 179.23 1ucv h GLN 64 N -0.74 0.52 0.14 2.37 3.07 -0.82 -0.47 115.11 119.19 1ucv h GLN 64 Ca -0.00 -0.03 -0.31 0.00 0.09 0.00 0.00 58.65 58.40 1ucv h GLN 64 Cb 0.72 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.17 1ucv h GLN 64 CO 0.00 0.35 -1.47 0.00 0.09 0.00 0.00 178.83 177.80 1ucv h THR 65 N 0.54 1.24 -0.96 1.86 1.03 -1.62 -2.58 112.91 112.42 1ucv h THR 65 Ca 0.56 -2.83 0.12 0.00 -0.01 0.00 0.00 66.41 64.26 1ucv h THR 65 Cb 1.00 2.85 -0.08 0.00 -1.07 0.00 0.00 68.15 70.85 1ucv h THR 65 CO -0.46 0.84 0.61 0.24 -0.01 0.00 0.00 175.52 176.74 1ucv h MET 66 N 0.08 0.89 0.12 0.00 2.86 0.63 -1.87 114.93 117.64 1ucv h MET 66 Ca -0.23 -0.05 -0.31 0.00 -2.06 0.00 0.00 59.70 57.05 1ucv h MET 66 Cb 2.03 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 1ucv h MET 66 CO 0.19 0.59 -1.57 0.07 1.06 0.00 0.00 176.91 177.25 1ucv h ARG 67 N 0.91 0.25 -0.88 1.72 0.11 -1.26 -3.06 114.38 112.18 1ucv h ARG 67 Ca 0.47 -0.43 0.14 0.00 0.10 0.00 0.00 59.98 60.27 1ucv h ARG 67 Cb 0.52 0.16 -0.09 0.00 1.11 0.00 0.00 29.97 31.67 1ucv h ARG 67 CO -0.23 1.11 0.48 0.00 0.10 0.00 0.00 179.97 181.43 1ucv h ALA 68 N 0.47 1.34 0.18 0.08 0.00 -0.96 -1.91 119.26 118.47 1ucv h ALA 68 Ca -0.26 0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 1ucv h ALA 68 Cb 2.02 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.79 1ucv h ALA 68 CO 0.16 -0.03 -1.35 -0.56 0.00 0.00 0.00 179.25 177.46 1ucv h GLN 69 N 0.70 0.58 0.00 0.00 3.07 -1.49 -3.46 115.11 114.50 1ucv h GLN 69 Ca 0.48 -0.86 -0.42 0.00 0.09 0.00 0.00 58.65 57.93 1ucv h GLN 69 Cb 0.64 0.30 0.18 0.00 0.08 0.00 0.00 27.48 28.68 1ucv h GLN 69 CO -0.34 1.40 0.37 1.28 0.09 0.00 0.00 178.83 181.63 1ucv n LEU 70 N -3.75 0.00 -0.00 0.06 4.77 -0.72 -5.04 117.00 112.32 1ucv n LEU 70 Ca -0.15 -1.39 -0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1ucv n LEU 70 Cb 1.04 -0.99 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ucv n LEU 70 CO 0.59 -1.53 -0.52 0.35 -1.33 0.00 0.00 177.39 174.95 1ucv n THR 71 N -3.94 0.04 -3.52 -5.08 -2.24 -1.26 -4.87 114.28 93.40 1ucv n THR 71 Ca 0.16 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.71 1ucv n THR 71 Cb 0.57 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1ucv n THR 71 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ucv n SER 72 N -2.43 -5.18 -4.47 3.42 7.64 -1.26 -4.95 113.62 106.39 1ucv n SER 72 Ca -0.01 -0.54 -0.43 0.00 1.01 0.00 0.00 58.87 58.89 1ucv n SER 72 Cb 0.51 -4.92 -0.06 0.00 -1.01 0.00 0.00 64.21 58.73 1ucv n SER 72 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ucv s THR 73 N -3.32 4.85 -0.21 0.44 2.01 -1.26 -4.90 115.64 113.25 1ucv s THR 73 Ca 0.42 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1ucv s THR 73 Cb -0.19 -4.28 -0.19 0.00 0.01 0.00 0.00 72.50 67.86 1ucv s THR 73 CO 0.71 -0.76 0.19 1.67 -0.69 0.00 0.00 174.62 175.74 1ucv n GLN 74 N 6.23 0.56 0.00 4.92 7.27 -1.26 -5.04 117.38 130.06 1ucv n GLN 74 Ca -0.05 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1ucv n GLN 74 Cb 0.46 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1ucv n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ucv n GLY 75 N 1.43 3.86 3.81 1.69 0.00 -1.26 -5.11 105.19 109.61 1ucv n GLY 75 Ca -0.32 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1ucv n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ucv s SER 76 N 0.00 7.03 0.00 1.61 0.01 -1.26 -5.07 113.70 116.01 1ucv s SER 76 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1ucv s SER 76 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ucv s SER 76 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1ucv n GLY 77 N -0.31 4.67 2.15 3.44 0.00 -1.26 -5.16 105.19 108.72 1ucv n GLY 77 Ca 0.05 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1ucv n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ucv n PRO 78 N 0.00 -1.69 -3.34 1.61 -0.02 -1.26 -5.04 135.00 125.25 1ucv n PRO 78 Ca 0.00 -0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 60.73 1ucv n PRO 78 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.30 1ucv n PRO 78 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ucv s SER 79 N -2.08 0.80 -0.27 2.55 0.01 -1.26 -5.12 113.70 108.33 1ucv s SER 79 Ca 0.29 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1ucv s SER 79 Cb -0.05 0.90 0.06 0.00 0.21 0.00 0.00 66.02 67.14 1ucv s SER 79 CO 0.24 -0.36 -0.09 -0.55 0.41 0.00 0.00 173.24 172.90 1ucv s SER 80 N 2.48 4.51 0.00 2.44 0.15 -1.26 -5.38 113.70 116.64 1ucv s SER 80 Ca 0.10 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1ucv s SER 80 Cb -0.13 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1ucv s SER 80 CO -0.29 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.55