#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 -0.58 -0.11 1.61 0.15 -1.26 -5.17 113.70 108.34 1ucv s SER 2 Ca 0.00 0.50 -0.07 0.00 0.70 0.00 0.00 55.95 57.08 1ucv s SER 2 Cb 0.00 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1ucv s SER 2 CO 0.00 -0.66 0.28 -0.55 1.20 0.00 0.00 173.24 173.50 1ucv s SER 3 N -1.52 -0.30 0.00 5.45 0.15 -1.26 -5.15 113.70 111.07 1ucv s SER 3 Ca -0.09 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1ucv s SER 3 Cb -0.01 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1ucv s SER 3 CO 0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1ucv n GLY 4 N 3.71 0.53 3.90 9.45 0.00 -1.26 -5.01 105.19 116.51 1ucv n GLY 4 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1ucv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 5 N -1.00 6.30 -0.09 1.61 0.15 -1.26 -4.23 113.70 115.18 1ucv s SER 5 Ca 0.00 0.97 -0.24 0.00 0.70 0.00 0.00 55.95 57.38 1ucv s SER 5 Cb 0.00 -2.26 -0.29 0.00 -1.71 0.00 0.00 66.02 61.76 1ucv s SER 5 CO 0.00 -0.56 0.80 0.28 1.20 0.00 0.00 173.24 174.97 1ucv h SER 6 N 0.38 0.29 0.00 5.45 0.02 -1.94 -3.45 113.55 114.30 1ucv h SER 6 Ca -0.47 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 59.54 1ucv h SER 6 Cb 1.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ucv h SER 6 CO 0.62 1.29 0.00 0.61 -1.14 0.00 0.00 176.83 178.21 1ucv n GLY 7 N 1.65 1.79 3.68 -3.77 0.00 -1.26 -5.05 105.19 102.23 1ucv n GLY 7 Ca -0.14 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.74 0.99 -0.00 -1.26 -5.11 117.00 106.88 1ucv n LEU 8 Ca 0.00 -2.74 -0.30 0.00 -0.00 0.00 0.00 56.01 52.97 1ucv n LEU 8 Cb 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.28 1ucv n LEU 8 CO 0.00 -0.58 -0.29 0.28 -0.00 0.00 0.00 177.39 176.79 1ucv s THR 9 N -2.62 4.29 0.62 1.47 -1.32 -1.26 -4.09 115.64 112.72 1ucv s THR 9 Ca 0.32 -0.91 0.23 0.00 -1.21 0.00 0.00 61.69 60.12 1ucv s THR 9 Cb -0.03 -3.07 0.33 0.00 -1.51 0.00 0.00 72.50 68.23 1ucv s THR 9 CO 0.20 0.09 1.29 0.58 -2.21 0.00 0.00 174.62 174.58 1ucv h VAL 10 N 2.64 0.02 0.00 5.08 2.07 -1.84 0.51 116.25 124.73 1ucv h VAL 10 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ucv h VAL 10 Cb 1.17 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ucv h VAL 10 CO 0.63 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 179.45 1ucv h GLY 11 N 0.00 -0.01 -0.00 2.17 0.00 -1.91 -2.76 103.07 100.56 1ucv h GLY 11 Ca 0.40 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1ucv h GLY 11 CO -0.00 -0.00 -0.42 -0.55 0.00 0.00 0.00 176.54 175.57 1ucv h ASP 12 N -0.90 -1.31 0.52 0.19 5.19 -0.35 0.38 116.42 120.13 1ucv h ASP 12 Ca -0.00 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1ucv h ASP 12 Cb 0.87 0.54 0.00 0.00 0.18 0.00 0.00 39.33 40.92 1ucv h ASP 12 CO 0.00 -0.42 -0.30 -0.25 -3.12 0.00 0.00 179.24 175.15 1ucv h TRP 13 N -0.48 -0.79 -0.94 4.55 7.01 -1.67 -2.81 115.95 120.82 1ucv h TRP 13 Ca 0.08 -0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.35 1ucv h TRP 13 Cb 0.62 0.27 -0.15 0.00 -2.10 0.00 0.00 29.16 27.81 1ucv h TRP 13 CO -0.49 -0.45 0.37 -0.07 -2.79 0.00 0.00 178.44 175.01 1ucv h LEU 14 N -0.76 0.20 -1.17 0.65 3.38 -1.37 0.66 115.31 116.91 1ucv h LEU 14 Ca -0.07 0.20 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1ucv h LEU 14 Cb 0.60 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 1ucv h LEU 14 CO 0.09 -0.17 0.61 -0.78 0.09 0.00 0.00 178.44 178.28 1ucv h ASP 15 N 0.24 0.70 -0.69 -0.43 1.82 0.02 0.27 116.42 118.34 1ucv h ASP 15 Ca 0.64 0.07 0.11 0.00 -0.39 0.00 0.00 57.03 57.46 1ucv h ASP 15 Cb 1.40 -0.06 -0.08 0.00 0.68 0.00 0.00 39.33 41.26 1ucv h ASP 15 CO -0.65 0.29 0.28 -1.28 -1.61 0.00 0.00 179.24 176.27 1ucv h SER 16 N 0.70 0.29 -0.37 2.28 0.87 0.53 0.12 113.55 117.97 1ucv h SER 16 Ca 0.52 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1ucv h SER 16 Cb 0.89 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ucv h SER 16 CO -0.29 0.15 0.00 2.30 -0.53 0.00 0.00 176.83 178.46 1ucv n ILE 17 N -4.97 0.48 -2.48 2.23 -5.35 -0.26 -4.92 119.36 104.10 1ucv n ILE 17 Ca 0.11 -0.59 -0.14 0.00 -0.27 0.00 0.00 62.75 61.87 1ucv n ILE 17 Cb 0.32 0.51 0.01 0.00 -1.74 0.00 0.00 39.64 38.74 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 0.90 -2.03 0.00 6.28 1.74 0.41 -4.90 116.66 119.06 1ucv n ARG 18 Ca 0.17 0.61 0.06 0.00 -0.77 0.00 0.00 57.85 57.92 1ucv n ARG 18 Cb 0.44 -4.82 0.02 0.00 -1.02 0.00 0.00 32.46 27.09 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ucv n MET 19 N -2.53 1.31 0.13 5.56 2.81 0.78 -4.57 117.12 120.60 1ucv n MET 19 Ca -0.12 -0.92 0.19 0.00 -1.81 0.00 0.00 57.70 55.04 1ucv n MET 19 Cb 0.60 -1.17 0.66 0.00 -0.71 0.00 0.00 33.22 32.60 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 2.33 0.00 1.61 3.03 0.00 -1.79 0.22 103.07 108.48 1ucv h GLY 20 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ucv h GLY 20 CO 0.00 0.00 0.17 0.07 0.00 0.00 0.00 176.54 176.78 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.91 0.33 114.38 117.71 1ucv h ARG 21 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1ucv h ARG 21 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1ucv h ARG 21 CO -0.00 0.00 -0.88 0.66 0.10 0.00 0.00 179.97 179.85 1ucv n TYR 22 N -3.43 0.07 -0.29 4.08 4.01 0.77 -4.51 117.16 117.86 1ucv n TYR 22 Ca -0.01 0.02 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1ucv n TYR 22 Cb 0.26 -0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.65 -0.30 -0.30 -0.72 0.63 0.12 0.16 116.66 114.59 1ucv n ARG 23 Ca 0.04 1.17 0.30 0.00 -0.92 0.00 0.00 57.85 58.43 1ucv n ARG 23 Cb 0.37 -1.72 0.55 0.00 0.45 0.00 0.00 32.46 32.11 1ucv n ARG 23 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1ucv n ASP 24 N -4.66 0.32 0.49 6.15 5.68 -1.26 -0.10 116.55 123.17 1ucv n ASP 24 Ca 0.01 1.54 -0.20 0.00 -0.50 0.00 0.00 54.79 55.64 1ucv n ASP 24 Cb 0.18 -0.75 -0.10 0.00 -1.14 0.00 0.00 41.12 39.31 1ucv n ASP 24 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1ucv h HIS 25 N 0.00 -1.29 -0.86 2.11 3.86 0.12 -2.88 115.15 116.21 1ucv h HIS 25 Ca 0.79 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 60.19 1ucv h HIS 25 Cb 2.10 0.44 -0.16 0.00 1.06 0.00 0.00 27.41 30.86 1ucv h HIS 25 CO -0.01 -0.77 -0.03 0.74 0.86 0.00 0.00 177.93 178.73 1ucv h PHE 26 N -1.30 -0.13 -0.77 2.45 -1.00 -0.39 0.99 116.94 116.80 1ucv h PHE 26 Ca -0.13 0.07 0.17 0.00 2.81 0.00 0.00 57.97 60.89 1ucv h PHE 26 Cb 1.01 0.19 -0.05 0.00 3.61 0.00 0.00 35.95 40.72 1ucv h PHE 26 CO -0.05 -0.33 0.52 0.00 -1.61 0.00 0.00 178.31 176.84 1ucv h ALA 27 N 1.84 2.20 0.00 2.45 0.00 -0.56 0.40 119.26 125.59 1ucv h ALA 27 Ca 0.48 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.13 1ucv h ALA 27 Cb 0.88 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ucv h ALA 27 CO -0.80 -0.42 -1.03 0.00 0.00 0.00 0.00 179.25 177.00 1ucv h ALA 28 N 1.64 0.17 0.00 0.00 0.00 0.12 -3.12 119.26 118.07 1ucv h ALA 28 Ca 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ucv h ALA 28 Cb 0.97 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ucv h ALA 28 CO -0.12 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1ucv n GLY 29 N 1.07 -0.65 0.70 0.00 0.00 -0.26 -4.78 105.19 101.27 1ucv n GLY 29 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.23 0.79 3.01 -0.02 0.00 -0.96 -5.06 105.19 103.18 1ucv n GLY 30 Ca 0.08 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 3.19 -0.16 1.61 1.51 0.12 -4.91 117.35 116.71 1ucv s TYR 31 Ca 0.00 -2.41 0.05 0.00 -1.01 0.00 0.00 57.07 53.70 1ucv s TYR 31 Cb 0.00 -2.18 -0.07 0.00 -0.11 0.00 0.00 41.96 39.60 1ucv s TYR 31 CO 0.00 -0.88 0.19 -1.13 -1.11 0.00 0.00 175.55 172.61 1ucv n SER 32 N 4.44 1.64 -4.43 2.29 3.41 -1.26 -0.72 113.62 118.99 1ucv n SER 32 Ca -0.07 -0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 57.93 1ucv n SER 32 Cb 0.42 1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 65.37 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ucv s SER 33 N -1.97 2.61 0.08 4.04 0.01 -1.26 -3.94 113.70 113.27 1ucv s SER 33 Ca 0.00 -1.43 -0.09 0.00 1.31 0.00 0.00 55.95 55.75 1ucv s SER 33 Cb 0.04 -0.01 -0.23 0.00 0.21 0.00 0.00 66.02 66.03 1ucv s SER 33 CO 0.23 -0.65 1.17 -0.07 0.41 0.00 0.00 173.24 174.33 1ucv h LEU 34 N 2.02 0.65 -0.94 2.44 -0.00 -1.91 -3.11 115.31 114.45 1ucv h LEU 34 Ca -0.40 -0.60 0.26 0.00 -0.00 0.00 0.00 57.88 57.13 1ucv h LEU 34 Cb 1.25 -0.21 -0.17 0.00 -0.00 0.00 0.00 40.66 41.53 1ucv h LEU 34 CO 0.69 1.43 0.07 1.23 -0.00 0.00 0.00 178.44 181.86 1ucv h GLY 35 N 0.93 1.25 1.20 0.83 0.00 -1.88 0.31 103.07 105.71 1ucv h GLY 35 Ca -0.14 0.11 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 1ucv h GLY 35 CO 0.21 -0.48 -1.44 0.00 0.00 0.00 0.00 176.54 174.83 1ucv h MET 36 N 0.05 0.53 -0.69 4.80 -0.00 -1.83 -3.33 114.93 114.45 1ucv h MET 36 Ca 0.58 -0.90 0.10 0.00 -0.00 0.00 0.00 59.70 59.48 1ucv h MET 36 Cb 1.19 0.33 -0.07 0.00 -0.00 0.00 0.00 31.60 33.05 1ucv h MET 36 CO -0.85 1.43 0.33 0.28 -0.00 0.00 0.00 176.91 178.10 1ucv h VAL 37 N 0.11 0.82 0.00 -0.10 2.07 -0.73 0.24 116.25 118.65 1ucv h VAL 37 Ca -0.25 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ucv h VAL 37 Cb 2.13 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1ucv h VAL 37 CO 0.27 0.10 0.06 -0.07 0.02 0.00 0.00 177.57 177.94 1ucv h LEU 38 N 0.55 0.00 -3.34 2.57 3.38 -0.64 0.26 115.31 118.09 1ucv h LEU 38 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1ucv h LEU 38 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ucv h LEU 38 CO -0.29 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.78 1ucv n ARG 39 N -2.35 3.51 -3.07 1.13 1.74 0.82 -4.65 116.66 113.79 1ucv n ARG 39 Ca -0.02 -2.93 -0.19 0.00 -0.77 0.00 0.00 57.85 53.95 1ucv n ARG 39 Cb 0.09 -1.96 0.03 0.00 -1.02 0.00 0.00 32.46 29.60 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1ucv s MET 40 N -2.77 2.57 0.22 5.56 -1.94 0.92 -5.08 119.30 118.78 1ucv s MET 40 Ca 0.46 -1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 52.76 1ucv s MET 40 Cb 0.36 -2.68 0.04 0.00 2.01 0.00 0.00 34.83 34.57 1ucv s MET 40 CO 0.11 -0.54 0.77 -0.80 -0.01 0.00 0.00 175.02 174.55 1ucv s ASN 41 N -4.48 -0.28 0.21 3.03 0.01 -1.26 -4.94 114.94 107.23 1ucv s ASN 41 Ca 0.57 -0.46 0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1ucv s ASN 41 Cb -0.08 0.64 0.61 0.00 0.41 0.00 0.00 41.25 42.83 1ucv s ASN 41 CO 0.35 -1.16 1.01 0.00 -1.51 0.00 0.00 177.10 175.79 1ucv n ALA 42 N -0.44 0.43 -0.05 0.60 0.00 -1.26 0.21 120.51 120.00 1ucv n ALA 42 Ca -0.06 0.68 -0.08 0.00 0.00 0.00 0.00 53.44 53.98 1ucv n ALA 42 Cb 0.60 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 1ucv n ALA 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ucv h GLN 43 N 0.00 0.07 -0.02 0.00 1.08 -1.99 0.20 115.11 114.45 1ucv h GLN 43 Ca 0.44 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.61 1ucv h GLN 43 Cb 1.00 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1ucv h GLN 43 CO -0.57 0.05 -0.09 -0.44 -0.95 0.00 0.00 178.83 176.82 1ucv h ASP 44 N 0.07 0.11 0.00 1.46 3.32 0.21 -3.18 116.42 118.42 1ucv h ASP 44 Ca 0.10 -0.67 0.03 0.00 0.02 0.00 0.00 57.03 56.51 1ucv h ASP 44 Cb 0.13 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1ucv h ASP 44 CO -0.17 0.77 -0.36 0.58 -1.72 0.00 0.00 179.24 178.34 1ucv h VAL 45 N -0.53 0.24 -0.83 -1.35 2.07 -0.37 -1.81 116.25 113.68 1ucv h VAL 45 Ca -0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 1ucv h VAL 45 Cb 0.77 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.65 1ucv h VAL 45 CO 0.02 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.70 1ucv h ARG 46 N -0.52 0.20 -0.96 1.57 1.12 -0.71 0.41 114.38 115.49 1ucv h ARG 46 Ca 0.06 -0.01 0.18 0.00 -1.11 0.00 0.00 59.98 59.09 1ucv h ARG 46 Cb 0.60 -0.05 -0.09 0.00 -0.01 0.00 0.00 29.97 30.43 1ucv h ARG 46 CO -0.28 0.13 0.61 0.00 -3.11 0.00 0.00 179.97 177.32 1ucv h ALA 47 N 1.73 1.84 0.00 2.80 0.00 -1.31 0.41 119.26 124.73 1ucv h ALA 47 Ca 0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1ucv h ALA 47 Cb 0.94 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ucv h ALA 47 CO -0.62 -0.16 -0.08 -0.07 0.00 0.00 0.00 179.25 178.31 1ucv h LEU 48 N 0.67 0.00 0.00 0.00 3.38 -0.01 -3.46 115.31 115.89 1ucv h LEU 48 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1ucv h LEU 48 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ucv h LEU 48 CO -0.28 0.08 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1ucv n GLY 49 N -0.86 0.61 3.55 0.83 0.00 0.14 -4.82 105.19 104.65 1ucv n GLY 49 Ca -0.02 -0.05 -0.37 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 -0.88 3.12 -0.00 -0.61 1.09 -1.25 -4.65 121.20 118.02 1ucv s ILE 50 Ca 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 1ucv s ILE 50 Cb 0.00 -3.33 -0.00 0.00 -1.06 0.00 0.00 42.46 38.07 1ucv s ILE 50 CO 0.00 -0.32 0.00 0.35 -0.10 0.00 0.00 174.94 174.87 1ucv n THR 51 N 7.73 0.00 -1.53 2.92 -2.24 -1.26 -4.05 114.28 115.86 1ucv n THR 51 Ca 0.31 -0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.56 1ucv n THR 51 Cb 0.54 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.54 2.25 -0.32 3.22 7.99 -1.26 -4.63 117.00 122.72 1ucv n LEU 52 Ca -0.00 0.65 0.18 0.00 -0.01 0.00 0.00 56.01 56.84 1ucv n LEU 52 Cb 0.04 -1.22 0.37 0.00 -0.11 0.00 0.00 43.42 42.49 1ucv n LEU 52 CO 0.00 -0.58 0.96 0.24 -1.51 0.00 0.00 177.39 176.49 1ucv h MET 53 N 10.56 0.14 -0.04 3.23 2.86 -1.98 1.29 114.93 131.00 1ucv h MET 53 Ca -0.33 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1ucv h MET 53 Cb 1.32 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1ucv h MET 53 CO 1.00 0.09 -0.12 0.78 1.06 0.00 0.00 176.91 179.73 1ucv h GLY 54 N 0.15 0.07 0.00 8.32 0.00 -2.01 -2.66 103.07 106.93 1ucv h GLY 54 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1ucv h GLY 54 CO -0.73 0.03 -0.37 1.42 0.00 0.00 0.00 176.54 176.89 1ucv n HIS 55 N -4.36 0.49 -0.28 5.60 8.25 0.39 -4.08 115.22 121.23 1ucv n HIS 55 Ca -0.02 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.76 1ucv n HIS 55 Cb 0.21 -0.53 0.22 0.00 1.12 0.00 0.00 29.99 31.01 1ucv n HIS 55 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ucv n GLN 56 N -3.74 -0.07 -0.14 -0.41 6.02 0.20 0.15 117.38 119.40 1ucv n GLN 56 Ca -0.05 1.23 -0.04 0.00 -0.01 0.00 0.00 57.00 58.13 1ucv n GLN 56 Cb 0.19 -1.93 0.04 0.00 1.02 0.00 0.00 30.24 29.57 1ucv n GLN 56 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ucv h LYS 57 N 0.00 0.17 0.43 -1.09 1.57 -1.66 0.21 116.57 116.20 1ucv h LYS 57 Ca 0.48 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1ucv h LYS 57 Cb 0.94 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1ucv h LYS 57 CO -0.78 0.11 -0.25 0.87 -0.57 0.00 0.00 179.45 178.83 1ucv h LYS 58 N 0.17 -0.61 0.05 3.15 6.56 0.13 0.61 116.57 126.63 1ucv h LYS 58 Ca 0.22 0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.86 1ucv h LYS 58 Cb 0.30 0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 32.05 1ucv h LYS 58 CO -0.32 -0.41 -0.43 0.82 -2.06 0.00 0.00 179.45 177.05 1ucv h ILE 59 N -0.63 0.00 0.16 1.86 2.04 -1.30 0.91 117.51 120.55 1ucv h ILE 59 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ucv h ILE 59 Cb 0.50 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1ucv h ILE 59 CO 0.06 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.68 1ucv h LEU 60 N -0.58 -1.36 -2.05 1.44 4.07 -0.63 0.88 115.31 117.08 1ucv h LEU 60 Ca 0.00 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.18 1ucv h LEU 60 Cb 0.60 0.50 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1ucv h LEU 60 CO -0.26 -0.53 0.19 1.23 -1.08 0.00 0.00 178.44 177.99 1ucv h GLY 61 N -0.72 0.00 2.00 0.83 0.00 0.43 0.76 103.07 106.38 1ucv h GLY 61 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1ucv h GLY 61 CO -0.24 0.00 -0.67 0.23 0.00 0.00 0.00 176.54 175.86 1ucv h SER 62 N 0.00 0.00 0.00 0.19 0.87 0.22 -3.25 113.55 111.58 1ucv h SER 62 Ca 0.12 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1ucv h SER 62 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1ucv h SER 62 CO -0.00 0.67 -0.31 0.40 -0.53 0.00 0.00 176.83 177.05 1ucv h ILE 63 N 0.00 0.80 -1.06 2.23 2.04 0.11 -2.93 117.51 118.70 1ucv h ILE 63 Ca -0.01 -1.69 0.41 0.00 1.00 0.00 0.00 64.86 64.58 1ucv h ILE 63 Cb 1.31 1.60 -0.17 0.00 -0.74 0.00 0.00 36.82 38.82 1ucv h ILE 63 CO 0.09 0.27 0.60 0.06 0.00 0.00 0.00 178.15 179.16 1ucv h GLN 64 N -1.00 0.05 0.04 2.37 3.07 -1.07 1.56 115.11 120.12 1ucv h GLN 64 Ca -0.06 -0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.43 1ucv h GLN 64 Cb 0.67 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.20 1ucv h GLN 64 CO -0.04 0.03 -1.15 0.00 0.09 0.00 0.00 178.83 177.76 1ucv h THR 65 N 0.05 1.56 0.00 1.86 1.03 -1.69 -0.67 112.91 115.04 1ucv h THR 65 Ca 0.84 -3.24 -0.12 0.00 -0.01 0.00 0.00 66.41 63.88 1ucv h THR 65 Cb 2.25 2.83 -0.02 0.00 -1.07 0.00 0.00 68.15 72.15 1ucv h THR 65 CO -0.70 0.91 -0.57 0.24 -0.01 0.00 0.00 175.52 175.38 1ucv h MET 66 N 0.02 0.00 0.07 0.00 2.86 0.22 -3.17 114.93 114.93 1ucv h MET 66 Ca -0.08 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.22 1ucv h MET 66 Cb 1.85 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.48 1ucv h MET 66 CO 0.15 0.57 -1.98 2.89 1.06 0.00 0.00 176.91 179.60 1ucv n ARG 67 N -3.85 0.71 -0.34 1.72 1.85 0.14 -4.20 116.66 112.69 1ucv n ARG 67 Ca -0.01 0.25 0.12 0.00 -1.00 0.00 0.00 57.85 57.21 1ucv n ARG 67 Cb 0.58 -1.71 0.31 0.00 -1.05 0.00 0.00 32.46 30.59 1ucv n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ucv h ALA 68 N 0.41 1.58 -0.83 2.89 0.00 -1.14 0.13 119.26 122.30 1ucv h ALA 68 Ca -0.40 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ucv h ALA 68 Cb 2.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1ucv h ALA 68 CO 0.07 -0.11 0.55 -0.56 0.00 0.00 0.00 179.25 179.19 1ucv h GLN 69 N 0.68 0.98 -0.35 0.00 3.07 -1.72 -2.89 115.11 114.87 1ucv h GLN 69 Ca 0.56 -0.06 0.05 0.00 0.09 0.00 0.00 58.65 59.29 1ucv h GLN 69 Cb 0.90 -0.22 -0.08 0.00 0.08 0.00 0.00 27.48 28.16 1ucv h GLN 69 CO -0.40 0.65 -0.55 -0.07 0.09 0.00 0.00 178.83 178.55 1ucv h LEU 70 N 1.01 -1.81 -0.64 0.06 3.38 -0.93 -0.91 115.31 115.46 1ucv h LEU 70 Ca 0.34 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.65 1ucv h LEU 70 Cb 0.07 0.74 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1ucv h LEU 70 CO -0.10 -0.42 0.22 0.71 0.09 0.00 0.00 178.44 178.94 1ucv h THR 71 N -0.43 0.72 -3.45 0.22 1.35 -1.57 -3.43 112.91 106.32 1ucv h THR 71 Ca 0.07 -0.13 -0.56 0.00 -0.55 0.00 0.00 66.41 65.24 1ucv h THR 71 Cb 0.61 0.30 0.18 0.00 -1.73 0.00 0.00 68.15 67.51 1ucv h THR 71 CO -0.56 0.07 -0.18 -1.20 -0.25 0.00 0.00 175.52 173.40 1ucv n SER 72 N -5.03 -0.47 0.14 5.36 7.64 -0.35 -4.94 113.62 115.98 1ucv n SER 72 Ca 0.10 0.63 -0.25 0.00 1.01 0.00 0.00 58.87 60.36 1ucv n SER 72 Cb 0.32 -1.30 -0.16 0.00 -1.01 0.00 0.00 64.21 62.06 1ucv n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ucv h THR 73 N -0.31 1.23 -3.74 0.44 1.03 -1.83 -3.45 112.91 106.28 1ucv h THR 73 Ca -0.46 -2.67 -0.50 0.00 -0.01 0.00 0.00 66.41 62.76 1ucv h THR 73 Cb 1.34 3.01 0.00 0.00 -1.07 0.00 0.00 68.15 71.44 1ucv h THR 73 CO 0.45 0.82 0.44 -1.58 -0.01 0.00 0.00 175.52 175.64 1ucv s GLN 74 N -2.60 4.69 0.00 0.00 2.00 -1.26 -4.41 119.66 118.08 1ucv s GLN 74 Ca -0.10 1.71 0.00 0.00 -2.00 0.00 0.00 55.36 54.96 1ucv s GLN 74 Cb 0.04 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.62 1ucv s GLN 74 CO 0.94 0.26 0.00 0.41 -0.50 0.00 0.00 175.29 176.39 1ucv n GLY 75 N 1.45 1.85 4.03 2.59 0.00 -1.26 -4.93 105.19 108.92 1ucv n GLY 75 Ca -0.01 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1ucv n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ucv n SER 76 N 0.78 -3.67 -0.74 1.61 3.41 -1.26 -4.64 113.62 109.11 1ucv n SER 76 Ca 0.00 -0.89 0.08 0.00 -0.26 0.00 0.00 58.87 57.80 1ucv n SER 76 Cb 0.00 -3.37 -0.02 0.00 -0.26 0.00 0.00 64.21 60.56 1ucv n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ucv n GLY 77 N -1.59 -0.91 3.42 5.00 0.00 -1.26 -4.76 105.19 105.08 1ucv n GLY 77 Ca 0.01 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.23 -0.19 0.13 1.61 -0.02 -1.26 -4.91 135.00 128.13 1ucv n PRO 78 Ca 0.00 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 1ucv n PRO 78 Cb 0.28 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1ucv n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ucv h SER 79 N -1.37 -0.45 -3.54 2.55 0.87 -1.91 -3.39 113.55 106.30 1ucv h SER 79 Ca -0.44 0.04 -0.61 0.00 -1.23 0.00 0.00 61.79 59.56 1ucv h SER 79 Cb 1.29 0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 63.29 1ucv h SER 79 CO 0.35 -0.26 -0.10 -0.94 -0.53 0.00 0.00 176.83 175.36 1ucv s SER 80 N -4.88 6.45 0.00 6.23 1.04 -1.26 -5.21 113.70 116.06 1ucv s SER 80 Ca -0.15 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1ucv s SER 80 Cb 0.07 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1ucv s SER 80 CO 0.65 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.29