#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwo h GLU 2 N 0.00 -0.62 0.00 -1.46 4.39 -2.04 -2.74 114.58 112.11 1uwo h GLU 2 Ca 0.00 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1uwo h GLU 2 Cb 0.00 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1uwo h GLU 2 CO 0.00 -0.41 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.31 1uwo h LEU 3 N -1.09 0.00 0.24 1.33 4.07 -2.04 -1.69 115.31 116.13 1uwo h LEU 3 Ca -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1uwo h LEU 3 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1uwo h LEU 3 CO 0.11 0.05 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.08 1uwo h GLU 4 N 0.00 -0.31 -0.53 1.13 4.39 -1.97 0.48 114.58 117.77 1uwo h GLU 4 Ca -0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1uwo h GLU 4 Cb 0.36 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1uwo h GLU 4 CO 0.01 -0.21 0.34 0.87 -1.16 0.00 0.00 179.01 178.86 1uwo h LYS 5 N -0.38 0.66 0.00 2.33 1.79 -1.48 0.25 116.57 119.74 1uwo h LYS 5 Ca -0.03 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1uwo h LYS 5 Cb 0.25 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1uwo h LYS 5 CO 0.05 0.44 -0.01 0.00 -1.08 0.00 0.00 179.45 178.85 1uwo h ALA 6 N 1.21 1.07 0.11 3.86 0.00 -1.34 -2.13 119.26 122.04 1uwo h ALA 6 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1uwo h ALA 6 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uwo h ALA 6 CO -0.06 0.02 -0.05 1.98 0.00 0.00 0.00 179.25 181.13 1uwo h MET 7 N 0.00 -0.14 0.00 0.00 1.85 0.21 -1.46 114.93 115.39 1uwo h MET 7 Ca -0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1uwo h MET 7 Cb 0.15 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 1uwo h MET 7 CO 0.00 0.35 -0.02 -0.24 -0.40 0.00 0.00 176.91 176.61 1uwo h VAL 8 N -0.79 0.10 0.00 -5.77 3.04 -1.14 -1.23 116.25 110.45 1uwo h VAL 8 Ca -0.02 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1uwo h VAL 8 Cb 0.56 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1uwo h VAL 8 CO 0.02 0.02 -0.00 0.00 -1.01 0.00 0.00 177.57 176.60 1uwo h ALA 9 N 1.98 0.00 -0.55 3.17 0.00 -1.31 -2.28 119.26 120.28 1uwo h ALA 9 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1uwo h ALA 9 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1uwo h ALA 9 CO 0.00 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.49 1uwo h LEU 10 N -0.00 -0.26 -0.05 0.00 5.85 -1.30 0.15 115.31 119.70 1uwo h LEU 10 Ca 0.00 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1uwo h LEU 10 Cb 0.00 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1uwo h LEU 10 CO 0.00 -0.10 -0.03 0.40 -0.34 0.00 0.00 178.44 178.37 1uwo h ILE 11 N 0.11 0.91 0.00 4.05 5.03 -1.40 0.12 117.51 126.32 1uwo h ILE 11 Ca 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.02 1uwo h ILE 11 Cb 0.43 0.91 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1uwo h ILE 11 CO -0.47 0.00 0.00 -0.78 -0.68 0.00 0.00 178.15 176.22 1uwo h ASP 12 N -0.03 0.00 0.90 1.72 3.58 -0.58 0.47 116.42 122.48 1uwo h ASP 12 Ca 0.03 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 1uwo h ASP 12 Cb 0.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1uwo h ASP 12 CO -0.07 0.00 -1.18 0.58 -2.88 0.00 0.00 179.24 175.69 1uwo h VAL 13 N 0.00 0.69 -0.13 2.25 2.07 0.16 -2.22 116.25 119.07 1uwo h VAL 13 Ca 0.00 -2.19 -0.07 0.00 0.82 0.00 0.00 66.70 65.26 1uwo h VAL 13 Cb 0.03 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1uwo h VAL 13 CO 0.00 0.39 -0.18 0.15 0.02 0.00 0.00 177.57 177.96 1uwo h PHE 14 N 0.00 0.44 0.05 1.57 3.57 0.11 -0.46 116.94 122.21 1uwo h PHE 14 Ca -0.12 -0.14 -0.23 0.00 3.53 0.00 0.00 57.97 61.00 1uwo h PHE 14 Cb 1.58 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.23 1uwo h PHE 14 CO 0.00 0.78 -1.03 0.45 -2.23 0.00 0.00 178.31 176.28 1uwo h HIS 15 N -0.04 0.44 0.30 0.41 3.86 -1.62 -2.42 115.15 116.07 1uwo h HIS 15 Ca 0.02 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1uwo h HIS 15 Cb 0.73 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1uwo h HIS 15 CO 0.09 1.14 -0.15 0.37 0.86 0.00 0.00 177.93 180.24 1uwo h GLN 16 N 0.12 -0.39 -0.27 2.45 4.15 -1.41 0.32 115.11 120.08 1uwo h GLN 16 Ca -0.08 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1uwo h GLN 16 Cb 1.71 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 29.42 1uwo h GLN 16 CO 0.17 -0.26 -0.24 1.88 -1.93 0.00 0.00 178.83 178.45 1uwo h TYR 17 N -0.66 -0.63 0.00 3.99 -1.99 -1.22 0.28 116.97 116.73 1uwo h TYR 17 Ca -0.04 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1uwo h TYR 17 Cb 0.31 0.32 -0.00 0.00 2.00 0.00 0.00 36.73 39.36 1uwo h TYR 17 CO 0.06 -0.31 -0.09 1.03 -0.00 0.00 0.00 178.16 178.84 1uwo h SER 18 N -0.23 0.00 -0.01 3.88 0.87 -1.52 -1.87 113.55 114.67 1uwo h SER 18 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1uwo h SER 18 Cb 0.45 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1uwo h SER 18 CO -0.40 0.09 0.26 1.23 -0.53 0.00 0.00 176.83 177.48 1uwo h GLY 19 N 0.64 0.00 0.99 5.77 0.00 0.34 0.16 103.07 110.98 1uwo h GLY 19 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 1uwo h GLY 19 CO 0.01 0.00 -1.67 0.54 0.00 0.00 0.00 176.54 175.43 1uwo n ARG 20 N -2.97 0.63 -1.94 4.80 5.12 -0.70 -4.18 116.66 117.41 1uwo n ARG 20 Ca -0.02 0.29 -0.42 0.00 -1.93 0.00 0.00 57.85 55.77 1uwo n ARG 20 Cb 0.31 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1uwo n ARG 20 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1uwo n GLU 21 N -3.03 3.13 -2.95 5.56 0.00 0.58 -4.74 120.64 119.19 1uwo n GLU 21 Ca -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 57.16 54.06 1uwo n GLU 21 Cb 1.02 -3.16 -0.01 0.00 0.00 0.00 0.00 31.44 29.29 1uwo n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uwo n GLY 22 N 3.63 -1.77 7.00 8.31 0.00 -1.26 -4.59 105.19 116.51 1uwo n GLY 22 Ca 0.48 0.50 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1uwo n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 23 N 1.87 0.00 -3.30 1.61 8.00 -1.26 -4.71 116.55 118.76 1uwo n ASP 23 Ca -0.10 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.30 1uwo n ASP 23 Cb 0.27 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1uwo n ASP 23 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1uwo s LYS 24 N 0.00 0.51 0.00 -1.24 -2.85 -1.25 -2.66 119.74 112.25 1uwo s LYS 24 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1uwo s LYS 24 Cb 0.00 -0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.43 1uwo s LYS 24 CO 0.00 -1.09 0.00 0.72 0.10 0.00 0.00 175.35 175.08 1uwo n HIS 25 N 5.01 -0.48 -4.26 1.78 8.25 -1.26 -4.92 115.22 119.34 1uwo n HIS 25 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 1uwo n HIS 25 Cb 0.49 0.34 -0.10 0.00 1.12 0.00 0.00 29.99 31.84 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uwo s LYS 26 N -1.68 1.32 -0.11 -0.41 1.02 -1.25 -4.49 119.74 114.14 1uwo s LYS 26 Ca 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1uwo s LYS 26 Cb 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1uwo s LYS 26 CO 0.00 -0.35 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.42 1uwo s LEU 27 N -3.25 2.57 0.75 3.17 1.43 -1.21 -4.62 118.68 117.52 1uwo s LEU 27 Ca 0.38 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1uwo s LEU 27 Cb 0.07 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.78 1uwo s LEU 27 CO 0.13 0.19 1.09 -1.59 0.23 0.00 0.00 176.35 176.40 1uwo s LYS 28 N 0.21 2.47 0.58 1.70 -2.85 -1.26 -1.84 119.74 118.76 1uwo s LYS 28 Ca -0.10 0.62 0.35 0.00 -1.00 0.00 0.00 55.97 55.84 1uwo s LYS 28 Cb -0.16 -1.96 1.30 0.00 -2.06 0.00 0.00 37.83 34.95 1uwo s LYS 28 CO 0.06 -1.34 1.51 0.87 0.10 0.00 0.00 175.35 176.55 1uwo h LYS 29 N -0.88 0.00 0.03 1.78 6.56 -1.92 0.22 116.57 122.36 1uwo h LYS 29 Ca -0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1uwo h LYS 29 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 1uwo h LYS 29 CO 0.61 0.00 -0.02 0.77 -2.06 0.00 0.00 179.45 178.75 1uwo h SER 30 N 0.00 -0.04 -0.96 0.86 0.02 -1.94 -2.75 113.55 108.74 1uwo h SER 30 Ca 0.60 -0.65 0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1uwo h SER 30 Cb 2.89 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 65.37 1uwo h SER 30 CO -0.01 0.73 0.61 -0.33 -1.14 0.00 0.00 176.83 176.70 1uwo h GLU 31 N -0.92 0.91 0.00 3.45 4.39 -0.91 -1.35 114.58 120.16 1uwo h GLU 31 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1uwo h GLU 31 Cb 0.68 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1uwo h GLU 31 CO 0.01 0.60 0.00 1.28 -1.16 0.00 0.00 179.01 179.74 1uwo n LEU 32 N -4.58 0.01 -0.27 1.33 4.32 -0.69 -1.66 117.00 115.46 1uwo n LEU 32 Ca 0.18 0.93 0.32 0.00 -0.02 0.00 0.00 56.01 57.42 1uwo n LEU 32 Cb 0.35 -0.49 0.59 0.00 -1.62 0.00 0.00 43.42 42.25 1uwo n LEU 32 CO 0.29 -0.49 1.30 0.50 -1.22 0.00 0.00 177.39 177.76 1uwo h LYS 33 N 0.00 0.00 0.07 3.23 1.63 -1.33 0.49 116.57 120.66 1uwo h LYS 33 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1uwo h LYS 33 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1uwo h LYS 33 CO 0.00 0.00 -0.03 0.93 -3.45 0.00 0.00 179.45 176.90 1uwo h GLU 34 N 0.00 -0.09 0.12 1.90 5.08 -0.79 -0.38 114.58 120.42 1uwo h GLU 34 Ca 0.53 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1uwo h GLU 34 Cb 2.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.99 1uwo h GLU 34 CO -0.01 0.42 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.30 1uwo h LEU 35 N -0.66 -0.14 -1.40 1.33 3.38 0.89 1.44 115.31 120.15 1uwo h LEU 35 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1uwo h LEU 35 Cb 0.55 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1uwo h LEU 35 CO 0.02 -0.09 0.13 0.40 0.09 0.00 0.00 178.44 178.99 1uwo h ILE 36 N -0.17 1.16 -0.02 1.22 2.04 -1.43 -0.93 117.51 119.38 1uwo h ILE 36 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1uwo h ILE 36 Cb 0.13 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1uwo h ILE 36 CO 0.03 0.19 -0.06 0.59 0.00 0.00 0.00 178.15 178.90 1uwo n ASN 37 N -4.37 1.75 -0.07 1.72 5.03 -0.15 0.16 115.26 119.32 1uwo n ASN 37 Ca 0.02 -1.51 -0.22 0.00 0.87 0.00 0.00 54.58 53.75 1uwo n ASN 37 Cb 0.16 0.04 -0.12 0.00 -1.02 0.00 0.00 39.78 38.83 1uwo n ASN 37 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uwo n ASN 38 N 0.28 2.01 0.00 6.41 5.03 0.49 -4.00 115.26 125.48 1uwo n ASN 38 Ca 0.17 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.80 1uwo n ASN 38 Cb 0.41 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1uwo n GLU 39 N -3.73 6.02 0.00 3.52 4.71 -0.74 -4.65 120.64 125.78 1uwo n GLU 39 Ca -0.38 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 56.83 1uwo n GLU 39 Cb 0.94 -0.44 -0.03 0.00 -1.01 0.00 0.00 31.44 30.90 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1uwo n LEU 40 N -0.87 1.07 0.02 -4.62 4.32 -0.08 -4.39 117.00 112.46 1uwo n LEU 40 Ca 0.00 -0.66 0.04 0.00 -0.02 0.00 0.00 56.01 55.38 1uwo n LEU 40 Cb 0.00 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.00 1uwo n LEU 40 CO 0.00 0.22 0.64 -1.54 -1.22 0.00 0.00 177.39 175.49 1uwo n SER 41 N -0.63 0.09 -0.04 -1.43 3.41 0.12 -1.30 113.62 113.85 1uwo n SER 41 Ca 0.04 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.14 1uwo n SER 41 Cb 0.24 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uwo n HIS 42 N -1.62 0.09 -0.17 7.33 8.25 -1.26 -2.02 115.22 125.83 1uwo n HIS 42 Ca 0.01 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1uwo n HIS 42 Cb 0.08 -0.30 0.08 0.00 1.12 0.00 0.00 29.99 30.97 1uwo n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1uwo h PHE 43 N -0.50 0.17 0.00 4.41 3.04 -1.80 -3.34 116.94 118.93 1uwo h PHE 43 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1uwo h PHE 43 Cb 0.45 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1uwo h PHE 43 CO -0.19 -0.01 0.00 1.28 -2.02 0.00 0.00 178.31 177.37 1uwo n LEU 44 N -5.11 0.00 0.00 0.59 4.32 -0.42 -5.02 117.00 111.36 1uwo n LEU 44 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1uwo n LEU 44 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1uwo n LEU 44 CO 0.20 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.75 1uwo n GLU 45 N 0.00 0.00 -4.20 3.23 1.02 -1.24 -4.93 120.64 114.52 1uwo n GLU 45 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1uwo n GLU 45 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1uwo n GLU 46 N 0.00 -2.87 -2.98 3.49 0.00 -0.86 -3.13 120.64 114.29 1uwo n GLU 46 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 57.16 57.50 1uwo n GLU 46 Cb 0.00 -4.86 -0.01 0.00 0.00 0.00 0.00 31.44 26.57 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1uwo n ILE 47 N -4.38 -5.61 -0.27 6.31 2.08 -1.26 -4.58 119.36 111.64 1uwo n ILE 47 Ca -0.02 1.01 0.33 0.00 0.56 0.00 0.00 62.75 64.63 1uwo n ILE 47 Cb 0.54 -4.31 0.62 0.00 -0.75 0.00 0.00 39.64 35.74 1uwo n ILE 47 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1uwo h LYS 48 N 3.81 0.00 0.00 0.38 2.10 -1.94 -3.30 116.57 117.63 1uwo h LYS 48 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1uwo h LYS 48 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1uwo h LYS 48 CO 0.03 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.57 1uwo n GLU 49 N -3.59 0.00 -3.11 0.07 4.07 -1.26 -4.94 120.64 111.87 1uwo n GLU 49 Ca 0.25 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.12 1uwo n GLU 49 Cb 1.43 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 32.84 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1uwo n GLN 50 N 0.00 -4.79 0.00 5.31 6.02 -1.24 -4.92 117.38 117.76 1uwo n GLN 50 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1uwo n GLN 50 Cb 0.00 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 25.58 1uwo n GLN 50 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1uwo n GLU 51 N -4.04 0.00 0.02 -1.09 4.71 -1.26 -1.81 120.64 117.17 1uwo n GLU 51 Ca -0.09 0.49 0.13 0.00 -0.01 0.00 0.00 57.16 57.68 1uwo n GLU 51 Cb 0.60 -1.20 0.45 0.00 -1.01 0.00 0.00 31.44 30.29 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1uwo n VAL 52 N -1.98 0.11 0.07 2.62 0.31 -1.26 -0.96 118.33 117.24 1uwo n VAL 52 Ca 0.00 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 1uwo n VAL 52 Cb 0.00 -0.28 -0.15 0.00 -0.91 0.00 0.00 33.84 32.51 1uwo n VAL 52 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uwo h VAL 53 N 0.00 1.10 0.00 2.52 2.07 -1.95 -0.43 116.25 119.55 1uwo h VAL 53 Ca 0.00 -2.70 -0.06 0.00 0.82 0.00 0.00 66.70 64.76 1uwo h VAL 53 Cb 0.55 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1uwo h VAL 53 CO 0.00 0.83 -1.17 -0.67 0.02 0.00 0.00 177.57 176.58 1uwo n ASP 54 N -3.52 0.84 -0.07 0.57 -0.08 -0.75 -2.88 116.55 110.66 1uwo n ASP 54 Ca -0.19 0.34 -0.20 0.00 -1.51 0.00 0.00 54.79 53.23 1uwo n ASP 54 Cb 1.06 0.36 -0.12 0.00 2.34 0.00 0.00 41.12 44.76 1uwo n ASP 54 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1uwo h LYS 55 N 0.00 0.05 -0.55 -0.67 1.57 -1.15 -3.34 116.57 112.48 1uwo h LYS 55 Ca -0.06 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1uwo h LYS 55 Cb 1.21 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1uwo h LYS 55 CO 0.02 1.04 0.16 -0.24 -0.57 0.00 0.00 179.45 179.86 1uwo h VAL 56 N -0.83 1.24 -0.91 0.50 3.04 -1.24 -2.61 116.25 115.44 1uwo h VAL 56 Ca -0.28 -0.82 0.25 0.00 -1.01 0.00 0.00 66.70 64.83 1uwo h VAL 56 Cb 1.37 0.73 -0.16 0.00 -2.01 0.00 0.00 31.29 31.22 1uwo h VAL 56 CO -0.11 0.30 0.14 -0.03 -1.01 0.00 0.00 177.57 176.86 1uwo h MET 57 N 0.77 0.10 -0.54 4.17 1.85 -1.66 1.04 114.93 120.66 1uwo h MET 57 Ca 0.18 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.25 1uwo h MET 57 Cb 0.30 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.28 1uwo h MET 57 CO -0.00 0.07 0.31 1.49 -0.40 0.00 0.00 176.91 178.38 1uwo h GLU 58 N 0.11 0.75 0.00 0.39 4.81 -1.59 -0.16 114.58 118.89 1uwo h GLU 58 Ca 0.56 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1uwo h GLU 58 Cb 1.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1uwo h GLU 58 CO -0.76 0.56 0.00 1.15 -0.73 0.00 0.00 179.01 179.23 1uwo h THR 59 N 0.73 0.00 -0.55 0.32 2.02 0.11 -0.96 112.91 114.58 1uwo h THR 59 Ca 0.19 -0.11 -0.26 0.00 0.77 0.00 0.00 66.41 67.00 1uwo h THR 59 Cb 0.02 1.02 -0.16 0.00 -1.74 0.00 0.00 68.15 67.29 1uwo h THR 59 CO -0.03 0.00 0.33 0.18 0.37 0.00 0.00 175.52 176.37 1uwo n LEU 60 N -2.91 4.99 -4.48 2.58 4.77 -0.02 -4.82 117.00 117.10 1uwo n LEU 60 Ca -0.02 -2.62 -0.43 0.00 -0.03 0.00 0.00 56.01 52.92 1uwo n LEU 60 Cb 0.12 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1uwo n LEU 60 CO 0.20 0.78 0.91 -0.62 -1.33 0.00 0.00 177.39 177.32 1uwo s ASP 61 N -0.34 6.23 -0.08 -1.43 2.15 -0.37 -4.56 116.67 118.27 1uwo s ASP 61 Ca 0.33 -1.00 0.20 0.00 0.43 0.00 0.00 52.55 52.50 1uwo s ASP 61 Cb 0.27 -2.46 -0.30 0.00 -0.30 0.00 0.00 42.92 40.14 1uwo s ASP 61 CO 0.07 -1.50 0.33 0.59 -0.17 0.00 0.00 175.17 174.49 1uwo n ASN 62 N 8.03 0.22 0.00 -0.34 4.13 -1.26 -4.59 115.26 121.46 1uwo n ASN 62 Ca 0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1uwo n ASN 62 Cb 0.47 1.63 0.00 0.00 -1.54 0.00 0.00 39.78 40.34 1uwo n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1uwo n ASP 63 N -2.39 0.00 -2.21 6.41 8.00 -1.26 -5.07 116.55 120.03 1uwo n ASP 63 Ca -0.13 -1.00 -0.03 0.00 0.71 0.00 0.00 54.79 54.34 1uwo n ASP 63 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwo n GLY 64 N 0.00 -1.99 0.00 0.44 0.00 -1.26 -4.95 105.19 97.44 1uwo n GLY 64 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1uwo n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 65 N -0.11 0.00 0.00 1.61 9.92 -1.26 -4.98 116.55 121.73 1uwo n ASP 65 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1uwo n ASP 65 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uwo n GLY 66 N 0.00 1.37 3.59 0.44 0.00 -1.26 -4.92 105.19 104.40 1uwo n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1uwo n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uwo s GLU 67 N -0.27 3.79 0.72 1.61 -1.05 -1.26 -3.93 118.70 118.32 1uwo s GLU 67 Ca 0.00 0.36 -0.12 0.00 -0.15 0.00 0.00 54.97 55.06 1uwo s GLU 67 Cb 0.00 -3.79 0.03 0.00 -0.44 0.00 0.00 34.13 29.93 1uwo s GLU 67 CO 0.00 -0.82 1.10 0.00 0.95 0.00 0.00 175.26 176.49 1uwo s ASP 69 N -3.03 3.83 0.03 0.00 1.01 -1.26 -3.29 116.67 113.95 1uwo s ASP 69 Ca 0.64 -1.44 -0.27 0.00 0.71 0.00 0.00 52.55 52.18 1uwo s ASP 69 Cb -0.19 -0.14 -0.17 0.00 1.01 0.00 0.00 42.92 43.43 1uwo s ASP 69 CO 0.50 -0.56 1.32 0.15 0.21 0.00 0.00 175.17 176.79 1uwo h PHE 70 N 1.69 -0.58 -0.82 4.23 3.04 -1.98 2.07 116.94 124.59 1uwo h PHE 70 Ca -0.44 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.47 1uwo h PHE 70 Cb 1.26 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.92 1uwo h PHE 70 CO 0.93 -0.26 0.41 -0.56 -2.02 0.00 0.00 178.31 176.80 1uwo h GLN 71 N -0.86 1.17 0.00 1.11 3.07 -1.99 0.70 115.11 118.32 1uwo h GLN 71 Ca -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1uwo h GLN 71 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1uwo h GLN 71 CO 0.10 0.89 0.00 -1.91 0.09 0.00 0.00 178.83 178.01 1uwo n GLU 72 N -4.32 0.02 -0.01 0.06 2.13 -1.15 -2.64 120.64 114.74 1uwo n GLU 72 Ca 0.08 0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.83 1uwo n GLU 72 Cb 0.13 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.21 1uwo n GLU 72 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1uwo h PHE 73 N 0.00 -0.06 -0.21 4.31 3.57 0.58 0.51 116.94 125.64 1uwo h PHE 73 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1uwo h PHE 73 Cb 0.49 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1uwo h PHE 73 CO 0.00 0.55 0.05 1.98 -2.23 0.00 0.00 178.31 178.66 1uwo h MET 74 N -0.75 0.34 0.00 1.11 4.05 -1.50 -1.79 114.93 116.40 1uwo h MET 74 Ca -0.01 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1uwo h MET 74 Cb 0.64 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1uwo h MET 74 CO 0.01 0.47 -0.03 0.00 0.23 0.00 0.00 176.91 177.59 1uwo h ALA 75 N 0.86 1.02 -0.12 0.39 0.00 -1.57 -0.96 119.26 118.88 1uwo h ALA 75 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uwo h ALA 75 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1uwo h ALA 75 CO 0.00 0.04 0.00 0.34 0.00 0.00 0.00 179.25 179.63 1uwo n PHE 76 N -3.16 0.00 0.23 0.00 7.35 0.18 -1.32 117.46 120.74 1uwo n PHE 76 Ca -0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1uwo n PHE 76 Cb 0.27 -0.48 0.61 0.00 0.35 0.00 0.00 39.48 40.24 1uwo n PHE 76 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1uwo h VAL 77 N 0.00 1.02 -0.79 -2.13 2.07 -1.51 -1.30 116.25 113.60 1uwo h VAL 77 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1uwo h VAL 77 Cb 0.00 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1uwo h VAL 77 CO 0.00 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.12 1uwo h ALA 78 N 1.97 1.01 0.06 1.67 0.00 -1.16 0.37 119.26 123.18 1uwo h ALA 78 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uwo h ALA 78 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1uwo h ALA 78 CO -0.00 0.44 -0.03 0.52 0.00 0.00 0.00 179.25 180.18 1uwo h MET 79 N 1.08 -0.08 0.00 0.00 2.86 -0.01 -0.93 114.93 117.85 1uwo h MET 79 Ca 0.29 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1uwo h MET 79 Cb -0.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1uwo h MET 79 CO -0.06 0.10 0.00 0.28 1.06 0.00 0.00 176.91 178.29 1uwo n VAL 80 N -5.05 1.40 -0.07 -2.22 0.31 -0.99 0.31 118.33 112.02 1uwo n VAL 80 Ca -0.08 0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 1uwo n VAL 80 Cb 0.13 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 1uwo n VAL 80 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1uwo h THR 81 N 0.00 0.27 0.03 2.52 2.02 0.37 -3.34 112.91 114.77 1uwo h THR 81 Ca 0.00 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 65.82 1uwo h THR 81 Cb 0.13 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1uwo h THR 81 CO 0.00 0.09 -0.40 0.00 0.37 0.00 0.00 175.52 175.58 1uwo h THR 82 N -1.00 1.57 -0.97 3.16 1.03 -1.17 -3.33 112.91 112.20 1uwo h THR 82 Ca -0.05 -2.35 0.35 0.00 -0.01 0.00 0.00 66.41 64.34 1uwo h THR 82 Cb 0.54 3.14 -0.18 0.00 -1.07 0.00 0.00 68.15 70.58 1uwo h THR 82 CO -0.03 0.58 0.32 0.00 -0.01 0.00 0.00 175.52 176.38 1uwo n ALA 83 N -2.77 0.80 0.01 0.00 0.00 0.15 0.70 120.51 119.40 1uwo n ALA 83 Ca -0.15 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.20 1uwo n ALA 83 Cb 0.59 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo n HIS 85 N -5.25 0.00 0.07 0.00 8.25 0.22 -2.86 115.22 115.64 1uwo n HIS 85 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.31 1uwo n HIS 85 Cb 0.17 -0.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1uwo n HIS 85 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1uwo h GLU 86 N 0.00 0.36 -1.46 -0.41 5.08 0.15 -3.12 114.58 115.17 1uwo h GLU 86 Ca 0.00 -0.35 0.42 0.00 -1.00 0.00 0.00 59.36 58.43 1uwo h GLU 86 Cb 0.35 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1uwo h GLU 86 CO 0.00 1.02 1.13 0.35 -1.00 0.00 0.00 179.01 180.51 1uwo h PHE 87 N 0.22 0.00 0.07 4.33 3.57 -1.31 0.76 116.94 124.58 1uwo h PHE 87 Ca -0.05 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.11 1uwo h PHE 87 Cb 1.46 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 1uwo h PHE 87 CO 0.05 0.00 -1.86 0.34 -2.23 0.00 0.00 178.31 174.61 1uwo n PHE 88 N -3.90 1.16 -1.11 0.41 7.35 -1.18 -4.93 117.46 115.26 1uwo n PHE 88 Ca 0.32 0.32 -0.37 0.00 -0.76 0.00 0.00 57.45 56.96 1uwo n PHE 88 Cb 1.59 -1.18 0.05 0.00 0.35 0.00 0.00 39.48 40.29 1uwo n PHE 88 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1uwo n GLU 89 N -3.28 0.04 -0.31 -4.13 -0.00 0.27 -4.99 120.64 108.23 1uwo n GLU 89 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 1uwo n GLU 89 Cb 1.05 -1.28 0.00 0.00 -0.00 0.00 0.00 31.44 31.21 1uwo n GLU 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1uwo n HIS 90 N -2.32 -0.02 1.86 -1.84 -0.00 -1.26 -5.03 115.22 106.61 1uwo n HIS 90 Ca 0.04 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.38 1uwo n HIS 90 Cb 0.52 0.00 0.83 0.00 -0.12 0.00 0.00 29.99 31.22 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89