#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d55 s SER 2 N 0.00 7.52 0.23 7.83 1.04 -1.26 -4.61 113.70 124.44 3d55 s SER 2 Ca 0.00 1.80 0.09 0.00 0.48 0.00 0.00 55.95 58.32 3d55 s SER 2 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3d55 s SER 2 CO 0.00 0.17 -0.03 0.27 0.98 0.00 0.00 173.24 174.64 3d55 s ILE 3 N -1.18 3.41 0.60 -1.02 -4.36 -0.77 -4.94 121.20 112.94 3d55 s ILE 3 Ca 0.39 -1.79 -0.17 0.00 -0.26 0.00 0.00 60.65 58.81 3d55 s ILE 3 Cb -0.24 -2.78 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 3d55 s ILE 3 CO 0.29 -0.28 1.11 -0.94 0.24 0.00 0.00 174.94 175.37 3d55 s SER 4 N -3.37 5.45 0.36 4.36 1.04 -1.26 -0.61 113.70 119.67 3d55 s SER 4 Ca 0.29 2.07 0.07 0.00 0.48 0.00 0.00 55.95 58.87 3d55 s SER 4 Cb -0.07 -2.56 0.78 0.00 0.10 0.00 0.00 66.02 64.26 3d55 s SER 4 CO 0.18 -1.40 1.93 0.00 0.98 0.00 0.00 173.24 174.93 3d55 h ALA 5 N 0.61 1.77 -0.82 5.32 0.00 -0.10 0.58 119.26 126.62 3d55 h ALA 5 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3d55 h ALA 5 Cb 1.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3d55 h ALA 5 CO 0.56 0.08 0.53 1.03 0.00 0.00 0.00 179.25 181.44 3d55 h SER 6 N 0.72 0.95 0.35 0.00 0.87 -1.91 0.39 113.55 114.92 3d55 h SER 6 Ca 0.35 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3d55 h SER 6 Cb 0.42 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3d55 h SER 6 CO -0.13 0.70 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.62 3d55 h GLU 7 N 1.11 -0.46 -0.87 2.24 4.81 -1.72 -3.18 114.58 116.51 3d55 h GLU 7 Ca 0.30 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.76 3d55 h GLU 7 Cb -0.10 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.26 3d55 h GLU 7 CO -0.06 -0.21 0.37 0.00 -0.73 0.00 0.00 179.01 178.38 3d55 h ALA 8 N -0.06 1.35 -0.75 2.92 0.00 0.83 0.45 119.26 124.01 3d55 h ALA 8 Ca -0.05 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3d55 h ALA 8 Cb 0.46 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3d55 h ALA 8 CO 0.08 -0.31 0.31 -0.09 0.00 0.00 0.00 179.25 179.24 3d55 h ARG 9 N 0.41 0.45 -0.03 0.00 9.65 -0.29 -1.84 114.38 122.73 3d55 h ARG 9 Ca 0.53 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.38 3d55 h ARG 9 Cb 0.96 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.44 3d55 h ARG 9 CO -0.51 0.30 0.01 1.96 2.80 0.00 0.00 179.97 184.53 3d55 h GLN 10 N 0.46 0.04 -1.28 0.20 1.08 -0.89 -3.28 115.11 111.45 3d55 h GLN 10 Ca 0.40 -0.01 -0.63 0.00 -1.45 0.00 0.00 58.65 56.96 3d55 h GLN 10 Cb 0.59 -0.01 -0.37 0.00 -0.05 0.00 0.00 27.48 27.65 3d55 h GLN 10 CO -0.38 0.23 -0.05 0.54 -0.95 0.00 0.00 178.83 178.21 3d55 n ARG 11 N -4.97 3.19 -0.25 1.46 1.74 -1.05 -4.74 116.66 112.05 3d55 n ARG 11 Ca -0.07 -3.95 -0.08 0.00 -0.77 0.00 0.00 57.85 52.98 3d55 n ARG 11 Cb 0.12 -2.27 0.04 0.00 -1.02 0.00 0.00 32.46 29.33 3d55 n ARG 11 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3d55 h LEU 12 N 2.42 1.04 0.10 0.55 5.85 -1.40 0.06 115.31 123.94 3d55 h LEU 12 Ca 0.44 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3d55 h LEU 12 Cb 0.90 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3d55 h LEU 12 CO 1.10 1.01 -0.05 -0.26 -0.34 0.00 0.00 178.44 179.90 3d55 h PHE 13 N 1.03 -0.12 0.00 1.25 -1.00 -1.87 -1.33 116.94 114.89 3d55 h PHE 13 Ca 0.21 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.93 3d55 h PHE 13 Cb 0.37 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 3d55 h PHE 13 CO 0.03 0.06 -0.32 -1.00 -1.61 0.00 0.00 178.31 175.47 3d55 h PRO 14 N -0.28 0.00 -0.57 1.51 0.13 -1.93 -2.54 132.00 128.31 3d55 h PRO 14 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 3d55 h PRO 14 Cb 0.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 3d55 h PRO 14 CO 0.02 0.32 -0.03 1.25 -0.23 0.00 0.00 178.00 179.33 3d55 h LEU 15 N 0.00 1.00 -0.66 1.56 5.85 -0.70 0.50 115.31 122.86 3d55 h LEU 15 Ca -0.00 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 3d55 h LEU 15 Cb 0.70 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3d55 h LEU 15 CO 0.04 1.07 -0.11 0.40 -0.34 0.00 0.00 178.44 179.50 3d55 h ILE 16 N 0.93 1.26 -0.10 4.05 2.04 -1.02 -1.54 117.51 123.13 3d55 h ILE 16 Ca 0.16 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3d55 h ILE 16 Cb 0.58 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3d55 h ILE 16 CO 0.03 0.43 -0.01 -0.08 0.00 0.00 0.00 178.15 178.52 3d55 h GLU 17 N 0.83 0.18 -0.17 2.37 4.81 -1.15 -2.97 114.58 118.49 3d55 h GLU 17 Ca 0.13 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3d55 h GLU 17 Cb 0.64 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 3d55 h GLU 17 CO 0.04 0.46 -0.37 0.37 -0.73 0.00 0.00 179.01 178.79 3d55 h GLN 18 N -0.12 -0.41 -0.95 1.92 4.15 0.33 -1.86 115.11 118.16 3d55 h GLN 18 Ca 0.03 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.63 3d55 h GLN 18 Cb 0.39 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 3d55 h GLN 18 CO 0.01 -0.27 0.56 -0.24 -1.93 0.00 0.00 178.83 176.95 3d55 h VAL 19 N -0.42 0.76 0.00 2.39 3.04 -1.29 0.37 116.25 121.09 3d55 h VAL 19 Ca 0.10 -0.26 -0.11 0.00 -1.01 0.00 0.00 66.70 65.41 3d55 h VAL 19 Cb 0.59 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.77 3d55 h VAL 19 CO -0.40 0.14 -0.53 0.78 -1.01 0.00 0.00 177.57 176.55 3d55 h ASN 20 N 0.77 0.00 0.00 3.17 2.35 -1.39 -1.11 115.58 119.38 3d55 h ASN 20 Ca 0.52 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.24 3d55 h ASN 20 Cb 0.72 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3d55 h ASN 20 CO -0.35 0.53 -0.36 0.74 -1.65 0.00 0.00 177.43 176.34 3d55 h THR 21 N 0.00 0.44 0.00 2.81 2.02 -0.28 -3.37 112.91 114.53 3d55 h THR 21 Ca -0.01 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.77 3d55 h THR 21 Cb 1.23 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3d55 h THR 21 CO 0.07 0.15 0.00 0.47 0.37 0.00 0.00 175.52 176.58 3d55 n ASP 22 N -4.65 0.65 -4.42 4.18 9.92 0.11 -4.92 116.55 117.42 3d55 n ASP 22 Ca -0.09 0.68 -0.40 0.00 -0.53 0.00 0.00 54.79 54.45 3d55 n ASP 22 Cb 0.27 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 39.88 3d55 n ASP 22 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3d55 n HIS 23 N -2.25 -1.38 -5.09 1.24 8.25 -0.42 -4.95 115.22 110.62 3d55 n HIS 23 Ca 0.01 0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 57.92 3d55 n HIS 23 Cb 0.19 -2.26 -0.16 0.00 1.12 0.00 0.00 29.99 28.89 3d55 n HIS 23 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3d55 s GLN 24 N -7.13 1.95 0.59 -0.41 -0.21 -1.20 -5.06 119.66 108.19 3d55 s GLN 24 Ca 0.81 -0.78 -0.14 0.00 0.02 0.00 0.00 55.36 55.26 3d55 s GLN 24 Cb -0.46 -1.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 3d55 s GLN 24 CO 0.99 0.42 1.02 -2.14 -2.12 0.00 0.00 175.29 173.46 3d55 s PRO 25 N -0.34 3.58 -0.16 2.91 0.02 -1.26 -4.52 135.00 135.22 3d55 s PRO 25 Ca 0.04 0.95 -0.03 0.00 0.02 0.00 0.00 61.00 61.98 3d55 s PRO 25 Cb -0.10 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3d55 s PRO 25 CO 0.01 -0.58 -0.07 0.08 -0.33 0.00 0.00 177.00 176.11 3d55 s VAL 26 N -2.81 3.53 -0.14 3.83 1.01 -0.05 -4.96 120.40 120.80 3d55 s VAL 26 Ca 0.59 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3d55 s VAL 26 Cb -0.12 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3d55 s VAL 26 CO 0.42 0.49 0.81 -0.60 0.00 0.00 0.00 175.10 176.22 3d55 s ARG 27 N 0.60 4.33 -0.23 2.72 3.52 -1.26 -0.25 118.95 128.38 3d55 s ARG 27 Ca -0.04 1.01 -0.06 0.00 -0.13 0.00 0.00 55.73 56.51 3d55 s ARG 27 Cb -0.15 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 3d55 s ARG 27 CO 0.03 -0.25 0.01 0.42 -0.81 0.00 0.00 175.30 174.70 3d55 s ILE 28 N 1.86 3.88 0.02 4.11 1.01 -0.59 -1.84 121.20 129.64 3d55 s ILE 28 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3d55 s ILE 28 Cb -0.17 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3d55 s ILE 28 CO 0.14 0.39 0.10 0.42 0.00 0.00 0.00 174.94 175.99 3d55 s THR 29 N 1.44 4.80 0.15 2.92 -4.23 0.22 -2.07 115.64 118.86 3d55 s THR 29 Ca 0.05 -0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 3d55 s THR 29 Cb -0.15 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.53 3d55 s THR 29 CO 0.01 0.28 0.67 -0.94 -0.54 0.00 0.00 174.62 174.10 3d55 s SER 30 N -1.96 -0.49 0.50 3.99 1.04 -1.15 0.67 113.70 116.30 3d55 s SER 30 Ca 0.26 -0.08 0.27 0.00 0.48 0.00 0.00 55.95 56.87 3d55 s SER 30 Cb -0.12 0.58 1.31 0.00 0.10 0.00 0.00 66.02 67.89 3d55 s SER 30 CO 0.17 -0.96 2.00 0.03 0.98 0.00 0.00 173.24 175.46 3d55 h ARG 31 N 2.00 0.00 0.00 4.02 3.08 -2.02 -1.84 114.38 119.62 3d55 h ARG 31 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3d55 h ARG 31 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3d55 h ARG 31 CO 0.35 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 3d55 n ALA 32 N -2.25 2.40 0.00 0.04 0.00 -1.26 -5.03 120.51 114.41 3d55 n ALA 32 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3d55 n ALA 32 Cb 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3d55 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d55 n GLY 33 N 0.44 -3.18 3.68 0.00 0.00 -0.69 -5.05 105.19 100.39 3d55 n GLY 33 Ca 0.05 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3d55 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d55 s ASP 34 N -1.75 5.01 0.11 1.61 1.01 -1.26 -2.94 116.67 118.46 3d55 s ASP 34 Ca 0.00 -0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 3d55 s ASP 34 Cb 0.00 -1.20 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 3d55 s ASP 34 CO 0.00 0.18 0.07 0.00 0.21 0.00 0.00 175.17 175.64 3d55 s ALA 35 N -1.29 0.62 -0.05 5.23 0.00 -0.88 -5.03 121.76 120.35 3d55 s ALA 35 Ca 0.25 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3d55 s ALA 35 Cb -0.12 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3d55 s ALA 35 CO 0.18 -0.48 -0.13 0.08 0.00 0.00 0.00 175.76 175.40 3d55 s VAL 36 N -4.00 1.13 -0.19 0.00 1.01 -1.26 -1.55 120.40 115.54 3d55 s VAL 36 Ca 0.18 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3d55 s VAL 36 Cb 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3d55 s VAL 36 CO -0.02 0.34 0.06 -0.22 0.00 0.00 0.00 175.10 175.26 3d55 s LEU 37 N 0.35 3.71 0.02 3.92 2.96 0.65 -4.96 118.68 125.33 3d55 s LEU 37 Ca -0.08 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3d55 s LEU 37 Cb -0.13 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3d55 s LEU 37 CO 0.02 0.14 -0.03 0.00 -1.32 0.00 0.00 176.35 175.17 3d55 s MET 38 N 0.56 0.30 0.07 1.98 0.23 -1.26 -0.87 119.30 120.31 3d55 s MET 38 Ca 0.03 -0.58 -0.30 0.00 -1.03 0.00 0.00 55.69 53.80 3d55 s MET 38 Cb -0.13 0.11 -0.16 0.00 -1.53 0.00 0.00 34.83 33.11 3d55 s MET 38 CO 0.01 -0.05 0.73 0.45 -2.03 0.00 0.00 175.02 174.14 3d55 n SER 39 N 1.66 -0.45 -0.03 -1.18 2.88 -1.26 -4.85 113.62 110.39 3d55 n SER 39 Ca -0.23 0.99 -0.14 0.00 -1.33 0.00 0.00 58.87 58.16 3d55 n SER 39 Cb 0.55 -0.81 -0.09 0.00 -0.75 0.00 0.00 64.21 63.12 3d55 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d55 h ALA 40 N 1.89 0.10 -0.69 -1.46 0.00 -1.97 -2.11 119.26 115.02 3d55 h ALA 40 Ca -0.36 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.35 3d55 h ALA 40 Cb 1.24 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 3d55 h ALA 40 CO 0.53 -0.02 -0.22 -0.44 0.00 0.00 0.00 179.25 179.10 3d55 h ASP 41 N -0.29 -0.79 0.42 0.00 3.32 -1.99 -1.11 116.42 115.98 3d55 h ASP 41 Ca 0.00 0.22 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3d55 h ASP 41 Cb 0.69 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3d55 h ASP 41 CO 0.03 -0.25 -0.54 0.44 -1.72 0.00 0.00 179.24 177.19 3d55 h ASP 42 N -0.04 0.14 0.01 6.45 3.32 -1.92 -1.35 116.42 123.04 3d55 h ASP 42 Ca 0.32 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3d55 h ASP 42 Cb 0.53 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3d55 h ASP 42 CO -0.73 0.66 -0.00 0.22 -1.72 0.00 0.00 179.24 177.67 3d55 h TYR 43 N 0.10 -0.01 -0.51 4.55 3.20 -1.05 -2.66 116.97 120.59 3d55 h TYR 43 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3d55 h TYR 43 Cb 0.99 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 3d55 h TYR 43 CO 0.01 0.01 0.22 -0.44 -1.64 0.00 0.00 178.16 176.31 3d55 h ASP 44 N -0.02 0.26 -0.78 -2.11 3.32 -1.02 -0.28 116.42 115.80 3d55 h ASP 44 Ca -0.00 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.17 3d55 h ASP 44 Cb 0.02 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 3d55 h ASP 44 CO 0.00 0.18 0.45 0.00 -1.72 0.00 0.00 179.24 178.15 3d55 h ALA 45 N 1.32 1.08 0.18 3.45 0.00 -1.24 -0.62 119.26 123.43 3d55 h ALA 45 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3d55 h ALA 45 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3d55 h ALA 45 CO -0.21 0.12 -0.09 2.35 0.00 0.00 0.00 179.25 181.42 3d55 h TRP 46 N 0.79 -0.22 -0.85 0.00 7.01 -1.05 0.24 115.95 121.87 3d55 h TRP 46 Ca 0.36 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.34 3d55 h TRP 46 Cb 0.26 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 3d55 h TRP 46 CO -0.06 0.06 0.46 1.96 -2.79 0.00 0.00 178.44 178.07 3d55 h GLN 47 N -0.50 1.19 -0.29 2.65 1.08 -0.92 -2.26 115.11 116.06 3d55 h GLN 47 Ca -0.02 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 3d55 h GLN 47 Cb 0.38 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3d55 h GLN 47 CO 0.04 0.88 -0.24 1.49 -0.95 0.00 0.00 178.83 180.05 3d55 h GLU 48 N 1.19 0.67 -0.03 1.46 4.57 -1.05 -2.35 114.58 119.04 3d55 h GLU 48 Ca 0.30 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 3d55 h GLU 48 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3d55 h GLU 48 CO -0.05 0.94 -0.50 1.15 -1.18 0.00 0.00 179.01 179.38 3d55 h THR 49 N 0.41 1.36 -0.22 0.32 2.02 -0.87 -0.78 112.91 115.14 3d55 h THR 49 Ca 0.05 -1.72 -0.20 0.00 0.77 0.00 0.00 66.41 65.30 3d55 h THR 49 Cb 0.80 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3d55 h THR 49 CO 0.06 0.50 -0.66 0.58 0.37 0.00 0.00 175.52 176.37 3d55 h VAL 50 N 0.06 1.27 -0.12 3.16 2.07 -1.29 -2.34 116.25 119.06 3d55 h VAL 50 Ca -0.00 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.70 3d55 h VAL 50 Cb 0.90 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 3d55 h VAL 50 CO 0.07 0.59 -0.48 0.22 0.02 0.00 0.00 177.57 178.00 3d55 h TYR 51 N 0.60 -1.42 -1.13 1.57 3.20 -1.09 -2.05 116.97 116.65 3d55 h TYR 51 Ca -0.02 0.05 0.32 0.00 3.14 0.00 0.00 58.73 62.22 3d55 h TYR 51 Cb 1.28 0.63 -0.06 0.00 1.54 0.00 0.00 36.73 40.12 3d55 h TYR 51 CO 0.08 -0.48 0.79 -0.07 -1.64 0.00 0.00 178.16 176.84 3d55 h LEU 52 N -0.51 0.12 -0.12 2.82 3.38 -1.17 -2.82 115.31 117.01 3d55 h LEU 52 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d55 h LEU 52 Cb 0.60 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3d55 h LEU 52 CO -0.38 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.35 3d55 n LEU 53 N -4.31 0.33 -0.33 1.67 4.77 -0.77 -3.09 117.00 115.26 3d55 n LEU 53 Ca 0.25 0.55 0.22 0.00 -0.03 0.00 0.00 56.01 57.00 3d55 n LEU 53 Cb 1.13 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 42.20 3d55 n LEU 53 CO 0.36 -0.20 1.11 0.08 -1.33 0.00 0.00 177.39 177.41 3d55 h ARG 54 N 0.00 0.36 -5.21 3.23 0.11 -1.51 -3.40 114.38 107.96 3d55 h ARG 54 Ca 0.00 -0.02 -0.61 0.00 0.10 0.00 0.00 59.98 59.45 3d55 h ARG 54 Cb 0.48 -0.08 -0.13 0.00 1.11 0.00 0.00 29.97 31.35 3d55 h ARG 54 CO 0.00 0.24 -0.42 0.45 0.10 0.00 0.00 179.97 180.34 3d55 s SER 55 N -4.98 6.22 0.34 0.08 0.15 -1.18 -4.99 113.70 109.34 3d55 s SER 55 Ca -0.10 0.24 0.14 0.00 0.70 0.00 0.00 55.95 56.93 3d55 s SER 55 Cb 0.29 -2.14 0.61 0.00 -1.71 0.00 0.00 66.02 63.07 3d55 s SER 55 CO 0.79 0.04 1.74 1.55 1.20 0.00 0.00 173.24 178.56 3d55 h PRO 56 N 7.36 0.00 -0.64 5.44 0.13 -1.88 -1.86 132.00 140.54 3d55 h PRO 56 Ca -0.38 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 3d55 h PRO 56 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 3d55 h PRO 56 CO 0.69 0.45 0.32 1.49 -0.23 0.00 0.00 178.00 180.72 3d55 h GLU 57 N 0.00 0.55 -0.02 0.86 4.81 -1.94 -0.59 114.58 118.25 3d55 h GLU 57 Ca -0.00 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 3d55 h GLU 57 Cb 0.86 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3d55 h GLU 57 CO 0.06 0.37 -0.75 -0.91 -0.73 0.00 0.00 179.01 177.04 3d55 h ASN 58 N 0.57 0.20 -0.42 1.04 -0.26 -1.65 -2.02 115.58 113.05 3d55 h ASN 58 Ca 0.30 -0.14 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 3d55 h ASN 58 Cb 0.28 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 3d55 h ASN 58 CO -0.23 0.88 -0.10 0.00 -1.06 0.00 0.00 177.43 176.92 3d55 h ALA 59 N 1.11 0.58 -0.67 -0.83 0.00 -1.23 -2.07 119.26 116.15 3d55 h ALA 59 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3d55 h ALA 59 Cb 1.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3d55 h ALA 59 CO 0.11 0.45 0.44 -0.09 0.00 0.00 0.00 179.25 180.16 3d55 h ARG 60 N 0.63 0.89 0.00 0.00 2.43 -0.72 -1.75 114.38 115.86 3d55 h ARG 60 Ca 0.11 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3d55 h ARG 60 Cb 0.62 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3d55 h ARG 60 CO 0.04 0.59 -0.11 0.00 -1.51 0.00 0.00 179.97 178.98 3d55 h ARG 61 N 0.91 0.00 -0.17 0.20 3.08 -1.02 0.24 114.38 117.62 3d55 h ARG 61 Ca 0.25 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.08 3d55 h ARG 61 Cb -0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.96 3d55 h ARG 61 CO -0.05 0.11 -0.72 -0.07 -1.07 0.00 0.00 179.97 178.17 3d55 h LEU 62 N 0.00 0.93 0.58 3.04 -0.00 -0.68 -3.17 115.31 116.00 3d55 h LEU 62 Ca -0.00 -0.61 -0.03 0.00 -0.00 0.00 0.00 57.88 57.24 3d55 h LEU 62 Cb 0.26 -0.27 0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3d55 h LEU 62 CO 0.01 1.39 -0.28 -0.03 -0.00 0.00 0.00 178.44 179.54 3d55 h MET 63 N 0.53 -0.75 -3.93 1.13 4.05 -0.54 -3.39 114.93 112.03 3d55 h MET 63 Ca -0.04 0.05 -0.76 0.00 -0.28 0.00 0.00 59.70 58.67 3d55 h MET 63 Cb 1.35 0.17 -0.20 0.00 -0.80 0.00 0.00 31.60 32.12 3d55 h MET 63 CO 0.15 -0.46 1.32 0.39 0.23 0.00 0.00 176.91 178.55 3d55 n GLU 64 N -5.31 3.63 0.08 0.39 1.02 0.75 -4.79 120.64 116.41 3d55 n GLU 64 Ca -0.11 -3.96 0.13 0.00 -0.02 0.00 0.00 57.16 53.21 3d55 n GLU 64 Cb 0.33 -2.85 0.45 0.00 -0.02 0.00 0.00 31.44 29.35 3d55 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d55 n ALA 65 N 4.02 2.25 -1.99 0.62 0.00 -1.20 -4.63 120.51 119.58 3d55 n ALA 65 Ca 0.34 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 3d55 n ALA 65 Cb 0.39 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.50 3d55 n ALA 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3d55 s VAL 66 N -3.09 2.04 0.00 0.00 1.01 -1.26 -5.11 120.40 113.99 3d55 s VAL 66 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3d55 s VAL 66 Cb 0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3d55 s VAL 66 CO 0.57 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 174.47 3d55 n SER 74 N -2.97 0.00 -0.21 3.32 7.64 -1.26 -5.28 113.62 114.86 3d55 n SER 74 Ca 0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 3d55 n SER 74 Cb 0.61 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 3d55 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d55 h ALA 75 N 0.00 0.79 0.28 -0.43 0.00 -2.05 0.25 119.26 118.09 3d55 h ALA 75 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3d55 h ALA 75 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3d55 h ALA 75 CO 0.00 0.14 -0.30 0.35 0.00 0.00 0.00 179.25 179.44 3d55 h PHE 76 N 0.77 -0.83 -0.64 0.00 3.57 -2.06 -1.73 116.94 116.00 3d55 h PHE 76 Ca 0.24 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 3d55 h PHE 76 Cb -0.01 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3d55 h PHE 76 CO -0.05 -0.39 0.43 1.15 -2.23 0.00 0.00 178.31 177.22 3d55 h THR 77 N -0.58 0.96 -0.18 4.41 2.02 -2.01 0.44 112.91 117.97 3d55 h THR 77 Ca -0.03 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.00 3d55 h THR 77 Cb 0.51 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 3d55 h THR 77 CO -0.05 0.10 -0.33 0.50 0.37 0.00 0.00 175.52 176.11 3d55 h LYS 78 N 0.57 -0.37 0.00 6.66 1.63 -0.34 -2.83 116.57 121.90 3d55 h LYS 78 Ca 0.29 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.08 3d55 h LYS 78 Cb 0.39 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3d55 h LYS 78 CO -0.09 -0.24 -0.17 0.66 -3.45 0.00 0.00 179.45 176.15 3d55 h SER 79 N -0.38 0.00 0.45 4.20 4.64 0.81 -0.48 113.55 122.79 3d55 h SER 79 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3d55 h SER 79 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3d55 h SER 79 CO -0.39 0.17 -0.27 0.58 -0.87 0.00 0.00 176.83 176.06 3d55 h VAL 80 N 0.00 0.45 -0.66 0.95 2.07 -1.30 0.15 116.25 117.91 3d55 h VAL 80 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3d55 h VAL 80 Cb 0.68 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 3d55 h VAL 80 CO 0.02 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.18 3d55 h ASP 81 N -0.68 -0.03 0.09 0.57 3.32 -1.16 0.25 116.42 118.77 3d55 h ASP 81 Ca -0.05 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3d55 h ASP 81 Cb 0.56 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3d55 h ASP 81 CO 0.06 -0.03 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.12 3d55 h GLU 82 N 0.24 -0.23 -0.23 3.56 5.08 -0.93 -2.64 114.58 119.44 3d55 h GLU 82 Ca 0.36 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 3d55 h GLU 82 Cb 0.57 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3d55 h GLU 82 CO -0.46 -0.15 0.07 1.25 -1.00 0.00 0.00 179.01 178.71 3d55 h LEU 83 N -0.23 0.33 -0.91 1.33 5.85 0.22 -0.39 115.31 121.50 3d55 h LEU 83 Ca 0.01 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3d55 h LEU 83 Cb 0.23 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.06 3d55 h LEU 83 CO -0.04 0.45 -0.56 -0.09 -0.34 0.00 0.00 178.44 177.86 3d55 h ARG 84 N 0.19 -0.06 0.31 1.25 2.43 -0.59 1.20 114.38 119.12 3d55 h ARG 84 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3d55 h ARG 84 Cb 0.24 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3d55 h ARG 84 CO -0.00 -0.04 -0.21 1.49 -1.51 0.00 0.00 179.97 179.70 3d55 h GLU 85 N -0.06 -0.49 -0.80 0.20 4.81 -1.19 0.19 114.58 117.24 3d55 h GLU 85 Ca 0.17 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.59 3d55 h GLU 85 Cb 0.46 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 3d55 h GLU 85 CO -0.89 -0.33 0.34 0.52 -0.73 0.00 0.00 179.01 177.92 3d55 h MET 86 N -0.51 0.45 0.00 1.92 2.86 -0.85 0.60 114.93 119.39 3d55 h MET 86 Ca -0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3d55 h MET 86 Cb 0.43 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3d55 h MET 86 CO 0.02 0.30 -0.04 0.00 1.06 0.00 0.00 176.91 178.24 3d55 h ALA 87 N 1.59 0.98 0.00 6.32 0.00 0.27 -3.34 119.26 125.08 3d55 h ALA 87 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3d55 h ALA 87 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3d55 h ALA 87 CO -0.43 0.05 -0.50 0.41 0.00 0.00 0.00 179.25 178.79 3d55 n GLY 88 N 0.84 0.27 0.00 0.00 0.00 0.56 -5.06 105.19 101.80 3d55 n GLY 88 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3d55 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93