#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aud h VAL 2 N 0.00 1.45 -4.05 0.00 2.07 -2.09 -3.45 116.25 110.18 1aud h VAL 2 Ca 0.00 -1.76 -0.45 0.00 0.82 0.00 0.00 66.70 65.32 1aud h VAL 2 Cb 0.00 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1aud h VAL 2 CO 0.00 0.50 0.35 -2.16 0.02 0.00 0.00 177.57 176.28 1aud s PRO 3 N -3.55 4.17 1.05 1.57 0.04 -1.26 -5.05 135.00 131.97 1aud s PRO 3 Ca -0.15 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1aud s PRO 3 Cb 0.03 -2.20 0.22 0.00 0.04 0.00 0.00 34.50 32.59 1aud s PRO 3 CO 0.76 -0.09 1.12 -1.83 0.04 0.00 0.00 177.00 177.00 1aud s GLU 4 N -3.13 -0.03 -0.43 4.56 -1.05 -1.26 -5.04 118.70 112.32 1aud s GLU 4 Ca 0.62 0.24 0.06 0.00 -0.15 0.00 0.00 54.97 55.74 1aud s GLU 4 Cb -0.11 -1.71 0.20 0.00 -0.44 0.00 0.00 34.13 32.07 1aud s GLU 4 CO 0.15 -2.98 0.50 0.25 0.95 0.00 0.00 175.26 174.13 1aud n THR 5 N -4.30 -0.78 -4.06 1.83 -2.24 -1.26 -4.92 114.28 98.55 1aud n THR 5 Ca 0.08 -2.91 -0.27 0.00 -2.27 0.00 0.00 64.05 58.69 1aud n THR 5 Cb 0.58 -0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1aud n THR 5 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aud s ARG 6 N 0.02 2.97 0.19 -0.78 0.52 -1.26 -5.09 118.95 115.53 1aud s ARG 6 Ca 0.33 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1aud s ARG 6 Cb 0.07 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 32.77 1aud s ARG 6 CO -0.16 0.50 1.02 -1.25 0.02 0.00 0.00 175.30 175.44 1aud s PRO 7 N -3.03 4.70 0.24 3.54 0.04 -1.26 -4.73 135.00 134.49 1aud s PRO 7 Ca 0.31 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 1aud s PRO 7 Cb -0.10 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1aud s PRO 7 CO 0.24 0.25 0.36 -0.80 0.04 0.00 0.00 177.00 177.08 1aud s ASN 8 N -0.48 0.08 -0.17 6.66 -0.87 -1.26 -5.04 114.94 113.86 1aud s ASN 8 Ca 0.46 -1.14 -0.04 0.00 -1.57 0.00 0.00 52.86 50.57 1aud s ASN 8 Cb -0.27 0.52 -0.23 0.00 -0.02 0.00 0.00 41.25 41.25 1aud s ASN 8 CO 0.34 -1.05 0.14 1.57 -2.57 0.00 0.00 177.10 175.52 1aud n HIS 9 N -0.36 0.78 -3.65 2.20 -0.00 -1.26 -4.76 115.22 108.17 1aud n HIS 9 Ca -0.00 0.17 -0.37 0.00 0.46 0.00 0.00 57.72 57.98 1aud n HIS 9 Cb 0.63 -1.10 -0.10 0.00 -0.12 0.00 0.00 29.99 29.31 1aud n HIS 9 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1aud s THR 10 N -2.54 5.35 0.55 3.57 2.01 -1.26 -3.55 115.64 119.77 1aud s THR 10 Ca -0.27 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1aud s THR 10 Cb 0.08 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1aud s THR 10 CO 0.70 0.34 0.84 0.27 -0.69 0.00 0.00 174.62 176.08 1aud s ILE 11 N 1.10 3.81 -0.03 1.82 -4.36 -0.86 -2.03 121.20 120.64 1aud s ILE 11 Ca 0.08 -0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.38 1aud s ILE 11 Cb -0.14 -3.48 0.01 0.00 1.25 0.00 0.00 42.46 40.10 1aud s ILE 11 CO 0.05 -0.46 -0.09 -0.47 0.24 0.00 0.00 174.94 174.22 1aud s TYR 12 N -2.87 1.00 0.10 1.37 5.04 -0.97 -2.68 117.35 118.34 1aud s TYR 12 Ca 0.52 -0.28 0.10 0.00 -2.44 0.00 0.00 57.07 54.97 1aud s TYR 12 Cb -0.10 -0.74 -0.04 0.00 0.35 0.00 0.00 41.96 41.43 1aud s TYR 12 CO 0.43 -0.14 -0.26 0.42 -1.34 0.00 0.00 175.55 174.66 1aud s ILE 13 N 0.38 2.18 0.18 3.14 1.01 -1.08 -2.63 121.20 124.38 1aud s ILE 13 Ca -0.06 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.02 1aud s ILE 13 Cb -0.11 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1aud s ILE 13 CO 0.01 0.19 0.15 -0.46 0.00 0.00 0.00 174.94 174.83 1aud n ASN 14 N 1.26 -0.39 -3.31 3.58 6.94 -1.26 -2.36 115.26 119.72 1aud n ASN 14 Ca -0.18 -2.15 -0.20 0.00 -0.02 0.00 0.00 54.58 52.03 1aud n ASN 14 Cb 0.53 0.90 0.08 0.00 -2.36 0.00 0.00 39.78 38.93 1aud n ASN 14 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1aud n ASN 15 N -2.29 -4.65 -4.79 0.53 5.15 -1.01 -4.65 115.26 103.54 1aud n ASN 15 Ca 0.04 -0.52 -0.21 0.00 -0.60 0.00 0.00 54.58 53.28 1aud n ASN 15 Cb 0.32 -4.71 0.09 0.00 -0.53 0.00 0.00 39.78 34.96 1aud n ASN 15 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1aud n LEU 16 N -4.39 0.00 -4.83 1.20 4.32 -1.01 -4.83 117.00 107.47 1aud n LEU 16 Ca -0.09 -2.35 -0.33 0.00 -0.02 0.00 0.00 56.01 53.23 1aud n LEU 16 Cb 0.59 -0.54 -0.05 0.00 -1.62 0.00 0.00 43.42 41.80 1aud n LEU 16 CO 0.59 -0.85 0.66 0.20 -1.22 0.00 0.00 177.39 176.76 1aud s ASN 17 N -4.88 6.78 -0.61 -1.43 -0.87 -1.26 -4.74 114.94 107.93 1aud s ASN 17 Ca 0.64 1.62 -0.00 0.00 -1.57 0.00 0.00 52.86 53.55 1aud s ASN 17 Cb -0.04 -2.52 0.44 0.00 -0.02 0.00 0.00 41.25 39.11 1aud s ASN 17 CO 0.42 -0.46 1.85 -0.62 -2.57 0.00 0.00 177.10 175.72 1aud n GLU 18 N -1.08 2.89 -2.43 -0.60 1.02 -1.26 -4.46 120.64 114.73 1aud n GLU 18 Ca 0.07 -3.51 -0.02 0.00 -0.02 0.00 0.00 57.16 53.68 1aud n GLU 18 Cb 0.54 -2.29 0.08 0.00 -0.02 0.00 0.00 31.44 29.75 1aud n GLU 18 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1aud n LYS 19 N -0.84 1.21 -4.24 3.49 5.02 -1.26 -5.10 118.16 116.44 1aud n LYS 19 Ca 0.58 -1.88 -0.25 0.00 -2.02 0.00 0.00 58.31 54.74 1aud n LYS 19 Cb 0.68 -0.16 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 1aud n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1aud s ILE 20 N -1.00 3.63 0.70 -0.18 1.01 -1.26 -5.13 121.20 118.96 1aud s ILE 20 Ca 0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.17 1aud s ILE 20 Cb 0.35 -2.87 0.14 0.00 0.01 0.00 0.00 42.46 40.10 1aud s ILE 20 CO -0.09 -0.22 0.95 0.29 0.00 0.00 0.00 174.94 175.88 1aud n LYS 21 N -0.44 -0.19 0.08 2.79 5.02 -1.26 -4.95 118.16 119.22 1aud n LYS 21 Ca -0.09 -2.43 -0.17 0.00 -2.02 0.00 0.00 58.31 53.60 1aud n LYS 21 Cb 0.57 -0.69 -0.14 0.00 -0.02 0.00 0.00 35.03 34.75 1aud n LYS 21 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aud h LYS 22 N 0.00 0.28 0.00 1.97 1.57 -2.00 -2.94 116.57 115.46 1aud h LYS 22 Ca -0.31 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 1aud h LYS 22 Cb 1.12 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1aud h LYS 22 CO 0.32 1.18 0.00 -3.47 -0.57 0.00 0.00 179.45 176.91 1aud n ASP 23 N -3.50 0.37 -0.07 0.86 2.03 -1.26 -2.49 116.55 112.49 1aud n ASP 23 Ca -0.14 0.56 -0.22 0.00 0.52 0.00 0.00 54.79 55.51 1aud n ASP 23 Cb 1.04 -0.65 -0.12 0.00 -0.72 0.00 0.00 41.12 40.67 1aud n ASP 23 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1aud n GLU 24 N -1.88 0.66 0.09 -0.67 2.13 -1.23 -3.39 120.64 116.36 1aud n GLU 24 Ca 0.05 0.33 -0.04 0.00 0.66 0.00 0.00 57.16 58.15 1aud n GLU 24 Cb 0.29 -1.65 0.15 0.00 0.27 0.00 0.00 31.44 30.51 1aud n GLU 24 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1aud h LEU 25 N -0.41 0.24 -0.27 4.31 5.85 -1.58 -2.77 115.31 120.69 1aud h LEU 25 Ca -0.48 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 57.97 1aud h LEU 25 Cb 1.74 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 1aud h LEU 25 CO -0.11 0.75 -0.65 0.50 -0.34 0.00 0.00 178.44 178.58 1aud h LYS 26 N 0.17 0.00 0.00 1.25 3.64 -1.68 -2.81 116.57 117.14 1aud h LYS 26 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1aud h LYS 26 Cb 1.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1aud h LYS 26 CO 0.08 0.65 -0.85 -0.22 -2.27 0.00 0.00 179.45 176.84 1aud h LYS 27 N 0.00 0.07 0.17 1.90 3.11 -1.54 -2.78 116.57 117.49 1aud h LYS 27 Ca -0.01 -0.08 -0.30 0.00 -2.81 0.00 0.00 60.65 57.45 1aud h LYS 27 Cb 1.38 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.65 1aud h LYS 27 CO 0.08 0.88 -1.39 1.03 -2.81 0.00 0.00 179.45 177.24 1aud h SER 28 N 0.04 0.56 -0.28 4.20 0.87 -1.52 -2.95 113.55 114.47 1aud h SER 28 Ca -0.02 -0.64 -0.12 0.00 -1.23 0.00 0.00 61.79 59.78 1aud h SER 28 Cb 1.49 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1aud h SER 28 CO 0.12 1.51 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.56 1aud h LEU 29 N 0.10 0.74 -1.48 2.23 3.38 -1.58 -2.68 115.31 116.02 1aud h LEU 29 Ca -0.20 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.24 1aud h LEU 29 Cb 2.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1aud h LEU 29 CO 0.22 1.06 -0.26 -0.74 0.09 0.00 0.00 178.44 178.82 1aud h HIS 30 N 0.42 0.00 0.07 1.13 2.76 -1.61 -2.52 115.15 115.40 1aud h HIS 30 Ca 0.04 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1aud h HIS 30 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1aud h HIS 30 CO 0.07 0.26 -0.03 0.00 -1.30 0.00 0.00 177.93 176.93 1aud h ALA 31 N 1.74 -0.24 0.06 5.26 0.00 -1.37 -2.50 119.26 122.22 1aud h ALA 31 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1aud h ALA 31 Cb 0.54 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1aud h ALA 31 CO 0.03 -0.23 -0.37 -0.84 0.00 0.00 0.00 179.25 177.85 1aud h ILE 32 N -0.33 0.23 -0.76 0.00 3.07 -1.57 -2.26 117.51 115.88 1aud h ILE 32 Ca -0.01 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.42 1aud h ILE 32 Cb 0.07 0.23 -0.04 0.00 -0.27 0.00 0.00 36.82 36.81 1aud h ILE 32 CO 0.01 0.00 0.50 -0.26 -1.05 0.00 0.00 178.15 177.36 1aud h PHE 33 N -0.56 0.93 -0.35 0.16 0.04 -1.63 -2.24 116.94 113.29 1aud h PHE 33 Ca 0.04 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1aud h PHE 33 Cb 0.62 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1aud h PHE 33 CO -0.36 0.56 0.16 0.66 -0.60 0.00 0.00 178.31 178.74 1aud h SER 34 N 0.98 0.42 -0.98 2.17 4.64 -0.94 -2.58 113.55 117.26 1aud h SER 34 Ca 0.29 -0.03 0.22 0.00 -0.47 0.00 0.00 61.79 61.80 1aud h SER 34 Cb -0.03 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 61.87 1aud h SER 34 CO -0.08 0.37 0.62 0.03 -0.87 0.00 0.00 176.83 176.91 1aud h ARG 35 N 0.48 0.53 0.28 4.77 3.08 -1.03 -2.17 114.38 120.32 1aud h ARG 35 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1aud h ARG 35 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1aud h ARG 35 CO -0.02 0.35 -0.13 0.74 -1.07 0.00 0.00 179.97 179.84 1aud h PHE 36 N 0.54 -0.35 0.00 3.04 -1.00 -1.60 -3.49 116.94 114.09 1aud h PHE 36 Ca 0.55 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.32 1aud h PHE 36 Cb 1.16 0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1aud h PHE 36 CO -0.00 0.01 0.00 0.41 -1.61 0.00 0.00 178.31 177.12 1aud n GLY 37 N 0.02 4.29 3.23 -1.45 0.00 -0.82 -5.10 105.19 105.36 1aud n GLY 37 Ca -0.09 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1aud n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aud s GLN 38 N 3.83 1.82 -0.17 1.61 0.74 -1.26 -4.65 119.66 121.58 1aud s GLN 38 Ca 0.00 -0.76 -0.06 0.00 0.05 0.00 0.00 55.36 54.59 1aud s GLN 38 Cb 0.00 -1.71 -0.04 0.00 1.10 0.00 0.00 33.01 32.36 1aud s GLN 38 CO 0.00 0.43 0.03 0.42 -0.55 0.00 0.00 175.29 175.62 1aud s ILE 39 N -0.42 4.44 0.08 -2.34 1.01 -1.26 -2.65 121.20 120.06 1aud s ILE 39 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 1aud s ILE 39 Cb -0.09 -2.98 -0.23 0.00 0.01 0.00 0.00 42.46 39.17 1aud s ILE 39 CO -0.00 0.47 1.20 -0.07 0.00 0.00 0.00 174.94 176.54 1aud h LEU 40 N 6.75 0.92 -7.06 2.97 4.07 -1.77 -3.48 115.31 117.70 1aud h LEU 40 Ca -0.35 -0.72 0.27 0.00 0.08 0.00 0.00 57.88 57.16 1aud h LEU 40 Cb 1.18 -0.28 -0.17 0.00 1.08 0.00 0.00 40.66 42.47 1aud h LEU 40 CO 0.67 1.53 0.82 -0.62 -1.08 0.00 0.00 178.44 179.75 1aud s ASP 41 N -7.28 -0.11 -0.04 -0.43 2.15 -1.26 -5.07 116.67 104.63 1aud s ASP 41 Ca -0.10 -0.04 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1aud s ASP 41 Cb 0.07 0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.85 1aud s ASP 41 CO 0.92 -0.25 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.97 1aud s ILE 42 N -2.42 0.70 -0.33 4.11 1.01 -1.26 -2.38 121.20 120.63 1aud s ILE 42 Ca 0.11 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1aud s ILE 42 Cb 0.01 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1aud s ILE 42 CO -0.04 0.24 0.19 -0.76 0.00 0.00 0.00 174.94 174.57 1aud s LEU 43 N 0.55 4.32 0.39 2.97 1.02 -0.95 -4.99 118.68 121.99 1aud s LEU 43 Ca -0.08 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1aud s LEU 43 Cb -0.12 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 1aud s LEU 43 CO 0.01 -0.22 0.63 -0.69 0.02 0.00 0.00 176.35 176.10 1aud s VAL 44 N 1.66 5.03 0.09 -1.59 1.01 -1.26 -2.24 120.40 123.10 1aud s VAL 44 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1aud s VAL 44 Cb -0.17 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1aud s VAL 44 CO 0.08 -0.66 -0.13 -0.44 0.00 0.00 0.00 175.10 173.95 1aud s SER 45 N -4.04 1.67 -0.15 3.32 0.01 -1.25 -4.99 113.70 108.26 1aud s SER 45 Ca 0.43 -0.71 0.17 0.00 1.31 0.00 0.00 55.95 57.15 1aud s SER 45 Cb -0.10 -0.04 0.36 0.00 0.21 0.00 0.00 66.02 66.45 1aud s SER 45 CO 0.39 -0.14 1.20 -1.14 0.41 0.00 0.00 173.24 173.96 1aud n ARG 46 N 0.94 0.81 -3.94 12.44 0.63 -1.23 -4.71 116.66 121.61 1aud n ARG 46 Ca -0.19 -2.04 -0.24 0.00 -0.92 0.00 0.00 57.85 54.47 1aud n ARG 46 Cb 0.56 -0.26 -0.05 0.00 0.45 0.00 0.00 32.46 33.16 1aud n ARG 46 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1aud s SER 47 N -2.10 4.63 0.06 6.15 1.04 -1.17 -4.95 113.70 117.36 1aud s SER 47 Ca 0.19 -1.04 -0.33 0.00 0.48 0.00 0.00 55.95 55.25 1aud s SER 47 Cb 0.30 -0.28 -0.19 0.00 0.10 0.00 0.00 66.02 65.95 1aud s SER 47 CO -0.09 -0.70 1.53 0.25 0.98 0.00 0.00 173.24 175.20 1aud h LEU 48 N 1.17 -0.85 -0.89 2.42 6.46 -2.00 -0.88 115.31 120.75 1aud h LEU 48 Ca -0.41 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 1aud h LEU 48 Cb 1.27 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.35 1aud h LEU 48 CO 0.64 -0.57 0.54 0.11 -0.62 0.00 0.00 178.44 178.54 1aud h LYS 49 N -1.06 0.90 -2.26 1.25 1.79 -2.04 -2.70 116.57 112.46 1aud h LYS 49 Ca -0.10 -0.05 -0.75 0.00 -2.18 0.00 0.00 60.65 57.57 1aud h LYS 49 Cb 0.78 -0.20 -0.31 0.00 -1.58 0.00 0.00 32.23 30.91 1aud h LYS 49 CO 0.17 0.60 0.55 -1.33 -1.08 0.00 0.00 179.45 178.35 1aud n MET 50 N -4.65 4.80 -4.14 3.15 2.81 -1.09 -5.00 117.12 113.00 1aud n MET 50 Ca 0.14 -4.72 -0.34 0.00 -1.81 0.00 0.00 57.70 50.97 1aud n MET 50 Cb 0.25 -2.40 -0.10 0.00 -0.71 0.00 0.00 33.22 30.25 1aud n MET 50 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1aud s ARG 51 N -4.09 3.86 -0.44 0.03 3.52 -0.35 -3.01 118.95 118.46 1aud s ARG 51 Ca 0.42 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1aud s ARG 51 Cb 0.22 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1aud s ARG 51 CO -0.13 0.28 0.37 0.41 -0.81 0.00 0.00 175.30 175.42 1aud n GLY 52 N 3.47 0.46 3.30 8.12 0.00 -1.26 -4.83 105.19 114.45 1aud n GLY 52 Ca -0.17 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1aud n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aud s GLN 53 N -5.39 0.66 0.24 1.61 -2.07 -1.26 -2.39 119.66 111.06 1aud s GLN 53 Ca 0.18 0.14 0.02 0.00 -1.82 0.00 0.00 55.36 53.88 1aud s GLN 53 Cb -0.08 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1aud s GLN 53 CO 0.23 -0.16 0.17 0.00 -1.32 0.00 0.00 175.29 174.21 1aud s ALA 54 N -0.77 1.42 -0.01 2.60 0.00 -1.00 -3.80 121.76 120.20 1aud s ALA 54 Ca -0.09 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.08 1aud s ALA 54 Cb -0.04 1.40 -0.00 0.00 0.00 0.00 0.00 23.12 24.48 1aud s ALA 54 CO 0.04 -0.60 -0.08 -0.06 0.00 0.00 0.00 175.76 175.05 1aud s PHE 55 N -3.92 0.76 -0.02 0.00 0.40 -0.95 -2.65 117.98 111.60 1aud s PHE 55 Ca 0.39 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.63 1aud s PHE 55 Cb 0.06 -0.51 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 1aud s PHE 55 CO 0.17 -0.04 -0.21 0.08 0.70 0.00 0.00 175.22 175.93 1aud s VAL 56 N -0.07 1.64 -0.18 -0.44 1.01 -1.09 -2.24 120.40 119.02 1aud s VAL 56 Ca 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1aud s VAL 56 Cb -0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1aud s VAL 56 CO -0.00 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.84 1aud s ILE 57 N -0.39 3.06 0.13 2.22 1.01 -1.00 -2.04 121.20 124.19 1aud s ILE 57 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1aud s ILE 57 Cb -0.09 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1aud s ILE 57 CO -0.00 0.47 0.25 -0.36 0.00 0.00 0.00 174.94 175.31 1aud s PHE 58 N 1.09 3.46 0.22 3.97 0.08 -1.23 -2.33 117.98 123.24 1aud s PHE 58 Ca 0.00 0.13 -0.08 0.00 0.12 0.00 0.00 56.93 57.10 1aud s PHE 58 Cb -0.15 -1.67 0.18 0.00 -0.57 0.00 0.00 43.02 40.81 1aud s PHE 58 CO -0.02 0.53 1.85 -0.22 -0.10 0.00 0.00 175.22 177.26 1aud h LYS 59 N 2.37 1.14 -6.08 0.44 3.64 -1.87 -3.44 116.57 112.78 1aud h LYS 59 Ca -0.48 -0.12 -0.55 0.00 -1.27 0.00 0.00 60.65 58.24 1aud h LYS 59 Cb 1.19 -0.23 -0.20 0.00 -0.41 0.00 0.00 32.23 32.58 1aud h LYS 59 CO 0.70 0.83 -0.80 -2.00 -2.27 0.00 0.00 179.45 175.90 1aud s GLU 60 N -5.90 1.22 0.38 1.90 2.12 -1.26 -5.03 118.70 112.13 1aud s GLU 60 Ca -0.13 -1.31 0.05 0.00 0.36 0.00 0.00 54.97 53.95 1aud s GLU 60 Cb 0.16 -1.39 0.74 0.00 0.26 0.00 0.00 34.13 33.90 1aud s GLU 60 CO 0.81 0.30 1.99 0.28 -0.54 0.00 0.00 175.26 178.10 1aud h VAL 61 N 3.62 1.15 -0.70 3.70 2.07 -1.87 -2.32 116.25 121.90 1aud h VAL 61 Ca -0.44 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1aud h VAL 61 Cb 1.19 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1aud h VAL 61 CO 0.46 0.17 0.46 0.77 0.02 0.00 0.00 177.57 179.45 1aud h SER 62 N 0.58 0.66 -0.49 0.57 4.64 -1.96 -1.76 113.55 115.79 1aud h SER 62 Ca 0.15 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1aud h SER 62 Cb 0.07 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1aud h SER 62 CO -0.02 0.44 0.15 0.28 -0.87 0.00 0.00 176.83 176.81 1aud h SER 63 N 0.76 0.77 1.25 4.97 0.02 -1.82 -2.13 113.55 117.36 1aud h SER 63 Ca 0.29 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1aud h SER 63 Cb 0.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1aud h SER 63 CO -0.09 0.75 -0.21 0.00 -1.14 0.00 0.00 176.83 176.13 1aud h ALA 64 N 1.36 0.94 -0.22 3.77 0.00 -1.40 -2.89 119.26 120.82 1aud h ALA 64 Ca 0.18 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aud h ALA 64 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1aud h ALA 64 CO -0.00 0.27 -0.43 1.15 0.00 0.00 0.00 179.25 180.23 1aud h THR 65 N 0.00 1.31 -0.42 0.00 2.02 -0.92 -2.60 112.91 112.30 1aud h THR 65 Ca -0.00 -1.65 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 1aud h THR 65 Cb 0.89 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1aud h THR 65 CO 0.03 0.52 -0.10 0.78 0.37 0.00 0.00 175.52 177.12 1aud h ASN 66 N 0.39 0.81 -0.61 4.18 2.35 -1.49 -2.74 115.58 118.47 1aud h ASN 66 Ca 0.01 -0.36 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 1aud h ASN 66 Cb 1.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 1aud h ASN 66 CO 0.10 0.98 0.40 0.00 -1.65 0.00 0.00 177.43 177.26 1aud h ALA 67 N 0.86 1.71 -0.27 -0.83 0.00 -1.51 0.13 119.26 119.35 1aud h ALA 67 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1aud h ALA 67 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1aud h ALA 67 CO 0.04 0.22 -0.01 1.25 0.00 0.00 0.00 179.25 180.74 1aud h LEU 68 N 0.69 0.47 -1.13 0.00 5.85 -1.18 -2.86 115.31 117.16 1aud h LEU 68 Ca 0.25 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1aud h LEU 68 Cb 0.13 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1aud h LEU 68 CO -0.07 0.68 0.00 -2.11 -0.34 0.00 0.00 178.44 176.60 1aud n ARG 69 N -4.59 1.72 -0.13 1.25 1.85 -0.87 -3.81 116.66 112.08 1aud n ARG 69 Ca -0.03 -1.11 -0.22 0.00 -1.00 0.00 0.00 57.85 55.49 1aud n ARG 69 Cb 0.26 -1.27 -0.11 0.00 -1.05 0.00 0.00 32.46 30.28 1aud n ARG 69 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1aud n SER 70 N 0.38 1.98 -2.10 2.89 2.88 0.40 -4.50 113.62 115.54 1aud n SER 70 Ca 0.12 0.06 -0.27 0.00 -1.33 0.00 0.00 58.87 57.44 1aud n SER 70 Cb 0.27 -0.59 0.09 0.00 -0.75 0.00 0.00 64.21 63.23 1aud n SER 70 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1aud n MET 71 N -3.64 2.81 -1.54 -1.46 2.81 -1.16 -4.98 117.12 109.96 1aud n MET 71 Ca -0.48 -3.50 -0.35 0.00 -1.81 0.00 0.00 57.70 51.57 1aud n MET 71 Cb 0.95 -2.22 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 1aud n MET 71 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1aud n GLN 72 N -0.91 0.76 -2.58 0.03 1.13 -1.25 -2.21 117.38 112.36 1aud n GLN 72 Ca 0.54 -0.08 -0.05 0.00 -1.94 0.00 0.00 57.00 55.46 1aud n GLN 72 Cb 0.89 -3.02 0.02 0.00 0.11 0.00 0.00 30.24 28.24 1aud n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aud n GLY 73 N 6.17 -0.65 3.58 1.08 0.00 -1.04 -5.01 105.19 109.33 1aud n GLY 73 Ca 0.45 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.46 1aud n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aud s PHE 74 N -3.14 2.44 0.08 1.61 0.40 -0.90 -4.72 117.98 113.75 1aud s PHE 74 Ca 0.16 -0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 1aud s PHE 74 Cb -0.02 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1aud s PHE 74 CO 0.48 0.49 1.04 -1.25 0.70 0.00 0.00 175.22 176.68 1aud s PRO 75 N -3.68 4.58 0.16 0.24 0.04 -1.26 -1.86 135.00 133.22 1aud s PRO 75 Ca 0.34 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1aud s PRO 75 Cb 0.07 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1aud s PRO 75 CO 0.17 0.01 0.00 0.34 0.04 0.00 0.00 177.00 177.56 1aud n PHE 76 N 3.31 -0.89 -3.33 0.56 7.35 -1.06 -4.95 117.46 118.45 1aud n PHE 76 Ca 0.05 0.16 -0.26 0.00 -0.76 0.00 0.00 57.45 56.64 1aud n PHE 76 Cb 0.49 0.22 -0.07 0.00 0.35 0.00 0.00 39.48 40.46 1aud n PHE 76 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1aud n TYR 77 N -3.42 2.80 -3.60 -5.13 4.02 -1.26 -4.86 117.16 105.71 1aud n TYR 77 Ca 0.00 -4.02 -0.23 0.00 -0.01 0.00 0.00 57.90 53.64 1aud n TYR 77 Cb 0.00 -0.51 0.08 0.00 -0.02 0.00 0.00 39.34 38.89 1aud n TYR 77 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1aud n ASP 78 N 0.85 -5.55 -3.63 7.72 8.00 -1.26 -4.77 116.55 117.92 1aud n ASP 78 Ca 0.28 -0.57 -0.03 0.00 0.71 0.00 0.00 54.79 55.18 1aud n ASP 78 Cb 0.44 -4.96 -0.03 0.00 -0.02 0.00 0.00 41.12 36.55 1aud n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1aud s LYS 79 N -6.19 0.14 0.45 -1.24 1.02 -1.26 -5.09 119.74 107.57 1aud s LYS 79 Ca 0.50 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 56.27 1aud s LYS 79 Cb -0.22 0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 37.05 1aud s LYS 79 CO 0.74 -0.05 0.99 -1.25 -0.92 0.00 0.00 175.35 174.86 1aud s PRO 80 N -1.51 4.05 -0.17 -1.68 0.04 -1.26 -2.56 135.00 131.90 1aud s PRO 80 Ca 0.09 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 1aud s PRO 80 Cb -0.01 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1aud s PRO 80 CO -0.05 -0.20 0.45 0.00 0.04 0.00 0.00 177.00 177.24 1aud s MET 81 N -3.18 0.52 -0.03 4.56 0.23 -0.78 -4.94 119.30 115.67 1aud s MET 81 Ca 0.64 0.65 -0.01 0.00 -1.03 0.00 0.00 55.69 55.94 1aud s MET 81 Cb -0.12 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 1aud s MET 81 CO 0.16 -0.07 0.04 0.50 -2.03 0.00 0.00 175.02 173.62 1aud s ARG 82 N 0.34 2.98 -0.11 3.16 6.06 -1.26 -2.13 118.95 127.99 1aud s ARG 82 Ca -0.01 -0.48 -0.04 0.00 -2.50 0.00 0.00 55.73 52.71 1aud s ARG 82 Cb -0.04 -2.80 -0.04 0.00 0.06 0.00 0.00 34.95 32.14 1aud s ARG 82 CO -0.01 0.67 0.03 0.42 -2.50 0.00 0.00 175.30 173.91 1aud s ILE 83 N -1.06 4.57 -0.04 4.11 1.01 -1.26 -4.32 121.20 124.21 1aud s ILE 83 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1aud s ILE 83 Cb -0.12 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1aud s ILE 83 CO 0.09 0.57 -0.12 -1.10 0.00 0.00 0.00 174.94 174.38 1aud s GLN 84 N -0.59 1.35 0.85 2.79 1.11 -1.08 -4.99 119.66 119.11 1aud s GLN 84 Ca 0.10 -0.41 -0.15 0.00 0.01 0.00 0.00 55.36 54.91 1aud s GLN 84 Cb -0.12 -1.19 -0.02 0.00 -1.01 0.00 0.00 33.01 30.67 1aud s GLN 84 CO 0.02 0.13 0.29 0.66 0.01 0.00 0.00 175.29 176.41 1aud n TYR 85 N 3.37 -1.70 -1.95 0.91 4.01 -1.26 -2.29 117.16 118.25 1aud n TYR 85 Ca -0.19 0.25 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 1aud n TYR 85 Cb 0.53 -1.79 0.08 0.00 -0.31 0.00 0.00 39.34 37.85 1aud n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aud s ALA 86 N -2.15 2.77 -0.13 -0.72 0.00 -0.86 -4.53 121.76 116.14 1aud s ALA 86 Ca 0.58 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 1aud s ALA 86 Cb -0.27 -2.91 -0.25 0.00 0.00 0.00 0.00 23.12 19.69 1aud s ALA 86 CO 0.66 -1.52 0.33 1.63 0.00 0.00 0.00 175.76 176.85 1aud n LYS 87 N -3.20 0.74 -3.64 0.00 5.02 -1.26 -4.85 118.16 110.97 1aud n LYS 87 Ca 0.08 0.28 -0.24 0.00 -2.02 0.00 0.00 58.31 56.41 1aud n LYS 87 Cb 0.60 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1aud n LYS 87 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aud s THR 88 N -2.54 1.75 0.43 -0.18 -4.23 -1.26 -5.11 115.64 104.49 1aud s THR 88 Ca -0.23 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1aud s THR 88 Cb 0.07 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1aud s THR 88 CO 0.75 0.00 0.31 -1.81 -0.54 0.00 0.00 174.62 173.32 1aud s ASP 89 N -4.41 4.78 0.27 3.99 1.01 -1.26 -4.65 116.67 116.41 1aud s ASP 89 Ca 0.42 -0.91 0.05 0.00 0.71 0.00 0.00 52.55 52.81 1aud s ASP 89 Cb -0.03 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 1aud s ASP 89 CO 0.26 -0.65 0.40 -0.94 0.21 0.00 0.00 175.17 174.45 1aud s SER 90 N -4.06 6.24 0.00 0.27 1.04 -1.26 -5.02 113.70 110.92 1aud s SER 90 Ca 0.44 0.05 0.21 0.00 0.48 0.00 0.00 55.95 57.14 1aud s SER 90 Cb -0.00 -1.74 0.19 0.00 0.10 0.00 0.00 66.02 64.56 1aud s SER 90 CO 0.25 -0.17 1.19 -0.67 0.98 0.00 0.00 173.24 174.83 1aud n ASP 91 N -1.50 2.83 0.21 7.02 2.03 -1.26 -4.26 116.55 121.63 1aud n ASP 91 Ca -0.07 -1.89 0.05 0.00 0.52 0.00 0.00 54.79 53.40 1aud n ASP 91 Cb 0.57 -0.02 0.49 0.00 -0.72 0.00 0.00 41.12 41.44 1aud n ASP 91 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1aud h ILE 92 N 4.16 1.14 -0.78 5.18 -0.00 -2.01 -1.00 117.51 124.21 1aud h ILE 92 Ca 0.00 -0.65 0.04 0.00 -0.00 0.00 0.00 64.86 64.25 1aud h ILE 92 Cb 0.89 1.33 -0.05 0.00 -0.00 0.00 0.00 36.82 38.99 1aud h ILE 92 CO 0.00 0.19 0.49 0.40 -0.00 0.00 0.00 178.15 179.22 1aud h ILE 93 N 0.02 1.09 -0.38 0.16 1.08 -1.97 -1.30 117.51 116.21 1aud h ILE 93 Ca 0.00 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 1aud h ILE 93 Cb 0.33 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1aud h ILE 93 CO 0.02 0.17 0.20 0.00 -0.69 0.00 0.00 178.15 177.86 1aud h ALA 94 N 1.34 0.48 -1.35 1.87 0.00 -1.46 -2.15 119.26 117.98 1aud h ALA 94 Ca 0.32 0.01 0.40 0.00 0.00 0.00 0.00 54.91 55.64 1aud h ALA 94 Cb 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1aud h ALA 94 CO -0.13 -0.15 0.92 0.87 0.00 0.00 0.00 179.25 180.76 1aud h LYS 95 N 0.41 0.10 -7.22 0.00 1.79 -0.92 -2.44 116.57 108.30 1aud h LYS 95 Ca 0.16 -0.01 -0.46 0.00 -2.18 0.00 0.00 60.65 58.16 1aud h LYS 95 Cb 0.05 -0.02 0.19 0.00 -1.58 0.00 0.00 32.23 30.87 1aud h LYS 95 CO -0.10 0.07 0.10 0.00 -1.08 0.00 0.00 179.45 178.44 1aud s MET 96 N -5.16 -0.14 -1.07 3.15 0.23 -0.81 -2.54 119.30 112.95 1aud s MET 96 Ca -0.07 0.93 0.00 0.00 -1.03 0.00 0.00 55.69 55.53 1aud s MET 96 Cb 0.26 -1.64 0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1aud s MET 96 CO 0.83 -3.23 0.00 1.63 -2.03 0.00 0.00 175.02 172.22 1aud n LYS 97 N -4.58 -2.02 -3.48 3.16 5.02 -1.26 -1.92 118.16 113.08 1aud n LYS 97 Ca 0.05 0.60 -0.20 0.00 -2.02 0.00 0.00 58.31 56.75 1aud n LYS 97 Cb 0.54 -5.11 0.03 0.00 -0.02 0.00 0.00 35.03 30.47 1aud n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aud n GLY 98 N -0.65 -1.14 2.92 0.72 0.00 -1.05 -4.16 105.19 101.82 1aud n GLY 98 Ca -0.14 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 1aud n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1aud n THR 99 N -3.15 -1.44 -1.36 2.61 5.66 -0.81 -4.68 114.28 111.11 1aud n THR 99 Ca -0.10 0.14 0.07 0.00 -3.05 0.00 0.00 64.05 61.10 1aud n THR 99 Cb 0.59 -2.56 -0.02 0.00 -1.55 0.00 0.00 70.33 66.79 1aud n THR 99 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1aud n PHE 100 N 2.43 -2.37 1.05 1.09 7.35 -1.23 -5.02 117.46 120.76 1aud n PHE 100 Ca -0.02 0.60 0.12 0.00 -0.76 0.00 0.00 57.45 57.39 1aud n PHE 100 Cb 0.03 -1.05 0.14 0.00 0.35 0.00 0.00 39.48 38.94 1aud n PHE 100 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28