#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiw n GLY 2 N 0.00 0.32 3.49 3.03 0.00 -1.26 -2.92 105.19 107.85 1aiw n GLY 2 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1aiw n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1aiw s ASP 3 N -4.00 -0.61 -1.27 1.61 -4.77 -1.26 -0.23 116.67 106.14 1aiw s ASP 3 Ca 0.00 1.18 -0.18 0.00 -3.30 0.00 0.00 52.55 50.25 1aiw s ASP 3 Cb 0.00 1.20 0.01 0.00 -1.09 0.00 0.00 42.92 43.03 1aiw s ASP 3 CO 0.00 -0.20 1.96 0.00 0.70 0.00 0.00 175.17 177.63 1aiw n ALA 5 N 8.30 0.00 0.12 0.00 0.00 -1.26 -0.14 120.51 127.53 1aiw n ALA 5 Ca 0.50 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.98 1aiw n ALA 5 Cb 0.43 -0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.93 1aiw n ALA 5 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aiw n ASN 6 N -4.05 0.00 -4.07 0.00 2.04 -1.26 -4.60 115.26 103.33 1aiw n ASN 6 Ca 0.00 0.42 -0.19 0.00 -0.44 0.00 0.00 54.58 54.37 1aiw n ASN 6 Cb 0.01 -0.43 -0.14 0.00 -2.53 0.00 0.00 39.78 36.69 1aiw n ASN 6 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1aiw s ALA 7 N -2.86 0.91 -0.35 -2.53 0.00 0.80 -5.08 121.76 112.64 1aiw s ALA 7 Ca 0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1aiw s ALA 7 Cb 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 1aiw s ALA 7 CO 0.05 0.20 1.15 0.09 0.00 0.00 0.00 175.76 177.25 1aiw n ASN 8 N 2.58 0.25 -4.74 0.00 4.13 -1.26 -4.55 115.26 111.66 1aiw n ASN 8 Ca -0.15 0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.92 1aiw n ASN 8 Cb 0.56 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 38.32 1aiw n ASN 8 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1aiw s VAL 9 N 3.55 4.78 0.11 2.41 0.11 -1.26 -0.31 120.40 129.78 1aiw s VAL 9 Ca 0.61 1.59 -0.35 0.00 -2.93 0.00 0.00 61.98 60.90 1aiw s VAL 9 Cb -0.66 -4.10 -0.17 0.00 -1.53 0.00 0.00 36.38 29.92 1aiw s VAL 9 CO 0.27 0.35 1.12 0.00 -3.33 0.00 0.00 175.10 173.52 1aiw n TYR 10 N 2.92 1.01 -1.50 1.54 4.19 -0.16 -0.50 117.16 124.65 1aiw n TYR 10 Ca -0.02 0.79 -0.36 0.00 3.31 0.00 0.00 57.90 61.62 1aiw n TYR 10 Cb 0.50 -2.21 0.06 0.00 0.49 0.00 0.00 39.34 38.19 1aiw n TYR 10 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1aiw n PRO 11 N 1.81 2.68 -1.26 2.98 -0.04 -1.26 -5.04 135.00 134.87 1aiw n PRO 11 Ca 0.17 -3.31 -0.36 0.00 -0.04 0.00 0.00 63.50 59.96 1aiw n PRO 11 Cb 0.19 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 1aiw n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aiw n ASN 12 N -0.75 5.56 -4.57 3.54 3.02 0.35 -4.85 115.26 117.55 1aiw n ASN 12 Ca 0.59 -2.60 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 1aiw n ASN 12 Cb 0.52 -1.40 0.11 0.00 -0.61 0.00 0.00 39.78 38.40 1aiw n ASN 12 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1aiw n TRP 13 N 5.03 0.16 0.21 3.10 7.02 -1.26 -4.67 117.44 127.02 1aiw n TRP 13 Ca 0.59 0.36 0.10 0.00 -1.02 0.00 0.00 57.50 57.53 1aiw n TRP 13 Cb 0.28 -1.99 0.19 0.00 -2.42 0.00 0.00 31.31 27.37 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1aiw h VAL 14 N -0.91 0.21 -4.08 -0.99 2.07 -1.85 -3.43 116.25 107.27 1aiw h VAL 14 Ca -0.45 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 65.69 1aiw h VAL 14 Cb 1.31 2.05 -0.13 0.00 -1.52 0.00 0.00 31.29 32.99 1aiw h VAL 14 CO 0.43 0.12 -0.42 -0.55 0.02 0.00 0.00 177.57 177.16 1aiw s SER 15 N -6.23 0.12 -0.18 0.57 0.15 -1.23 -4.78 113.70 102.12 1aiw s SER 15 Ca 0.06 -1.01 0.09 0.00 0.70 0.00 0.00 55.95 55.79 1aiw s SER 15 Cb 0.06 0.40 -0.23 0.00 -1.71 0.00 0.00 66.02 64.55 1aiw s SER 15 CO 0.68 -0.86 0.12 1.17 1.20 0.00 0.00 173.24 175.55 1aiw n LYS 16 N -0.19 0.68 0.00 5.44 4.81 -1.26 -0.66 118.16 126.97 1aiw n LYS 16 Ca -0.06 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1aiw n LYS 16 Cb 0.63 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1aiw n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aiw n ASP 17 N -3.04 0.00 -4.49 3.14 8.00 -1.26 -4.52 116.55 114.38 1aiw n ASP 17 Ca -0.34 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 54.90 1aiw n ASP 17 Cb 1.08 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.07 1aiw n ASP 17 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1aiw s TRP 18 N 0.00 2.44 0.09 1.24 1.48 -1.26 -5.07 118.94 117.87 1aiw s TRP 18 Ca 0.00 -0.30 -0.34 0.00 -1.06 0.00 0.00 56.10 54.40 1aiw s TRP 18 Cb 0.00 -1.18 -0.15 0.00 -1.16 0.00 0.00 33.47 30.97 1aiw s TRP 18 CO 0.00 0.53 1.53 0.00 -4.06 0.00 0.00 176.95 174.96 1aiw h ALA 19 N 2.95 -1.05 0.00 2.67 0.00 -1.97 -2.79 119.26 119.06 1aiw h ALA 19 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1aiw h ALA 19 Cb 1.21 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1aiw h ALA 19 CO 0.52 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 179.04 1aiw n GLY 20 N -1.50 -0.85 3.80 0.00 0.00 -1.26 -4.73 105.19 100.65 1aiw n GLY 20 Ca -0.10 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1aiw n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aiw s GLY 21 N -2.42 2.30 0.49 -0.02 0.00 -1.06 -5.00 107.32 101.61 1aiw s GLY 21 Ca 0.21 0.47 -0.24 0.00 0.00 0.00 0.00 44.72 45.17 1aiw s GLY 21 CO 0.28 0.78 1.35 -0.86 0.00 0.00 0.00 173.10 174.65 1aiw s GLN 22 N -3.67 3.49 0.77 2.90 -2.07 -1.26 -4.26 119.66 115.56 1aiw s GLN 22 Ca 0.65 2.24 -0.12 0.00 -1.82 0.00 0.00 55.36 56.30 1aiw s GLN 22 Cb -0.15 -2.47 0.06 0.00 -1.09 0.00 0.00 33.01 29.36 1aiw s GLN 22 CO 0.28 -0.91 1.12 -2.14 -1.32 0.00 0.00 175.29 172.32 1aiw s PRO 23 N -2.65 2.10 0.00 9.60 0.02 -1.26 -4.03 135.00 138.78 1aiw s PRO 23 Ca 0.65 1.36 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1aiw s PRO 23 Cb -0.40 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1aiw s PRO 23 CO 0.49 -1.79 0.00 2.41 -0.33 0.00 0.00 177.00 177.78 1aiw n THR 24 N -3.36 0.00 0.00 0.99 -1.04 0.16 -4.77 114.28 106.27 1aiw n THR 24 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1aiw n THR 24 Cb 0.52 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1aiw n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aiw n HIS 25 N 0.00 0.00 -2.91 -1.42 1.44 -0.73 -4.78 115.22 106.82 1aiw n HIS 25 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1aiw n HIS 25 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1aiw n HIS 25 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1aiw s ASN 26 N 0.00 7.40 0.55 4.39 -0.87 0.61 -3.50 114.94 123.51 1aiw s ASN 26 Ca 0.00 1.71 -0.03 0.00 -1.57 0.00 0.00 52.86 52.98 1aiw s ASN 26 Cb 0.00 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 1aiw s ASN 26 CO 0.00 0.13 0.82 -1.61 -2.57 0.00 0.00 177.10 173.87 1aiw s GLU 27 N -1.42 2.81 0.19 -0.60 2.02 -1.26 -1.01 118.70 119.43 1aiw s GLU 27 Ca 0.40 -0.32 -0.33 0.00 0.02 0.00 0.00 54.97 54.74 1aiw s GLU 27 Cb -0.22 -2.39 -0.13 0.00 0.10 0.00 0.00 34.13 31.49 1aiw s GLU 27 CO 0.26 -0.63 1.60 0.00 0.02 0.00 0.00 175.26 176.52 1aiw n ALA 28 N -2.42 1.79 -0.30 5.21 0.00 -0.42 -0.92 120.51 123.45 1aiw n ALA 28 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1aiw n ALA 28 Cb 0.58 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1aiw n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aiw n GLY 29 N 3.38 2.01 3.81 0.00 0.00 0.47 -4.94 105.19 109.93 1aiw n GLY 29 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1aiw n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aiw s GLN 30 N -0.13 4.31 0.32 1.61 -1.52 -0.09 -4.74 119.66 119.42 1aiw s GLN 30 Ca 0.00 0.92 0.07 0.00 -1.95 0.00 0.00 55.36 54.40 1aiw s GLN 30 Cb 0.00 -2.98 -0.02 0.00 -0.22 0.00 0.00 33.01 29.79 1aiw s GLN 30 CO 0.00 0.45 0.37 -1.12 -0.25 0.00 0.00 175.29 174.74 1aiw s SER 31 N -1.51 5.68 0.06 5.90 0.01 -1.26 -0.74 113.70 121.84 1aiw s SER 31 Ca 0.40 -0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 1aiw s SER 31 Cb -0.18 -1.17 0.08 0.00 0.21 0.00 0.00 66.02 64.96 1aiw s SER 31 CO 0.22 -0.35 0.69 -0.51 0.41 0.00 0.00 173.24 173.70 1aiw s ILE 32 N -2.22 0.00 0.23 1.44 2.07 0.53 -4.74 121.20 118.52 1aiw s ILE 32 Ca 0.42 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.71 1aiw s ILE 32 Cb -0.08 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1aiw s ILE 32 CO 0.29 0.00 0.30 -0.69 -1.91 0.00 0.00 174.94 172.92 1aiw s VAL 33 N -2.80 5.01 0.00 4.00 1.01 0.57 -0.69 120.40 127.49 1aiw s VAL 33 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1aiw s VAL 33 Cb -0.01 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1aiw s VAL 33 CO -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 174.74 1aiw n TYR 34 N -1.22 0.00 -4.41 5.22 4.19 -0.92 -0.99 117.16 119.03 1aiw n TYR 34 Ca -0.08 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.76 1aiw n TYR 34 Cb 0.57 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.32 1aiw n TYR 34 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1aiw n LYS 35 N -0.27 -1.12 -1.91 2.98 4.76 -0.61 -0.44 118.16 121.56 1aiw n LYS 35 Ca 0.00 0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 1aiw n LYS 35 Cb 0.00 -4.31 -0.03 0.00 -1.84 0.00 0.00 35.03 28.85 1aiw n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aiw n GLY 36 N -1.72 0.45 3.45 0.72 0.00 0.68 -3.91 105.19 104.87 1aiw n GLY 36 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1aiw n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aiw s ASN 37 N -2.12 3.54 -0.21 1.61 0.01 0.42 -0.68 114.94 117.50 1aiw s ASN 37 Ca 0.00 -0.92 -0.04 0.00 -0.71 0.00 0.00 52.86 51.19 1aiw s ASN 37 Cb 0.00 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 1aiw s ASN 37 CO 0.00 0.09 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.44 1aiw s LEU 38 N -3.03 3.06 0.10 0.60 2.96 -0.20 -2.17 118.68 120.00 1aiw s LEU 38 Ca 0.25 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1aiw s LEU 38 Cb -0.07 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1aiw s LEU 38 CO 0.12 0.01 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.66 1aiw s TYR 39 N 1.28 1.72 -0.04 5.38 1.51 0.13 -0.57 117.35 126.76 1aiw s TYR 39 Ca 0.04 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1aiw s TYR 39 Cb -0.14 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1aiw s TYR 39 CO -0.00 0.19 -0.20 0.99 -1.11 0.00 0.00 175.55 175.42 1aiw s THR 40 N -1.23 2.55 0.29 -0.71 2.01 0.45 -0.35 115.64 118.65 1aiw s THR 40 Ca 0.06 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1aiw s THR 40 Cb -0.10 -1.95 -0.09 0.00 0.01 0.00 0.00 72.50 70.37 1aiw s THR 40 CO 0.04 0.58 0.97 0.00 -0.69 0.00 0.00 174.62 175.52 1aiw s ALA 41 N -0.57 3.27 -0.01 7.40 0.00 0.08 -1.00 121.76 130.94 1aiw s ALA 41 Ca 0.08 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1aiw s ALA 41 Cb -0.11 -3.22 -0.23 0.00 0.00 0.00 0.00 23.12 19.56 1aiw s ALA 41 CO 0.01 0.12 0.80 -0.91 0.00 0.00 0.00 175.76 175.78 1aiw h ASN 42 N 3.56 0.04 0.00 0.00 2.35 -1.27 0.14 115.58 120.40 1aiw h ASN 42 Ca -0.46 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1aiw h ASN 42 Cb 1.20 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1aiw h ASN 42 CO 0.66 1.07 0.00 -2.67 -1.65 0.00 0.00 177.43 174.84 1aiw n TRP 43 N -3.16 0.00 -3.20 1.19 2.14 -1.26 -4.54 117.44 108.61 1aiw n TRP 43 Ca -0.14 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.02 1aiw n TRP 43 Cb 1.03 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.45 1aiw n TRP 43 CO 0.00 0.00 0.00 -0.47 2.07 0.00 0.00 177.69 179.29 1aiw s TYR 44 N 1.36 3.19 -0.13 -2.67 6.14 -1.26 -1.29 117.35 122.69 1aiw s TYR 44 Ca 0.00 0.36 -0.30 0.00 0.64 0.00 0.00 57.07 57.77 1aiw s TYR 44 Cb 0.00 -2.94 0.09 0.00 0.42 0.00 0.00 41.96 39.54 1aiw s TYR 44 CO 0.00 -0.50 0.83 -0.08 0.64 0.00 0.00 175.55 176.44 1aiw s THR 45 N 2.47 0.00 -0.03 4.34 -1.32 -0.18 -4.98 115.64 115.94 1aiw s THR 45 Ca 0.21 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.74 1aiw s THR 45 Cb -0.15 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.91 1aiw s THR 45 CO 0.13 0.00 0.97 0.00 -2.21 0.00 0.00 174.62 173.51 1aiw n ALA 46 N 1.10 1.94 -1.28 11.08 0.00 -1.26 -0.29 120.51 131.80 1aiw n ALA 46 Ca -0.15 -1.34 -0.30 0.00 0.00 0.00 0.00 53.44 51.65 1aiw n ALA 46 Cb 0.57 -0.12 0.11 0.00 0.00 0.00 0.00 19.45 20.01 1aiw n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aiw s SER 47 N -1.34 4.13 -0.12 0.00 0.15 -1.26 -4.94 113.70 110.32 1aiw s SER 47 Ca 0.08 1.63 -0.29 0.00 0.70 0.00 0.00 55.95 58.07 1aiw s SER 47 Cb 0.07 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1aiw s SER 47 CO 0.01 -2.24 1.58 -0.69 1.20 0.00 0.00 173.24 173.09 1aiw s VAL 48 N -2.95 3.74 -0.36 4.45 1.01 -1.26 -4.89 120.40 120.14 1aiw s VAL 48 Ca 0.62 0.87 -0.45 0.00 0.00 0.00 0.00 61.98 63.03 1aiw s VAL 48 Cb -0.17 -3.62 -0.19 0.00 0.00 0.00 0.00 36.38 32.40 1aiw s VAL 48 CO 0.56 -0.14 1.50 -2.65 0.00 0.00 0.00 175.10 174.37 1aiw n PRO 49 N 7.20 0.16 -1.58 2.72 -0.02 -1.26 -1.24 135.00 140.98 1aiw n PRO 49 Ca 0.17 0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1aiw n PRO 49 Cb 0.44 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1aiw n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aiw n GLY 50 N 3.46 0.58 0.57 -1.23 0.00 -1.26 -4.77 105.19 102.54 1aiw n GLY 50 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1aiw n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aiw n SER 51 N -0.54 1.68 0.00 1.61 7.64 -0.37 -4.93 113.62 118.71 1aiw n SER 51 Ca -0.10 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1aiw n SER 51 Cb 0.39 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1aiw n SER 51 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1aiw n ASP 52 N -0.92 0.00 -3.69 6.43 2.03 -1.25 -4.85 116.55 114.30 1aiw n ASP 52 Ca 0.15 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.47 1aiw n ASP 52 Cb 0.74 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.15 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1aiw s SER 53 N 1.96 -0.01 -0.94 1.67 0.15 -1.26 -5.00 113.70 110.27 1aiw s SER 53 Ca 0.00 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1aiw s SER 53 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1aiw s SER 53 CO 0.00 -0.45 0.00 -1.54 1.20 0.00 0.00 173.24 172.45 1aiw n SER 54 N -0.99 -5.18 -4.20 5.45 3.41 -1.26 -4.80 113.62 106.04 1aiw n SER 54 Ca 0.00 0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.59 1aiw n SER 54 Cb 0.59 -3.46 -0.15 0.00 -0.26 0.00 0.00 64.21 60.94 1aiw n SER 54 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1aiw s TRP 55 N -1.96 1.62 -0.13 7.33 0.52 -1.26 -0.79 118.94 124.28 1aiw s TRP 55 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 56.10 55.76 1aiw s TRP 55 Cb 0.00 -1.00 0.05 0.00 -1.15 0.00 0.00 33.47 31.36 1aiw s TRP 55 CO 0.00 0.03 0.04 0.99 0.02 0.00 0.00 176.95 178.02 1aiw s THR 56 N -0.62 0.29 0.38 2.01 2.01 -0.17 -4.79 115.64 114.75 1aiw s THR 56 Ca 0.06 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 1aiw s THR 56 Cb -0.08 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.65 1aiw s THR 56 CO 0.00 -0.01 1.41 -1.58 -0.69 0.00 0.00 174.62 173.75 1aiw s GLN 57 N 1.98 4.10 0.00 4.92 0.74 -1.26 -0.41 119.66 129.73 1aiw s GLN 57 Ca 0.02 2.40 0.00 0.00 0.05 0.00 0.00 55.36 57.84 1aiw s GLN 57 Cb -0.15 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1aiw s GLN 57 CO -0.07 -0.47 0.40 1.55 -0.55 0.00 0.00 175.29 176.15 1aiw n VAL 58 N 0.43 0.16 -3.26 1.34 3.14 0.26 -4.85 118.33 115.54 1aiw n VAL 58 Ca 0.02 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1aiw n VAL 58 Cb 0.41 1.29 0.00 0.00 -1.06 0.00 0.00 33.84 34.47 1aiw n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aiw n GLY 59 N -0.08 -1.13 3.75 7.55 0.00 -1.16 -4.97 105.19 109.14 1aiw n GLY 59 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 1aiw n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aiw s SER 60 N -3.78 -0.31 0.26 1.61 1.04 -1.26 -1.04 113.70 110.23 1aiw s SER 60 Ca 0.00 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 1aiw s SER 60 Cb 0.00 0.65 0.39 0.00 0.10 0.00 0.00 66.02 67.16 1aiw s SER 60 CO 0.00 -1.18 1.89 0.00 0.98 0.00 0.00 173.24 174.93