#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiw s GLY 2 N 0.00 1.59 0.29 3.03 0.00 0.37 -4.89 107.32 107.71 1aiw s GLY 2 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1aiw s GLY 2 CO 0.00 0.10 1.71 -0.55 0.00 0.00 0.00 173.10 174.36 1aiw h ASP 3 N -1.41 0.38 0.23 1.64 5.19 -1.90 -1.69 116.42 118.86 1aiw h ASP 3 Ca -0.50 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 1aiw h ASP 3 Cb 1.32 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1aiw h ASP 3 CO 0.61 0.04 -0.11 0.00 -3.12 0.00 0.00 179.24 176.66 1aiw n ALA 5 N -2.71 0.00 -2.32 0.00 0.00 -0.63 -4.93 120.51 109.91 1aiw n ALA 5 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1aiw n ALA 5 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 -0.23 -4.61 0.00 6.94 -1.26 -0.47 115.26 115.62 1aiw n ASN 6 Ca 0.00 -2.03 -0.26 0.00 -0.02 0.00 0.00 54.58 52.27 1aiw n ASN 6 Cb 0.00 0.10 -0.08 0.00 -2.36 0.00 0.00 39.78 37.44 1aiw n ASN 6 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aiw s ALA 7 N -0.33 3.07 -0.63 -2.53 0.00 -1.26 -5.01 121.76 115.07 1aiw s ALA 7 Ca 0.14 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 1aiw s ALA 7 Cb 0.21 -0.82 -0.15 0.00 0.00 0.00 0.00 23.12 22.35 1aiw s ALA 7 CO -0.07 0.43 1.62 0.09 0.00 0.00 0.00 175.76 177.82 1aiw n ASN 8 N -0.20 -0.07 -4.66 0.00 4.13 -1.26 -4.58 115.26 108.63 1aiw n ASN 8 Ca -0.09 0.01 -0.40 0.00 1.68 0.00 0.00 54.58 55.77 1aiw n ASN 8 Cb 0.56 -0.52 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 1aiw n ASN 8 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1aiw s VAL 9 N 4.38 5.00 0.24 2.41 1.01 -1.26 -0.26 120.40 131.93 1aiw s VAL 9 Ca 0.85 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 1aiw s VAL 9 Cb -0.73 -3.96 -0.15 0.00 0.00 0.00 0.00 36.38 31.54 1aiw s VAL 9 CO 0.32 0.09 1.03 0.00 0.00 0.00 0.00 175.10 176.54 1aiw n TYR 10 N 5.16 1.15 -0.76 5.22 9.36 0.29 -0.12 117.16 137.46 1aiw n TYR 10 Ca -0.01 0.71 -0.19 0.00 3.32 0.00 0.00 57.90 61.74 1aiw n TYR 10 Cb 0.49 -2.24 0.07 0.00 -0.63 0.00 0.00 39.34 37.04 1aiw n TYR 10 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1aiw n PRO 11 N 1.13 1.93 -1.23 2.98 -0.04 -1.26 -5.01 135.00 133.51 1aiw n PRO 11 Ca 0.12 -1.94 -0.38 0.00 -0.04 0.00 0.00 63.50 61.26 1aiw n PRO 11 Cb 0.29 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.18 4.16 -4.30 3.54 3.02 0.83 -4.93 115.26 117.40 1aiw n ASN 12 Ca 0.38 -2.63 -0.33 0.00 -0.03 0.00 0.00 54.58 51.97 1aiw n ASN 12 Cb 0.84 -1.31 0.13 0.00 -0.61 0.00 0.00 39.78 38.83 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 5.92 -1.74 -0.02 3.10 5.03 -1.26 -4.56 117.44 123.90 1aiw n TRP 13 Ca 0.53 0.20 -0.12 0.00 3.03 0.00 0.00 57.50 61.13 1aiw n TRP 13 Cb 0.32 -1.64 -0.14 0.00 -1.03 0.00 0.00 31.31 28.81 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1aiw n VAL 14 N -3.84 1.65 -4.14 -0.99 0.31 -1.19 -4.92 118.33 105.22 1aiw n VAL 14 Ca 0.03 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.48 1aiw n VAL 14 Cb 0.59 -1.21 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 1aiw n VAL 14 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1aiw s SER 15 N -6.33 0.41 -0.20 4.52 0.01 -0.44 -4.72 113.70 106.95 1aiw s SER 15 Ca -0.10 -1.33 -0.17 0.00 1.31 0.00 0.00 55.95 55.66 1aiw s SER 15 Cb 0.07 0.51 -0.07 0.00 0.21 0.00 0.00 66.02 66.74 1aiw s SER 15 CO 0.81 -1.03 -0.34 1.17 0.41 0.00 0.00 173.24 174.26 1aiw n LYS 16 N -0.40 0.54 0.01 12.44 4.81 -1.26 -0.22 118.16 134.08 1aiw n LYS 16 Ca 0.02 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1aiw n LYS 16 Cb 0.64 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.23 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 -4.42 -0.09 -4.82 3.14 8.00 -1.26 -4.34 116.55 112.76 1aiw n ASP 17 Ca -0.23 0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.02 1aiw n ASP 17 Cb 0.59 0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 42.17 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 -2.00 2.06 -0.04 1.24 1.48 -1.26 -5.10 118.94 115.31 1aiw s TRP 18 Ca 0.00 -0.77 -0.15 0.00 -1.06 0.00 0.00 56.10 54.12 1aiw s TRP 18 Cb 0.00 -1.88 -0.09 0.00 -1.16 0.00 0.00 33.47 30.34 1aiw s TRP 18 CO 0.00 -0.09 0.62 0.00 -4.06 0.00 0.00 176.95 173.43 1aiw h ALA 19 N 1.12 -0.44 0.00 2.67 0.00 -1.95 -3.34 119.26 117.32 1aiw h ALA 19 Ca -0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1aiw h ALA 19 Cb 1.29 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1aiw h ALA 19 CO 0.65 -0.42 -0.02 0.78 0.00 0.00 0.00 179.25 180.24 1aiw h GLY 20 N -1.08 0.00 -1.82 0.00 0.00 -1.99 -3.42 103.07 94.76 1aiw h GLY 20 Ca -0.04 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.76 1aiw h GLY 20 CO 0.07 0.00 0.41 -0.32 0.00 0.00 0.00 176.54 176.70 1aiw s GLY 21 N -4.16 2.40 0.24 4.60 0.00 -1.25 -4.92 107.32 104.23 1aiw s GLY 21 Ca -0.03 0.85 -0.31 0.00 0.00 0.00 0.00 44.72 45.23 1aiw s GLY 21 CO 0.48 1.25 1.68 0.61 0.00 0.00 0.00 173.10 177.12 1aiw n GLN 22 N -2.44 2.77 -0.72 2.90 10.64 -1.26 -4.36 117.38 124.92 1aiw n GLN 22 Ca 0.13 0.99 -0.31 0.00 -1.83 0.00 0.00 57.00 55.99 1aiw n GLN 22 Cb 0.50 -2.82 0.17 0.00 -0.86 0.00 0.00 30.24 27.23 1aiw n GLN 22 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 1aiw s PRO 23 N 0.56 1.00 0.00 2.61 0.02 -1.26 -4.30 135.00 133.63 1aiw s PRO 23 Ca 0.71 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1aiw s PRO 23 Cb -0.50 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1aiw s PRO 23 CO 0.38 -2.63 0.00 2.41 -0.33 0.00 0.00 177.00 176.83 1aiw n THR 24 N -4.23 0.00 -3.75 0.99 -1.04 0.21 -4.80 114.28 101.66 1aiw n THR 24 Ca 0.11 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.13 1aiw n THR 24 Cb 0.52 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1aiw n THR 24 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1aiw s HIS 25 N 0.00 -0.02 -0.14 -1.42 -3.43 0.69 -4.61 115.29 106.35 1aiw s HIS 25 Ca 0.00 -0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.15 1aiw s HIS 25 Cb 0.00 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1aiw s HIS 25 CO 0.00 -0.38 -0.19 1.21 -2.00 0.00 0.00 174.74 173.38 1aiw s ASN 26 N -3.23 2.93 0.59 7.38 3.84 0.29 -1.32 114.94 125.42 1aiw s ASN 26 Ca 0.19 -0.57 -0.01 0.00 0.21 0.00 0.00 52.86 52.68 1aiw s ASN 26 Cb 0.02 -1.35 0.04 0.00 -0.55 0.00 0.00 41.25 39.41 1aiw s ASN 26 CO -0.02 0.03 0.84 -0.70 -2.79 0.00 0.00 177.10 174.47 1aiw s GLU 27 N 1.04 2.51 0.05 0.43 2.12 -1.26 -1.11 118.70 122.49 1aiw s GLU 27 Ca -0.03 -0.56 -0.36 0.00 0.36 0.00 0.00 54.97 54.38 1aiw s GLU 27 Cb -0.14 -2.39 -0.15 0.00 0.26 0.00 0.00 34.13 31.70 1aiw s GLU 27 CO -0.06 -0.83 1.50 0.00 -0.54 0.00 0.00 175.26 175.33 1aiw n ALA 28 N -2.50 -0.06 -0.40 6.30 0.00 0.09 -0.56 120.51 123.37 1aiw n ALA 28 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1aiw n ALA 28 Cb 0.60 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 3.11 2.02 3.76 0.00 0.00 0.04 -4.96 105.19 109.15 1aiw n GLY 29 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.06 4.46 0.23 1.61 -1.52 0.28 -4.86 119.66 119.79 1aiw s GLN 30 Ca 0.00 1.01 0.02 0.00 -1.95 0.00 0.00 55.36 54.44 1aiw s GLN 30 Cb 0.00 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.44 1aiw s GLN 30 CO 0.00 0.42 0.38 -1.12 -0.25 0.00 0.00 175.29 174.71 1aiw s SER 31 N -0.50 6.34 0.15 5.90 0.01 -1.26 -2.56 113.70 121.78 1aiw s SER 31 Ca 0.36 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.71 1aiw s SER 31 Cb -0.21 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.11 1aiw s SER 31 CO 0.23 -0.07 0.39 -0.51 0.41 0.00 0.00 173.24 173.68 1aiw s ILE 32 N -1.95 0.06 0.06 1.44 2.07 0.28 -4.86 121.20 118.30 1aiw s ILE 32 Ca 0.36 -0.92 0.09 0.00 -1.41 0.00 0.00 60.65 58.77 1aiw s ILE 32 Cb -0.10 -1.49 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 1aiw s ILE 32 CO 0.30 -0.28 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.12 1aiw s VAL 33 N -3.88 1.97 0.11 4.00 1.01 0.65 -0.59 120.40 123.67 1aiw s VAL 33 Ca 0.09 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 1aiw s VAL 33 Cb 0.02 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1aiw s VAL 33 CO -0.06 0.26 0.97 -0.47 0.00 0.00 0.00 175.10 175.80 1aiw s TYR 34 N -0.85 -0.17 -1.82 5.22 5.04 -0.25 -0.55 117.35 123.97 1aiw s TYR 34 Ca 0.10 -0.09 -0.23 0.00 -2.44 0.00 0.00 57.07 54.42 1aiw s TYR 34 Cb -0.10 0.61 0.23 0.00 0.35 0.00 0.00 41.96 43.05 1aiw s TYR 34 CO 0.02 -0.73 0.59 1.63 -1.34 0.00 0.00 175.55 175.72 1aiw n LYS 35 N -0.42 -0.90 -3.44 4.97 4.76 -1.26 0.01 118.16 121.87 1aiw n LYS 35 Ca -0.07 0.15 -0.25 0.00 -2.87 0.00 0.00 58.31 55.27 1aiw n LYS 35 Cb 0.61 -4.73 0.02 0.00 -1.84 0.00 0.00 35.03 29.08 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 -1.06 -0.50 3.27 0.72 0.00 -1.26 -4.96 105.19 101.40 1aiw n GLY 36 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.89 -0.13 -0.04 1.61 0.01 0.10 -4.81 114.94 108.79 1aiw s ASN 37 Ca 0.46 -0.29 -0.22 0.00 -0.71 0.00 0.00 52.86 52.10 1aiw s ASN 37 Cb -0.23 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 1aiw s ASN 37 CO 0.56 -0.71 0.65 -0.22 -1.51 0.00 0.00 177.10 175.87 1aiw s LEU 38 N -2.41 4.36 0.11 0.60 2.96 0.78 -1.09 118.68 123.99 1aiw s LEU 38 Ca -0.01 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1aiw s LEU 38 Cb 0.01 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1aiw s LEU 38 CO -0.07 -0.02 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.53 1aiw s TYR 39 N 0.36 1.11 0.02 5.38 1.51 0.24 -1.01 117.35 124.97 1aiw s TYR 39 Ca 0.34 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1aiw s TYR 39 Cb -0.18 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1aiw s TYR 39 CO 0.17 0.01 -0.05 0.99 -1.11 0.00 0.00 175.55 175.57 1aiw s THR 40 N -2.74 0.35 0.38 -0.71 2.01 0.13 -0.56 115.64 114.51 1aiw s THR 40 Ca 0.09 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1aiw s THR 40 Cb -0.01 -0.38 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 1aiw s THR 40 CO -0.00 -0.18 0.75 0.00 -0.69 0.00 0.00 174.62 174.50 1aiw s ALA 41 N -0.77 3.36 -0.08 7.40 0.00 -1.06 -0.75 121.76 129.87 1aiw s ALA 41 Ca -0.05 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1aiw s ALA 41 Cb -0.06 -2.68 -0.24 0.00 0.00 0.00 0.00 23.12 20.14 1aiw s ALA 41 CO -0.00 0.07 0.53 0.09 0.00 0.00 0.00 175.76 176.44 1aiw n ASN 42 N -1.11 1.17 0.00 0.00 3.02 -0.28 -0.78 115.26 117.27 1aiw n ASN 42 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1aiw n ASN 42 Cb 0.54 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1aiw n ASN 42 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1aiw n TRP 43 N -3.14 0.00 -3.32 3.10 2.14 -1.26 -4.54 117.44 110.42 1aiw n TRP 43 Ca -0.22 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 58.94 1aiw n TRP 43 Cb 1.06 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 31.47 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 1.48 3.20 0.08 -2.67 6.14 -1.26 -0.73 117.35 123.59 1aiw s TYR 44 Ca 0.00 0.15 -0.23 0.00 0.64 0.00 0.00 57.07 57.64 1aiw s TYR 44 Cb 0.00 -2.78 0.06 0.00 0.42 0.00 0.00 41.96 39.66 1aiw s TYR 44 CO 0.00 -0.45 0.54 -0.08 0.64 0.00 0.00 175.55 176.20 1aiw s THR 45 N 2.21 0.02 -0.05 4.34 -1.32 -0.27 -5.00 115.64 115.58 1aiw s THR 45 Ca 0.16 -0.19 0.07 0.00 -1.21 0.00 0.00 61.69 60.52 1aiw s THR 45 Cb -0.16 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 69.93 1aiw s THR 45 CO 0.12 -0.11 1.05 0.00 -2.21 0.00 0.00 174.62 173.48 1aiw n ALA 46 N 0.13 2.10 -1.87 11.08 0.00 -1.26 -0.54 120.51 130.14 1aiw n ALA 46 Ca -0.18 -1.59 -0.21 0.00 0.00 0.00 0.00 53.44 51.46 1aiw n ALA 46 Cb 0.62 -0.46 0.20 0.00 0.00 0.00 0.00 19.45 19.81 1aiw n ALA 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aiw n SER 47 N -0.52 0.07 -4.65 0.00 3.41 -1.26 -5.01 113.62 105.67 1aiw n SER 47 Ca 0.06 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 1aiw n SER 47 Cb 0.68 -0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1aiw n SER 47 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aiw s VAL 48 N -3.77 4.85 0.08 -3.33 1.01 -1.26 -4.99 120.40 112.99 1aiw s VAL 48 Ca 0.72 1.54 -0.34 0.00 0.00 0.00 0.00 61.98 63.90 1aiw s VAL 48 Cb -0.02 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1aiw s VAL 48 CO 0.51 -0.05 1.63 -2.65 0.00 0.00 0.00 175.10 174.54 1aiw n PRO 49 N 5.89 2.05 0.00 2.72 -0.02 -1.26 -2.28 135.00 142.09 1aiw n PRO 49 Ca 0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1aiw n PRO 49 Cb 0.48 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.60 0.91 0.21 -1.23 0.00 -1.26 -4.63 105.19 102.79 1aiw n GLY 50 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1aiw n GLY 50 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1aiw h SER 51 N 0.00 0.10 -5.75 1.61 0.02 -1.94 -3.46 113.55 104.13 1aiw h SER 51 Ca 0.00 -0.03 -0.40 0.00 -0.84 0.00 0.00 61.79 60.53 1aiw h SER 51 Cb 0.00 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.41 1aiw h SER 51 CO 0.00 0.36 -0.33 1.51 -1.14 0.00 0.00 176.83 177.23 1aiw s ASP 52 N -6.93 1.44 1.02 3.07 1.47 -0.97 -5.04 116.67 110.74 1aiw s ASP 52 Ca -0.04 -1.67 -0.18 0.00 1.18 0.00 0.00 52.55 51.83 1aiw s ASP 52 Cb 0.15 0.63 -0.03 0.00 -0.34 0.00 0.00 42.92 43.33 1aiw s ASP 52 CO 0.73 -1.21 -0.36 -1.20 0.68 0.00 0.00 175.17 173.81 1aiw n SER 53 N -1.61 -3.19 0.00 2.11 7.64 -1.26 -4.07 113.62 113.24 1aiw n SER 53 Ca 0.05 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1aiw n SER 53 Cb 0.62 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1aiw n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1aiw n SER 54 N 0.54 -1.98 -4.46 6.43 3.41 -1.26 -4.84 113.62 111.45 1aiw n SER 54 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.33 1aiw n SER 54 Cb 0.61 -1.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.11 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 -2.23 2.48 -0.08 7.33 0.52 -1.26 -1.13 118.94 124.58 1aiw s TRP 55 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 1aiw s TRP 55 Cb 0.00 -1.34 0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1aiw s TRP 55 CO 0.00 0.35 0.02 0.99 0.02 0.00 0.00 176.95 178.33 1aiw s THR 56 N -1.09 0.25 0.29 2.01 2.01 0.07 -4.83 115.64 114.35 1aiw s THR 56 Ca 0.16 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1aiw s THR 56 Cb -0.10 -0.50 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 1aiw s THR 56 CO 0.08 0.17 1.17 -1.58 -0.69 0.00 0.00 174.62 173.77 1aiw s GLN 57 N 2.02 4.54 -0.03 4.92 0.74 -1.26 -0.70 119.66 129.89 1aiw s GLN 57 Ca 0.04 1.94 0.04 0.00 0.05 0.00 0.00 55.36 57.43 1aiw s GLN 57 Cb -0.13 -3.16 0.06 0.00 1.10 0.00 0.00 33.01 30.88 1aiw s GLN 57 CO -0.05 0.07 1.00 1.33 -0.55 0.00 0.00 175.29 177.09 1aiw n VAL 58 N 1.18 1.10 0.00 1.34 0.24 -0.18 -4.90 118.33 117.11 1aiw n VAL 58 Ca -0.00 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1aiw n VAL 58 Cb 0.44 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 1aiw n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aiw n GLY 59 N -0.65 0.09 3.98 7.63 0.00 -1.22 -4.93 105.19 110.08 1aiw n GLY 59 Ca 0.03 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 1aiw n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aiw s SER 60 N -4.00 4.22 -0.77 1.61 0.15 -1.26 -0.15 113.70 113.49 1aiw s SER 60 Ca 0.00 -0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.22 1aiw s SER 60 Cb 0.00 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1aiw s SER 60 CO 0.00 -1.95 1.70 0.00 1.20 0.00 0.00 173.24 174.18