#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 1.70 0.52 3.03 0.00 -1.26 -4.93 107.32 106.38 1aiw s GLY 2 Ca 0.00 0.23 0.28 0.00 0.00 0.00 0.00 44.72 45.23 1aiw s GLY 2 CO 0.00 0.56 1.91 -0.55 0.00 0.00 0.00 173.10 175.02 1aiw h ASP 3 N -0.94 0.06 0.00 1.64 5.19 -1.97 -3.35 116.42 117.06 1aiw h ASP 3 Ca -0.44 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1aiw h ASP 3 Cb 1.23 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1aiw h ASP 3 CO 0.53 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.68 1aiw n ALA 5 N -3.49 0.00 -2.08 0.00 0.00 -1.26 -4.63 120.51 109.06 1aiw n ALA 5 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1aiw n ALA 5 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.22 -1.68 0.00 6.94 -1.26 -4.75 115.26 114.28 1aiw n ASN 6 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 52.88 1aiw n ASN 6 Cb 0.00 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1aiw n ASN 6 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aiw n ALA 7 N 0.08 0.00 -2.26 -2.53 0.00 -1.26 -4.94 120.51 109.59 1aiw n ALA 7 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1aiw n ALA 7 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 1aiw n ALA 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1aiw s ASN 8 N -1.00 5.72 -0.28 0.00 -0.87 -1.26 -4.94 114.94 112.31 1aiw s ASN 8 Ca 0.00 -1.08 -0.26 0.00 -1.57 0.00 0.00 52.86 49.95 1aiw s ASN 8 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1aiw s ASN 8 CO 0.00 -2.23 0.90 -0.69 -2.57 0.00 0.00 177.10 172.51 1aiw s VAL 9 N 7.97 4.73 0.16 1.60 1.01 -1.26 -0.35 120.40 134.25 1aiw s VAL 9 Ca 0.60 1.56 -0.33 0.00 0.00 0.00 0.00 61.98 63.81 1aiw s VAL 9 Cb -0.03 -4.22 -0.17 0.00 0.00 0.00 0.00 36.38 31.96 1aiw s VAL 9 CO -0.03 -0.23 0.99 0.00 0.00 0.00 0.00 175.10 175.83 1aiw n TYR 10 N 6.30 0.78 -0.41 5.22 9.36 0.13 -0.11 117.16 138.43 1aiw n TYR 10 Ca 0.07 0.81 -0.14 0.00 3.32 0.00 0.00 57.90 61.97 1aiw n TYR 10 Cb 0.47 -2.17 0.07 0.00 -0.63 0.00 0.00 39.34 37.08 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 1.46 1.70 -1.05 2.98 -0.04 -1.26 -5.00 135.00 133.79 1aiw n PRO 11 Ca 0.16 -1.55 -0.32 0.00 -0.04 0.00 0.00 63.50 61.76 1aiw n PRO 11 Cb 0.22 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.08 5.43 -4.38 3.54 3.02 0.84 -4.93 115.26 118.70 1aiw n ASN 12 Ca 0.30 -2.50 -0.33 0.00 -0.03 0.00 0.00 54.58 52.03 1aiw n ASN 12 Cb 0.89 -1.28 0.12 0.00 -0.61 0.00 0.00 39.78 38.91 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 4.76 -1.66 0.04 3.10 5.03 -1.26 -4.53 117.44 122.92 1aiw n TRP 13 Ca 0.55 0.21 -0.10 0.00 3.03 0.00 0.00 57.50 61.19 1aiw n TRP 13 Cb 0.23 -1.75 -0.13 0.00 -1.03 0.00 0.00 31.31 28.63 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1aiw h VAL 14 N -1.57 1.36 -3.50 -0.99 2.07 -1.87 -3.46 116.25 108.29 1aiw h VAL 14 Ca -0.44 -3.08 -0.04 0.00 0.82 0.00 0.00 66.70 63.96 1aiw h VAL 14 Cb 1.29 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 33.69 1aiw h VAL 14 CO 0.34 0.82 -0.06 -0.55 0.02 0.00 0.00 177.57 178.13 1aiw s SER 15 N -6.65 -0.15 -0.07 0.57 0.15 -1.02 -4.93 113.70 101.60 1aiw s SER 15 Ca -0.03 -0.74 0.12 0.00 0.70 0.00 0.00 55.95 56.01 1aiw s SER 15 Cb 0.09 0.58 -0.23 0.00 -1.71 0.00 0.00 66.02 64.74 1aiw s SER 15 CO 0.83 -1.10 0.58 1.17 1.20 0.00 0.00 173.24 175.92 1aiw n LYS 16 N -0.35 0.64 0.00 5.44 0.00 -1.26 -0.76 118.16 121.87 1aiw n LYS 16 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.52 1aiw n LYS 16 Cb 0.62 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.89 1aiw n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1aiw n ASP 17 N -3.03 0.00 -4.69 3.14 8.00 -1.26 -4.57 116.55 114.13 1aiw n ASP 17 Ca -0.20 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 1aiw n ASP 17 Cb 1.06 0.00 -0.09 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 2.30 -0.01 1.24 1.48 -1.26 -5.10 118.94 117.58 1aiw s TRP 18 Ca 0.00 -0.75 -0.22 0.00 -1.06 0.00 0.00 56.10 54.07 1aiw s TRP 18 Cb 0.00 -1.77 -0.14 0.00 -1.16 0.00 0.00 33.47 30.41 1aiw s TRP 18 CO 0.00 0.30 0.96 0.00 -4.06 0.00 0.00 176.95 174.16 1aiw h ALA 19 N 1.55 -0.56 0.00 2.67 0.00 -1.99 -3.33 119.26 117.59 1aiw h ALA 19 Ca -0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1aiw h ALA 19 Cb 1.27 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1aiw h ALA 19 CO 0.76 -0.59 -0.15 0.78 0.00 0.00 0.00 179.25 180.05 1aiw h GLY 20 N -1.01 0.00 -3.45 0.00 0.00 -1.99 -3.45 103.07 93.17 1aiw h GLY 20 Ca -0.06 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.75 1aiw h GLY 20 CO 0.09 0.00 0.61 -0.32 0.00 0.00 0.00 176.54 176.92 1aiw s GLY 21 N -4.19 2.93 0.26 4.60 0.00 -1.25 -4.95 107.32 104.71 1aiw s GLY 21 Ca -0.04 1.22 -0.31 0.00 0.00 0.00 0.00 44.72 45.60 1aiw s GLY 21 CO 0.65 1.81 1.65 1.20 0.00 0.00 0.00 173.10 178.41 1aiw s GLN 22 N -2.20 4.12 1.08 2.90 1.11 -1.26 -4.21 119.66 121.20 1aiw s GLN 22 Ca 0.56 2.59 -0.16 0.00 0.01 0.00 0.00 55.36 58.36 1aiw s GLN 22 Cb -0.38 -3.04 0.12 0.00 -1.01 0.00 0.00 33.01 28.70 1aiw s GLN 22 CO 0.49 -0.69 0.29 -2.30 0.01 0.00 0.00 175.29 173.09 1aiw n PRO 23 N 2.95 -1.37 0.00 2.91 -0.02 -1.26 -4.36 135.00 133.85 1aiw n PRO 23 Ca 0.11 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1aiw n PRO 23 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1aiw n PRO 23 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1aiw n THR 24 N -4.30 0.00 0.00 3.45 -1.04 0.06 -4.72 114.28 107.73 1aiw n THR 24 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1aiw n THR 24 Cb 0.59 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 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 -4.66 -1.42 1.44 -0.06 -4.71 115.22 105.81 1aiw n HIS 25 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1aiw n HIS 25 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 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 4.33 0.42 4.39 -0.87 0.01 -2.44 114.94 120.78 1aiw s ASN 26 Ca 0.00 -0.22 0.08 0.00 -1.57 0.00 0.00 52.86 51.15 1aiw s ASN 26 Cb 0.00 -1.54 0.01 0.00 -0.02 0.00 0.00 41.25 39.70 1aiw s ASN 26 CO 0.00 0.21 0.57 -1.61 -2.57 0.00 0.00 177.10 173.70 1aiw s GLU 27 N 0.11 2.84 -0.16 -0.60 2.02 -1.26 -1.17 118.70 120.49 1aiw s GLU 27 Ca -0.04 -1.20 -0.41 0.00 0.02 0.00 0.00 54.97 53.34 1aiw s GLU 27 Cb -0.14 -2.75 -0.18 0.00 0.10 0.00 0.00 34.13 31.16 1aiw s GLU 27 CO 0.04 -0.26 1.45 0.00 0.02 0.00 0.00 175.26 176.51 1aiw n ALA 28 N -1.85 -1.40 -0.03 5.21 0.00 0.15 -0.39 120.51 122.20 1aiw n ALA 28 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1aiw n ALA 28 Cb 0.59 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 3.09 2.62 3.68 0.00 0.00 0.30 -4.94 105.19 109.94 1aiw n GLY 29 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.10 4.33 0.49 1.61 -1.52 0.48 -4.82 119.66 120.12 1aiw s GLN 30 Ca 0.00 1.03 -0.00 0.00 -1.95 0.00 0.00 55.36 54.44 1aiw s GLN 30 Cb 0.00 -3.55 0.00 0.00 -0.22 0.00 0.00 33.01 29.24 1aiw s GLN 30 CO 0.00 -0.27 0.72 -1.12 -0.25 0.00 0.00 175.29 174.37 1aiw s SER 31 N 1.11 5.71 0.18 5.90 0.01 -1.26 -1.81 113.70 123.53 1aiw s SER 31 Ca 0.39 0.30 -0.23 0.00 1.31 0.00 0.00 55.95 57.72 1aiw s SER 31 Cb -0.17 -1.45 0.06 0.00 0.21 0.00 0.00 66.02 64.67 1aiw s SER 31 CO 0.14 -0.82 0.69 -0.51 0.41 0.00 0.00 173.24 173.15 1aiw s ILE 32 N -2.65 0.00 0.06 1.44 2.07 0.27 -4.78 121.20 117.61 1aiw s ILE 32 Ca 0.50 -0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.49 1aiw s ILE 32 Cb -0.10 -1.35 -0.03 0.00 0.13 0.00 0.00 42.46 41.11 1aiw s ILE 32 CO 0.39 0.00 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.57 1aiw s VAL 33 N -3.70 2.95 -0.23 4.00 1.01 0.52 -0.54 120.40 124.41 1aiw s VAL 33 Ca 0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1aiw s VAL 33 Cb -0.02 -2.28 0.12 0.00 0.00 0.00 0.00 36.38 34.20 1aiw s VAL 33 CO -0.06 0.28 0.30 -0.47 0.00 0.00 0.00 175.10 175.16 1aiw s TYR 34 N -1.00 -0.56 -0.35 5.22 5.04 0.36 -0.69 117.35 125.37 1aiw s TYR 34 Ca 0.16 0.46 -0.31 0.00 -2.44 0.00 0.00 57.07 54.94 1aiw s TYR 34 Cb -0.11 -0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.06 1aiw s TYR 34 CO 0.07 -0.70 0.53 1.63 -1.34 0.00 0.00 175.55 175.74 1aiw n LYS 35 N 5.34 -1.56 0.00 4.97 5.02 -1.26 -2.51 118.16 128.16 1aiw n LYS 35 Ca -0.04 1.24 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 1aiw n LYS 35 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1aiw n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aiw n GLY 36 N 0.08 0.96 3.77 0.72 0.00 0.32 -4.93 105.19 106.12 1aiw n GLY 36 Ca -0.07 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 6.94 -0.17 1.61 0.01 -1.04 -0.10 114.94 122.18 1aiw s ASN 37 Ca 0.00 2.27 -0.08 0.00 -0.71 0.00 0.00 52.86 54.34 1aiw s ASN 37 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1aiw s ASN 37 CO 0.00 -0.38 0.09 -0.22 -1.51 0.00 0.00 177.10 175.08 1aiw s LEU 38 N -1.98 4.01 0.20 0.60 2.96 0.30 -0.48 118.68 124.29 1aiw s LEU 38 Ca 0.51 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1aiw s LEU 38 Cb -0.30 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 1aiw s LEU 38 CO 0.39 0.22 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.32 1aiw s TYR 39 N 0.11 1.38 0.01 5.38 1.51 0.30 -0.31 117.35 125.73 1aiw s TYR 39 Ca 0.07 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1aiw s TYR 39 Cb -0.12 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1aiw s TYR 39 CO -0.00 -0.12 -0.09 0.99 -1.11 0.00 0.00 175.55 175.23 1aiw s THR 40 N -3.53 0.66 0.26 -0.71 2.01 0.06 -0.56 115.64 113.82 1aiw s THR 40 Ca 0.26 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.39 1aiw s THR 40 Cb 0.06 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.87 1aiw s THR 40 CO 0.06 0.01 0.88 0.00 -0.69 0.00 0.00 174.62 174.87 1aiw s ALA 41 N -0.57 3.32 0.01 7.40 0.00 -0.75 -2.09 121.76 129.08 1aiw s ALA 41 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1aiw s ALA 41 Cb -0.05 -3.09 -0.26 0.00 0.00 0.00 0.00 23.12 19.71 1aiw s ALA 41 CO 0.00 0.23 0.89 -0.91 0.00 0.00 0.00 175.76 175.98 1aiw h ASN 42 N 3.68 0.28 0.00 0.00 2.35 -1.11 0.88 115.58 121.66 1aiw h ASN 42 Ca -0.47 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1aiw h ASN 42 Cb 1.20 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1aiw h ASN 42 CO 0.66 1.33 0.00 -2.67 -1.65 0.00 0.00 177.43 175.10 1aiw n TRP 43 N -3.39 -0.42 -3.63 1.19 2.14 -1.26 -4.52 117.44 107.55 1aiw n TRP 43 Ca -0.14 0.01 -0.04 0.00 2.07 0.00 0.00 57.50 59.40 1aiw n TRP 43 Cb 1.03 0.51 -0.06 0.00 -0.81 0.00 0.00 31.31 31.98 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 -1.02 -1.11 -0.07 -2.67 6.14 -1.26 0.34 117.35 117.70 1aiw s TYR 44 Ca 0.00 2.08 -0.29 0.00 0.64 0.00 0.00 57.07 59.49 1aiw s TYR 44 Cb 0.00 0.67 0.11 0.00 0.42 0.00 0.00 41.96 43.16 1aiw s TYR 44 CO 0.00 -0.55 0.91 -0.08 0.64 0.00 0.00 175.55 176.47 1aiw s THR 45 N 2.14 0.00 -0.05 4.34 -1.32 -0.31 -4.85 115.64 115.58 1aiw s THR 45 Ca -0.08 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.62 1aiw s THR 45 Cb -0.08 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.31 1aiw s THR 45 CO -0.19 0.00 1.15 0.00 -2.21 0.00 0.00 174.62 173.37 1aiw n ALA 46 N 0.29 2.58 -1.20 11.08 0.00 -1.26 -0.81 120.51 131.19 1aiw n ALA 46 Ca -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.16 1aiw n ALA 46 Cb 0.60 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 0.19 0.00 -3.59 0.00 3.41 -1.26 -5.04 113.62 107.34 1aiw n SER 47 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 1aiw n SER 47 Cb 1.03 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.28 -0.31 -0.28 -3.33 1.01 -1.26 -5.10 120.40 111.41 1aiw s VAL 48 Ca 0.00 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.75 1aiw s VAL 48 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 1aiw s VAL 48 CO 0.00 -0.03 2.12 -2.65 0.00 0.00 0.00 175.10 174.54 1aiw n PRO 49 N 5.33 1.43 0.00 2.72 -0.02 -1.26 -0.73 135.00 142.47 1aiw n PRO 49 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1aiw n PRO 49 Cb 0.50 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.90 1.65 2.81 -1.23 0.00 -1.26 -4.87 105.19 108.20 1aiw n GLY 50 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1aiw n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aiw n SER 51 N 0.00 3.66 0.00 1.61 2.88 0.09 -4.90 113.62 116.97 1aiw n SER 51 Ca 0.00 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1aiw n SER 51 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 1aiw n SER 51 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1aiw n ASP 52 N 6.42 0.00 0.00 -3.46 8.00 -1.26 -4.70 116.55 121.55 1aiw n ASP 52 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1aiw n ASP 52 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1aiw n SER 53 N 4.75 0.00 -1.71 -2.24 2.88 -1.26 -0.54 113.62 115.50 1aiw n SER 53 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1aiw n SER 53 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1aiw n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1aiw n SER 54 N 0.22 -0.45 -4.63 -3.46 2.88 -1.26 -5.05 113.62 101.87 1aiw n SER 54 Ca 0.00 -1.29 -0.27 0.00 -1.33 0.00 0.00 58.87 55.99 1aiw n SER 54 Cb 0.00 0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 1aiw n SER 54 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1aiw s TRP 55 N 0.04 2.77 -0.21 0.66 0.52 0.30 -0.54 118.94 122.48 1aiw s TRP 55 Ca 0.02 -0.16 -0.08 0.00 0.02 0.00 0.00 56.10 55.90 1aiw s TRP 55 Cb 0.12 -1.35 0.09 0.00 -1.15 0.00 0.00 33.47 31.19 1aiw s TRP 55 CO -0.04 0.52 0.46 0.99 0.02 0.00 0.00 176.95 178.90 1aiw s THR 56 N -1.72 -0.64 -0.02 2.01 2.01 -0.89 -4.84 115.64 111.56 1aiw s THR 56 Ca 0.26 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1aiw s THR 56 Cb -0.09 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1aiw s THR 56 CO 0.17 0.06 1.40 -1.58 -0.69 0.00 0.00 174.62 173.98 1aiw s GLN 57 N 2.54 4.27 -0.01 4.92 0.74 -1.26 -0.76 119.66 130.10 1aiw s GLN 57 Ca -0.03 1.94 0.19 0.00 0.05 0.00 0.00 55.36 57.52 1aiw s GLN 57 Cb -0.12 -3.62 -0.24 0.00 1.10 0.00 0.00 33.01 30.13 1aiw s GLN 57 CO -0.14 -0.60 0.69 1.33 -0.55 0.00 0.00 175.29 176.02 1aiw n VAL 58 N 4.79 0.00 0.00 1.34 0.24 0.57 -4.93 118.33 120.35 1aiw n VAL 58 Ca 0.13 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1aiw n VAL 58 Cb 0.44 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.43 -0.53 3.40 7.63 0.00 -1.01 -4.98 105.19 111.13 1aiw n GLY 59 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1aiw n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aiw s SER 60 N -4.00 -0.60 0.00 1.61 0.01 -1.26 -0.54 113.70 108.93 1aiw s SER 60 Ca 0.00 1.07 -0.22 0.00 1.31 0.00 0.00 55.95 58.11 1aiw s SER 60 Cb 0.00 1.02 -0.18 0.00 0.21 0.00 0.00 66.02 67.06 1aiw s SER 60 CO 0.00 -0.19 1.23 0.00 0.41 0.00 0.00 173.24 174.68