#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 -0.18 -0.29 3.03 0.00 -1.26 -5.04 107.32 103.57 1aiw s GLY 2 Ca 0.00 2.19 -0.29 0.00 0.00 0.00 0.00 44.72 46.63 1aiw s GLY 2 CO 0.00 1.02 1.38 0.51 0.00 0.00 0.00 173.10 176.01 1aiw s ASP 3 N -1.15 -0.02 -1.13 1.64 1.47 -1.26 0.05 116.67 116.26 1aiw s ASP 3 Ca 0.01 0.03 -0.22 0.00 1.18 0.00 0.00 52.55 53.55 1aiw s ASP 3 Cb -0.01 0.02 -0.05 0.00 -0.34 0.00 0.00 42.92 42.54 1aiw s ASP 3 CO -0.01 -0.02 1.89 0.00 0.68 0.00 0.00 175.17 177.71 1aiw n ALA 5 N 13.29 1.07 -0.18 0.00 0.00 -1.26 -0.39 120.51 133.03 1aiw n ALA 5 Ca 0.44 0.99 0.13 0.00 0.00 0.00 0.00 53.44 55.00 1aiw n ALA 5 Cb 0.47 -1.02 0.45 0.00 0.00 0.00 0.00 19.45 19.35 1aiw n ALA 5 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1aiw h ASN 6 N 0.00 0.50 -2.79 0.00 7.08 -2.05 -3.42 115.58 114.90 1aiw h ASN 6 Ca 0.85 0.02 -0.55 0.00 -3.08 0.00 0.00 56.30 53.54 1aiw h ASN 6 Cb 2.31 -0.08 -0.02 0.00 -2.08 0.00 0.00 38.32 38.45 1aiw h ASN 6 CO -0.72 0.27 -0.39 0.00 -2.08 0.00 0.00 177.43 174.51 1aiw s ALA 7 N -5.52 3.88 -0.41 4.14 0.00 0.47 -5.02 121.76 119.31 1aiw s ALA 7 Ca -0.09 -0.87 -0.44 0.00 0.00 0.00 0.00 51.96 50.57 1aiw s ALA 7 Cb 0.21 -1.93 -0.18 0.00 0.00 0.00 0.00 23.12 21.22 1aiw s ALA 7 CO 0.77 0.52 1.74 0.09 0.00 0.00 0.00 175.76 178.88 1aiw n ASN 8 N -0.48 1.66 -4.70 0.00 4.13 -1.26 -4.72 115.26 109.90 1aiw n ASN 8 Ca -0.05 1.06 -0.36 0.00 1.68 0.00 0.00 54.58 56.91 1aiw n ASN 8 Cb 0.53 -1.00 -0.08 0.00 -1.54 0.00 0.00 39.78 37.69 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 3.70 5.35 0.20 2.41 1.01 -1.26 -0.22 120.40 131.58 1aiw s VAL 9 Ca 1.04 0.31 -0.32 0.00 0.00 0.00 0.00 61.98 63.01 1aiw s VAL 9 Cb -1.31 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 31.38 1aiw s VAL 9 CO 0.73 0.38 1.19 0.00 0.00 0.00 0.00 175.10 177.39 1aiw n TYR 10 N 3.92 1.44 -0.36 5.22 9.36 -0.16 0.09 117.16 136.68 1aiw n TYR 10 Ca -0.14 0.64 -0.06 0.00 3.32 0.00 0.00 57.90 61.66 1aiw n TYR 10 Cb 0.52 -2.31 0.19 0.00 -0.63 0.00 0.00 39.34 37.11 1aiw n TYR 10 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1aiw n PRO 11 N 1.70 2.67 -1.15 2.98 -0.02 -1.26 -5.00 135.00 134.92 1aiw n PRO 11 Ca 0.14 -2.02 -0.37 0.00 -2.02 0.00 0.00 63.50 59.22 1aiw n PRO 11 Cb 0.27 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1aiw n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1aiw n ASN 12 N -0.10 3.77 -4.52 2.55 3.02 0.11 -4.90 115.26 115.20 1aiw n ASN 12 Ca 0.29 -2.61 -0.35 0.00 -0.03 0.00 0.00 54.58 51.88 1aiw n ASN 12 Cb 1.08 -1.23 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 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 6.15 -0.32 -0.01 3.10 7.02 -1.26 -4.34 117.44 127.78 1aiw n TRP 13 Ca 0.51 0.35 -0.17 0.00 -1.02 0.00 0.00 57.50 57.17 1aiw n TRP 13 Cb 0.32 -1.96 -0.12 0.00 -2.42 0.00 0.00 31.31 27.14 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 -0.59 1.50 -3.10 -0.99 2.07 -1.85 -3.44 116.25 109.85 1aiw h VAL 14 Ca -0.46 -2.08 -0.53 0.00 0.82 0.00 0.00 66.70 64.45 1aiw h VAL 14 Cb 1.33 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.84 1aiw h VAL 14 CO 0.43 0.59 -0.22 -0.55 0.02 0.00 0.00 177.57 177.83 1aiw s SER 15 N -6.57 6.44 0.37 0.57 0.15 -0.01 -4.98 113.70 109.67 1aiw s SER 15 Ca -0.15 0.61 0.08 0.00 0.70 0.00 0.00 55.95 57.19 1aiw s SER 15 Cb 0.02 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1aiw s SER 15 CO 0.79 -0.11 0.15 -0.54 1.20 0.00 0.00 173.24 174.72 1aiw s LYS 16 N -3.32 2.29 0.38 5.44 1.02 -1.26 -0.52 119.74 123.76 1aiw s LYS 16 Ca 0.42 -1.67 0.08 0.00 0.02 0.00 0.00 55.97 54.83 1aiw s LYS 16 Cb -0.11 -2.09 0.77 0.00 -0.52 0.00 0.00 37.83 35.88 1aiw s LYS 16 CO 0.28 0.03 1.93 0.22 -0.92 0.00 0.00 175.35 176.89 1aiw h ASP 17 N 1.52 0.29 -5.03 2.83 3.58 -1.83 -3.44 116.42 114.35 1aiw h ASP 17 Ca -0.43 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 1aiw h ASP 17 Cb 1.25 -0.08 -0.13 0.00 1.72 0.00 0.00 39.33 42.09 1aiw h ASP 17 CO 0.65 0.40 0.09 -1.66 -2.88 0.00 0.00 179.24 175.85 1aiw s TRP 18 N -4.85 -0.42 0.13 0.28 1.48 -1.26 -5.04 118.94 109.26 1aiw s TRP 18 Ca -0.06 0.25 -0.24 0.00 -1.06 0.00 0.00 56.10 54.98 1aiw s TRP 18 Cb 0.16 0.42 -0.06 0.00 -1.16 0.00 0.00 33.47 32.83 1aiw s TRP 18 CO 0.74 -0.76 1.32 0.00 -4.06 0.00 0.00 176.95 174.19 1aiw n ALA 19 N -0.14 -0.51 0.65 2.67 0.00 -1.26 -0.50 120.51 121.43 1aiw n ALA 19 Ca -0.17 0.67 0.05 0.00 0.00 0.00 0.00 53.44 53.99 1aiw n ALA 19 Cb 0.63 -0.06 0.17 0.00 0.00 0.00 0.00 19.45 20.20 1aiw n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aiw n GLY 20 N -1.20 1.11 0.00 0.00 0.00 -1.26 -4.91 105.19 98.92 1aiw n GLY 20 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1aiw n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aiw n GLY 21 N 0.84 -0.09 3.97 -0.02 0.00 0.35 -5.11 105.19 105.13 1aiw n GLY 21 Ca 0.12 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1aiw n GLY 21 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aiw s GLN 22 N -1.28 3.38 0.55 1.61 -0.21 -1.26 -4.93 119.66 117.51 1aiw s GLN 22 Ca 0.00 -0.80 -0.19 0.00 0.02 0.00 0.00 55.36 54.39 1aiw s GLN 22 Cb 0.00 -2.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.05 1aiw s GLN 22 CO 0.00 0.38 0.60 -2.30 -2.12 0.00 0.00 175.29 171.85 1aiw n PRO 23 N -1.43 0.60 0.00 2.91 -0.02 -1.26 -3.35 135.00 132.45 1aiw n PRO 23 Ca -0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1aiw n PRO 23 Cb 0.57 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.54 0.00 0.00 3.45 -1.04 0.32 -4.71 114.28 110.76 1aiw n THR 24 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1aiw n THR 24 Cb 0.46 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -3.82 -1.42 1.44 -0.78 -4.74 115.22 105.90 1aiw n HIS 25 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 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 4.97 0.70 4.39 -0.87 -0.04 -0.83 114.94 123.27 1aiw s ASN 26 Ca 0.00 -0.89 -0.08 0.00 -1.57 0.00 0.00 52.86 50.32 1aiw s ASN 26 Cb 0.00 -1.82 0.05 0.00 -0.02 0.00 0.00 41.25 39.46 1aiw s ASN 26 CO 0.00 -0.21 1.04 -0.70 -2.57 0.00 0.00 177.10 174.66 1aiw s GLU 27 N 1.42 2.41 -0.12 -0.60 2.12 -1.26 -2.54 118.70 120.12 1aiw s GLU 27 Ca 0.00 -0.01 -0.41 0.00 0.36 0.00 0.00 54.97 54.92 1aiw s GLU 27 Cb -0.18 -2.12 -0.19 0.00 0.26 0.00 0.00 34.13 31.90 1aiw s GLU 27 CO 0.01 -1.17 1.30 0.00 -0.54 0.00 0.00 175.26 174.86 1aiw n ALA 28 N -2.95 -2.31 -0.17 6.30 0.00 0.12 -0.61 120.51 120.90 1aiw n ALA 28 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1aiw n ALA 28 Cb 0.59 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 2.50 2.51 3.69 0.00 0.00 0.31 -4.94 105.19 109.26 1aiw n GLY 29 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 4.39 0.54 1.61 -1.52 0.22 -4.80 119.66 120.06 1aiw s GLN 30 Ca 0.00 1.12 -0.06 0.00 -1.95 0.00 0.00 55.36 54.47 1aiw s GLN 30 Cb 0.00 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 1aiw s GLN 30 CO 0.00 -0.19 0.86 -1.54 -0.25 0.00 0.00 175.29 174.17 1aiw s SER 31 N 1.04 5.90 -0.10 5.90 1.04 -1.26 -1.73 113.70 124.50 1aiw s SER 31 Ca 0.42 0.83 -0.31 0.00 0.48 0.00 0.00 55.95 57.38 1aiw s SER 31 Cb -0.18 -1.96 0.10 0.00 0.10 0.00 0.00 66.02 64.07 1aiw s SER 31 CO 0.17 -0.85 0.82 -0.51 0.98 0.00 0.00 173.24 173.85 1aiw s ILE 32 N -2.89 0.00 0.17 -1.02 2.07 0.72 -4.74 121.20 115.51 1aiw s ILE 32 Ca 0.51 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.79 1aiw s ILE 32 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 1aiw s ILE 32 CO 0.45 0.00 0.23 -0.69 -1.91 0.00 0.00 174.94 173.02 1aiw s VAL 33 N -1.19 4.95 -0.29 4.00 1.01 0.69 -0.68 120.40 128.89 1aiw s VAL 33 Ca -0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1aiw s VAL 33 Cb -0.00 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.96 1aiw s VAL 33 CO 0.06 -0.13 0.90 -0.47 0.00 0.00 0.00 175.10 175.47 1aiw s TYR 34 N -1.78 -0.77 -1.31 5.22 5.04 -0.06 -0.98 117.35 122.71 1aiw s TYR 34 Ca 0.33 1.43 -0.19 0.00 -2.44 0.00 0.00 57.07 56.20 1aiw s TYR 34 Cb -0.10 0.46 0.02 0.00 0.35 0.00 0.00 41.96 42.69 1aiw s TYR 34 CO 0.26 -0.38 0.50 1.63 -1.34 0.00 0.00 175.55 176.22 1aiw n LYS 35 N 4.45 -1.08 0.00 4.97 5.02 -1.13 -1.79 118.16 128.60 1aiw n LYS 35 Ca -0.15 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1aiw n LYS 35 Cb 0.55 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 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 -2.12 1.21 3.77 0.72 0.00 0.11 -4.94 105.19 103.95 1aiw n GLY 36 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 6.40 -0.27 1.61 0.01 -0.74 -1.83 114.94 120.12 1aiw s ASN 37 Ca 0.00 2.28 -0.10 0.00 -0.71 0.00 0.00 52.86 54.33 1aiw s ASN 37 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1aiw s ASN 37 CO 0.00 -0.75 0.16 -0.22 -1.51 0.00 0.00 177.10 174.77 1aiw s LEU 38 N -2.75 3.87 0.19 0.60 2.96 0.20 -0.88 118.68 122.87 1aiw s LEU 38 Ca 0.60 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1aiw s LEU 38 Cb -0.28 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1aiw s LEU 38 CO 0.35 -0.06 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.82 1aiw s TYR 39 N 1.71 1.94 0.01 5.38 2.02 0.14 -0.58 117.35 127.98 1aiw s TYR 39 Ca 0.07 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1aiw s TYR 39 Cb -0.16 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1aiw s TYR 39 CO 0.09 0.41 -0.10 0.99 -1.57 0.00 0.00 175.55 175.36 1aiw s THR 40 N -2.17 0.80 0.34 -0.71 2.01 0.26 -0.20 115.64 115.98 1aiw s THR 40 Ca 0.19 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 1aiw s THR 40 Cb -0.05 -0.72 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 1aiw s THR 40 CO 0.08 0.07 0.97 0.00 -0.69 0.00 0.00 174.62 175.05 1aiw s ALA 41 N -0.55 3.18 -0.05 7.40 0.00 -0.70 -0.73 121.76 130.31 1aiw s ALA 41 Ca 0.01 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1aiw s ALA 41 Cb -0.06 -3.21 -0.28 0.00 0.00 0.00 0.00 23.12 19.58 1aiw s ALA 41 CO 0.00 0.08 0.66 -0.91 0.00 0.00 0.00 175.76 175.59 1aiw h ASN 42 N 2.98 0.44 0.00 0.00 -0.26 -1.36 0.91 115.58 118.29 1aiw h ASN 42 Ca -0.47 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 54.54 1aiw h ASN 42 Cb 1.20 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 1aiw h ASN 42 CO 0.64 1.62 0.00 -2.67 -1.06 0.00 0.00 177.43 175.97 1aiw n TRP 43 N -3.47 -1.24 -3.67 1.19 2.14 -1.26 -4.53 117.44 106.59 1aiw n TRP 43 Ca -0.23 0.19 -0.14 0.00 2.07 0.00 0.00 57.50 59.39 1aiw n TRP 43 Cb 1.06 0.74 -0.08 0.00 -0.81 0.00 0.00 31.31 32.22 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 -1.25 -0.58 -0.27 -2.67 6.14 -1.26 0.16 117.35 117.62 1aiw s TYR 44 Ca 0.00 1.34 -0.27 0.00 0.64 0.00 0.00 57.07 58.77 1aiw s TYR 44 Cb 0.00 0.22 0.18 0.00 0.42 0.00 0.00 41.96 42.78 1aiw s TYR 44 CO 0.00 -0.34 1.31 -0.08 0.64 0.00 0.00 175.55 177.08 1aiw s THR 45 N -0.02 0.00 -0.33 4.34 -1.32 -1.05 -4.92 115.64 112.33 1aiw s THR 45 Ca -0.02 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 1aiw s THR 45 Cb -0.04 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.40 1aiw s THR 45 CO 0.02 0.00 1.23 0.00 -2.21 0.00 0.00 174.62 173.66 1aiw n ALA 46 N 1.10 2.52 -2.00 11.08 0.00 -1.26 -0.86 120.51 131.08 1aiw n ALA 46 Ca -0.06 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1aiw n ALA 46 Cb 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.66 0.00 -3.62 0.00 3.41 -1.26 -5.03 113.62 106.46 1aiw n SER 47 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1aiw n SER 47 Cb 0.84 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.65 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 1.56 -0.35 0.11 -3.33 1.01 -1.26 -5.06 120.40 113.08 1aiw s VAL 48 Ca 0.00 0.20 -0.36 0.00 0.00 0.00 0.00 61.98 61.82 1aiw s VAL 48 Cb 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 36.38 35.75 1aiw s VAL 48 CO 0.00 0.04 1.32 -2.65 0.00 0.00 0.00 175.10 173.81 1aiw n PRO 49 N 5.33 1.23 0.00 2.72 -0.02 -1.26 -2.58 135.00 140.42 1aiw n PRO 49 Ca -0.05 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1aiw n PRO 49 Cb 0.50 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.48 0.82 0.40 -1.23 0.00 -1.26 -4.73 105.19 101.67 1aiw n GLY 50 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.86 1.43 1.61 0.02 -1.93 -3.21 113.55 110.61 1aiw h SER 51 Ca 0.00 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1aiw h SER 51 Cb 0.00 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1aiw h SER 51 CO 0.00 -0.58 -0.53 0.44 -1.14 0.00 0.00 176.83 175.02 1aiw h ASP 52 N -0.95 0.00 -4.45 3.07 5.19 -1.83 -3.50 116.42 113.95 1aiw h ASP 52 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1aiw h ASP 52 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1aiw h ASP 52 CO 0.13 0.53 0.00 -1.54 -3.12 0.00 0.00 179.24 175.24 1aiw n SER 53 N -3.25 0.00 -0.14 6.45 3.41 -1.22 -4.99 113.62 113.88 1aiw n SER 53 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1aiw n SER 53 Cb 0.74 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1aiw n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1aiw n SER 54 N -0.61 -1.61 -4.13 4.04 2.88 -1.26 -4.88 113.62 108.04 1aiw n SER 54 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.44 1aiw n SER 54 Cb 0.00 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 62.58 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 -2.06 0.78 -0.24 0.66 0.52 -1.26 -0.99 118.94 116.35 1aiw s TRP 55 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 56.10 55.22 1aiw s TRP 55 Cb 0.00 -0.47 0.11 0.00 -1.15 0.00 0.00 33.47 31.96 1aiw s TRP 55 CO 0.00 -0.16 0.51 0.99 0.02 0.00 0.00 176.95 178.31 1aiw s THR 56 N -3.06 -0.77 0.06 2.01 2.01 0.09 -4.84 115.64 111.14 1aiw s THR 56 Ca 0.05 0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 1aiw s THR 56 Cb 0.01 -0.80 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 1aiw s THR 56 CO -0.04 0.04 1.31 -1.58 -0.69 0.00 0.00 174.62 173.66 1aiw s GLN 57 N 2.70 4.36 -0.01 4.92 0.74 -1.26 -0.57 119.66 130.54 1aiw s GLN 57 Ca -0.04 1.91 0.17 0.00 0.05 0.00 0.00 55.36 57.45 1aiw s GLN 57 Cb -0.12 -3.37 -0.21 0.00 1.10 0.00 0.00 33.01 30.41 1aiw s GLN 57 CO -0.15 -0.40 0.61 1.33 -0.55 0.00 0.00 175.29 176.12 1aiw n VAL 58 N 4.13 0.00 -2.57 1.34 0.24 0.26 -4.94 118.33 116.79 1aiw n VAL 58 Ca 0.11 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1aiw n VAL 58 Cb 0.44 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.51 3.33 7.63 0.00 -1.13 -5.00 105.19 110.95 1aiw n GLY 59 Ca 0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.53 -0.15 1.61 0.01 -1.26 -0.63 113.70 108.75 1aiw s SER 60 Ca 0.00 0.95 -0.10 0.00 1.31 0.00 0.00 55.95 58.11 1aiw s SER 60 Cb 0.00 0.89 -0.24 0.00 0.21 0.00 0.00 66.02 66.88 1aiw s SER 60 CO 0.00 -0.18 0.27 0.00 0.41 0.00 0.00 173.24 173.74