#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 -0.23 0.35 -5.12 0.00 -1.06 -4.92 107.32 96.34 1aiw s GLY 2 Ca 0.00 0.29 0.10 0.00 0.00 0.00 0.00 44.72 45.11 1aiw s GLY 2 CO 0.00 2.38 1.85 -0.55 0.00 0.00 0.00 173.10 176.77 1aiw h ASP 3 N 2.00 0.64 0.39 1.64 5.19 -1.94 -2.02 116.42 122.33 1aiw h ASP 3 Ca -0.27 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 1aiw h ASP 3 Cb 1.20 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1aiw h ASP 3 CO 0.30 0.30 -0.19 0.00 -3.12 0.00 0.00 179.24 176.53 1aiw n ALA 5 N -2.67 0.00 -2.32 0.00 0.00 -0.76 -4.25 120.51 110.52 1aiw n ALA 5 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1aiw n ALA 5 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.17 -4.77 0.00 6.94 -1.26 -2.55 115.26 113.45 1aiw n ASN 6 Ca 0.00 -2.03 -0.33 0.00 -0.02 0.00 0.00 54.58 52.20 1aiw n ASN 6 Cb 0.00 0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 37.42 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 -0.31 4.17 -0.56 -2.53 0.00 -1.26 -5.04 121.76 116.24 1aiw s ALA 7 Ca 0.15 -0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 1aiw s ALA 7 Cb 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 1aiw s ALA 7 CO -0.08 -0.02 2.35 -0.80 0.00 0.00 0.00 175.76 177.21 1aiw s ASN 8 N -3.90 4.43 -0.20 0.00 -0.87 -1.26 -4.85 114.94 108.29 1aiw s ASN 8 Ca 0.05 0.82 -0.05 0.00 -1.57 0.00 0.00 52.86 52.11 1aiw s ASN 8 Cb 0.01 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 1aiw s ASN 8 CO 0.03 -3.00 -0.01 0.54 -2.57 0.00 0.00 177.10 172.08 1aiw s VAL 9 N 12.34 3.83 0.06 1.60 0.11 -1.26 -0.74 120.40 136.33 1aiw s VAL 9 Ca 0.94 -0.36 -0.36 0.00 -2.93 0.00 0.00 61.98 59.27 1aiw s VAL 9 Cb -0.16 -2.72 -0.19 0.00 -1.53 0.00 0.00 36.38 31.78 1aiw s VAL 9 CO 0.22 0.44 0.89 0.00 -3.33 0.00 0.00 175.10 173.32 1aiw n TYR 10 N 4.24 0.30 0.58 1.54 4.19 0.31 0.00 117.16 128.32 1aiw n TYR 10 Ca -0.17 1.02 0.02 0.00 3.31 0.00 0.00 57.90 62.08 1aiw n TYR 10 Cb 0.52 -2.02 0.12 0.00 0.49 0.00 0.00 39.34 38.45 1aiw n TYR 10 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1aiw n PRO 11 N 1.33 2.06 -1.15 2.98 -0.02 -1.26 -4.95 135.00 133.98 1aiw n PRO 11 Ca 0.19 -0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 60.40 1aiw n PRO 11 Cb 0.13 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.18 4.93 -4.56 2.55 3.02 0.10 -4.83 115.26 116.66 1aiw n ASN 12 Ca 0.08 -2.56 -0.36 0.00 -0.03 0.00 0.00 54.58 51.70 1aiw n ASN 12 Cb 0.48 -1.31 0.07 0.00 -0.61 0.00 0.00 39.78 38.41 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 5.27 0.16 -0.08 3.10 7.02 -1.26 -4.12 117.44 127.53 1aiw n TRP 13 Ca 0.55 0.39 -0.14 0.00 -1.02 0.00 0.00 57.50 57.28 1aiw n TRP 13 Cb 0.27 -2.03 -0.05 0.00 -2.42 0.00 0.00 31.31 27.08 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 -0.15 1.32 -2.91 -0.99 2.07 -1.85 -3.44 116.25 110.29 1aiw h VAL 14 Ca -0.47 -1.52 -0.62 0.00 0.82 0.00 0.00 66.70 64.91 1aiw h VAL 14 Cb 1.35 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1aiw h VAL 14 CO 0.46 0.48 -0.50 -0.55 0.02 0.00 0.00 177.57 177.48 1aiw s SER 15 N -6.55 6.36 0.40 0.57 0.15 -0.40 -4.96 113.70 109.27 1aiw s SER 15 Ca -0.12 0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.87 1aiw s SER 15 Cb 0.08 -1.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1aiw s SER 15 CO 0.82 0.17 0.51 -0.54 1.20 0.00 0.00 173.24 175.41 1aiw s LYS 16 N -2.49 2.80 0.17 5.44 1.02 -1.26 -0.66 119.74 124.77 1aiw s LYS 16 Ca 0.35 -1.27 -0.09 0.00 0.02 0.00 0.00 55.97 54.97 1aiw s LYS 16 Cb -0.13 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1aiw s LYS 16 CO 0.28 -0.20 1.60 0.22 -0.92 0.00 0.00 175.35 176.33 1aiw h ASP 17 N 0.78 1.03 -5.21 2.83 3.58 -1.86 -3.43 116.42 114.14 1aiw h ASP 17 Ca -0.41 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 56.59 1aiw h ASP 17 Cb 1.27 -0.28 -0.14 0.00 1.72 0.00 0.00 39.33 41.91 1aiw h ASP 17 CO 0.49 1.15 -0.38 -1.66 -2.88 0.00 0.00 179.24 175.95 1aiw s TRP 18 N -4.84 0.29 0.15 0.28 1.48 -1.26 -5.03 118.94 110.01 1aiw s TRP 18 Ca -0.11 -0.70 -0.30 0.00 -1.06 0.00 0.00 56.10 53.92 1aiw s TRP 18 Cb 0.13 -0.10 -0.07 0.00 -1.16 0.00 0.00 33.47 32.27 1aiw s TRP 18 CO 0.86 -0.59 1.52 0.00 -4.06 0.00 0.00 176.95 174.68 1aiw h ALA 19 N 2.71 -0.56 -0.26 2.67 0.00 -1.99 0.14 119.26 121.96 1aiw h ALA 19 Ca -0.33 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1aiw h ALA 19 Cb 1.21 1.33 0.00 0.00 0.00 0.00 0.00 17.79 20.33 1aiw h ALA 19 CO 0.54 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1aiw n GLY 20 N -1.26 0.89 0.00 0.00 0.00 -1.26 -4.89 105.19 98.68 1aiw n GLY 20 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.72 -0.54 3.50 -0.02 0.00 0.49 -5.12 105.19 104.21 1aiw n GLY 21 Ca 0.10 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1aiw n GLY 21 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aiw s GLN 22 N 0.18 1.78 0.20 1.61 -2.07 -1.26 -4.94 119.66 115.15 1aiw s GLN 22 Ca 0.00 -1.67 -0.31 0.00 -1.82 0.00 0.00 55.36 51.55 1aiw s GLN 22 Cb 0.00 -1.85 -0.16 0.00 -1.09 0.00 0.00 33.01 29.91 1aiw s GLN 22 CO 0.00 0.35 1.05 -2.30 -1.32 0.00 0.00 175.29 173.07 1aiw n PRO 23 N -0.56 1.04 0.00 9.60 -0.02 -1.26 -3.21 135.00 140.58 1aiw n PRO 23 Ca -0.06 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1aiw n PRO 23 Cb 0.59 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.03 0.00 0.00 3.45 -1.04 0.17 -4.81 114.28 113.08 1aiw n THR 24 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1aiw n THR 24 Cb 0.26 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.26 0.00 -2.91 -1.42 1.44 -0.87 -4.70 115.22 106.51 1aiw n HIS 25 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1aiw n HIS 25 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1aiw n HIS 25 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1aiw s ASN 26 N 0.00 6.94 0.59 4.39 3.84 0.44 -1.28 114.94 129.86 1aiw s ASN 26 Ca 0.00 1.16 -0.16 0.00 0.21 0.00 0.00 52.86 54.06 1aiw s ASN 26 Cb 0.00 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.22 1aiw s ASN 26 CO 0.00 -0.37 1.07 -0.70 -2.79 0.00 0.00 177.10 174.30 1aiw s GLU 27 N 2.05 3.30 0.22 0.43 2.12 -1.26 -2.89 118.70 122.67 1aiw s GLU 27 Ca 0.38 1.28 -0.32 0.00 0.36 0.00 0.00 54.97 56.67 1aiw s GLU 27 Cb -0.17 -2.03 -0.14 0.00 0.26 0.00 0.00 34.13 32.06 1aiw s GLU 27 CO 0.13 -0.83 1.44 0.00 -0.54 0.00 0.00 175.26 175.45 1aiw n ALA 28 N -1.90 1.08 -0.69 6.30 0.00 -1.12 -0.88 120.51 123.31 1aiw n ALA 28 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1aiw n ALA 28 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 2.41 1.03 3.86 0.00 0.00 0.57 -4.94 105.19 108.12 1aiw n GLY 29 Ca 0.13 0.00 -0.33 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 -0.21 3.90 0.43 1.61 -1.52 -0.06 -4.85 119.66 118.96 1aiw s GLN 30 Ca 0.00 0.40 -0.02 0.00 -1.95 0.00 0.00 55.36 53.79 1aiw s GLN 30 Cb 0.00 -2.76 -0.03 0.00 -0.22 0.00 0.00 33.01 30.00 1aiw s GLN 30 CO 0.00 0.38 0.68 -1.12 -0.25 0.00 0.00 175.29 174.98 1aiw s SER 31 N -2.06 6.17 -0.25 5.90 0.01 -1.26 -3.21 113.70 119.01 1aiw s SER 31 Ca 0.43 0.64 -0.21 0.00 1.31 0.00 0.00 55.95 58.12 1aiw s SER 31 Cb -0.13 -2.03 0.07 0.00 0.21 0.00 0.00 66.02 64.14 1aiw s SER 31 CO 0.20 -0.51 0.65 -0.51 0.41 0.00 0.00 173.24 173.48 1aiw s ILE 32 N -2.56 -0.00 0.22 1.44 -1.16 0.23 -4.74 121.20 114.62 1aiw s ILE 32 Ca 0.45 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.66 1aiw s ILE 32 Cb -0.10 -0.91 -0.04 0.00 0.61 0.00 0.00 42.46 42.02 1aiw s ILE 32 CO 0.40 0.00 0.15 -0.69 -2.81 0.00 0.00 174.94 172.00 1aiw s VAL 33 N 0.58 4.38 0.00 4.00 1.01 0.08 -0.32 120.40 130.13 1aiw s VAL 33 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1aiw s VAL 33 Cb -0.05 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1aiw s VAL 33 CO -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1aiw n TYR 34 N -0.80 0.00 -0.90 5.22 9.36 -1.04 -0.53 117.16 128.48 1aiw n TYR 34 Ca -0.08 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 60.97 1aiw n TYR 34 Cb 0.57 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.17 1aiw n TYR 34 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1aiw n LYS 35 N 0.00 2.07 0.00 2.98 5.02 -1.26 -4.51 118.16 122.46 1aiw n LYS 35 Ca 0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 1aiw n LYS 35 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 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 2.90 1.27 3.77 0.72 0.00 -1.26 -4.93 105.19 107.65 1aiw n GLY 36 Ca 0.44 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.07 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 6.85 -0.34 1.61 0.01 -1.26 -0.59 114.94 121.23 1aiw s ASN 37 Ca 0.00 2.37 -0.18 0.00 -0.71 0.00 0.00 52.86 54.34 1aiw s ASN 37 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1aiw s ASN 37 CO 0.00 -0.45 0.52 -0.22 -1.51 0.00 0.00 177.10 175.45 1aiw s LEU 38 N -1.99 4.29 0.43 0.60 2.96 0.43 -2.48 118.68 122.91 1aiw s LEU 38 Ca 0.51 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.56 1aiw s LEU 38 Cb -0.32 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1aiw s LEU 38 CO 0.42 -0.46 0.19 -0.31 -1.32 0.00 0.00 176.35 174.87 1aiw s TYR 39 N 2.41 2.46 -0.06 5.38 2.02 0.56 -0.57 117.35 129.55 1aiw s TYR 39 Ca 0.19 -0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 1aiw s TYR 39 Cb -0.15 -1.93 0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1aiw s TYR 39 CO 0.13 0.12 0.38 0.99 -1.57 0.00 0.00 175.55 175.60 1aiw s THR 40 N -2.64 0.03 -0.13 -0.71 2.01 0.46 -0.60 115.64 114.07 1aiw s THR 40 Ca 0.38 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1aiw s THR 40 Cb 0.03 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1aiw s THR 40 CO 0.21 -0.15 0.10 0.00 -0.69 0.00 0.00 174.62 174.10 1aiw s ALA 41 N -0.81 3.70 0.33 7.40 0.00 -1.20 -0.95 121.76 130.24 1aiw s ALA 41 Ca -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1aiw s ALA 41 Cb -0.04 -1.90 0.56 0.00 0.00 0.00 0.00 23.12 21.74 1aiw s ALA 41 CO 0.04 0.51 1.98 -2.95 0.00 0.00 0.00 175.76 175.34 1aiw h ASN 42 N 5.40 0.80 0.00 0.00 -0.00 -1.36 0.16 115.58 120.57 1aiw h ASN 42 Ca -0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 55.76 1aiw h ASN 42 Cb 1.21 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1aiw h ASN 42 CO 0.61 0.60 0.00 -2.67 -0.00 0.00 0.00 177.43 175.97 1aiw n TRP 43 N -4.41 0.00 -2.59 4.14 2.14 -1.26 -4.34 117.44 111.12 1aiw n TRP 43 Ca 0.07 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.21 1aiw n TRP 43 Cb 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.53 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 1.27 3.01 -0.22 -2.67 5.04 -1.26 -2.77 117.35 119.74 1aiw s TYR 44 Ca 0.00 1.06 -0.27 0.00 -2.44 0.00 0.00 57.07 55.42 1aiw s TYR 44 Cb 0.00 -3.85 0.10 0.00 0.35 0.00 0.00 41.96 38.56 1aiw s TYR 44 CO 0.00 -1.03 0.89 -0.08 -1.34 0.00 0.00 175.55 173.99 1aiw s THR 45 N 3.92 0.00 -0.08 4.34 -1.32 -1.14 -4.99 115.64 116.37 1aiw s THR 45 Ca 0.48 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.17 1aiw s THR 45 Cb -0.12 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.30 1aiw s THR 45 CO 0.19 0.00 1.18 0.00 -2.21 0.00 0.00 174.62 173.79 1aiw n ALA 46 N 1.82 2.82 -1.17 11.08 0.00 -1.26 -0.42 120.51 133.38 1aiw n ALA 46 Ca -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1aiw n ALA 46 Cb 0.56 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1aiw n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aiw n SER 47 N -0.06 0.00 -4.24 0.00 2.88 -1.26 -5.02 113.62 105.92 1aiw n SER 47 Ca 0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.28 1aiw n SER 47 Cb 0.99 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.32 1aiw n SER 47 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1aiw s VAL 48 N 0.74 3.48 -0.33 2.46 1.01 -1.26 -5.06 120.40 121.45 1aiw s VAL 48 Ca 0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 61.98 60.38 1aiw s VAL 48 Cb 0.00 -2.98 -0.14 0.00 0.00 0.00 0.00 36.38 33.26 1aiw s VAL 48 CO 0.00 -0.14 2.02 -2.65 0.00 0.00 0.00 175.10 174.32 1aiw n PRO 49 N 4.74 1.01 0.00 2.72 -0.02 -1.26 -0.94 135.00 141.25 1aiw n PRO 49 Ca -0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1aiw n PRO 49 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 5.77 0.65 1.79 -1.23 0.00 -1.26 -4.85 105.19 106.06 1aiw n GLY 50 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 1aiw n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aiw n SER 51 N 0.00 4.51 0.00 1.61 3.41 -0.12 -4.95 113.62 118.08 1aiw n SER 51 Ca 0.00 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1aiw n SER 51 Cb 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1aiw n SER 51 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1aiw n ASP 52 N 2.01 0.00 0.00 4.04 2.03 -1.26 -4.63 116.55 118.74 1aiw n ASP 52 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1aiw n ASP 52 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1aiw n ASP 52 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1aiw n SER 53 N -3.82 0.00 -0.07 1.67 7.64 -1.26 -1.48 113.62 116.29 1aiw n SER 53 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1aiw n SER 53 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1aiw n SER 53 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1aiw h SER 54 N 0.00 0.00 -4.06 6.43 4.64 -1.98 -3.48 113.55 115.10 1aiw h SER 54 Ca 0.00 -0.52 -0.48 0.00 -0.47 0.00 0.00 61.79 60.32 1aiw h SER 54 Cb 0.00 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.24 1aiw h SER 54 CO 0.00 0.98 0.24 0.26 -0.87 0.00 0.00 176.83 177.44 1aiw s TRP 55 N -2.11 2.24 -0.26 4.77 0.52 -0.55 -0.93 118.94 122.62 1aiw s TRP 55 Ca -0.17 1.32 -0.22 0.00 0.02 0.00 0.00 56.10 57.04 1aiw s TRP 55 Cb 0.01 -3.16 0.07 0.00 -1.15 0.00 0.00 33.47 29.24 1aiw s TRP 55 CO 0.45 -2.45 0.68 0.99 0.02 0.00 0.00 176.95 176.64 1aiw s THR 56 N -2.88 -0.00 0.06 2.01 2.01 -0.12 -4.58 115.64 112.14 1aiw s THR 56 Ca 0.64 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1aiw s THR 56 Cb -0.19 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1aiw s THR 56 CO 0.57 0.00 0.61 -1.58 -0.69 0.00 0.00 174.62 173.54 1aiw s GLN 57 N 0.57 4.29 -0.00 4.92 0.74 -1.26 -0.40 119.66 128.51 1aiw s GLN 57 Ca -0.02 0.81 0.05 0.00 0.05 0.00 0.00 55.36 56.25 1aiw s GLN 57 Cb -0.05 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 1aiw s GLN 57 CO -0.02 0.55 0.15 1.33 -0.55 0.00 0.00 175.29 176.74 1aiw n VAL 58 N 2.01 0.00 -0.80 1.34 0.24 0.27 -4.92 118.33 116.47 1aiw n VAL 58 Ca -0.08 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1aiw n VAL 58 Cb 0.50 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 1.63 -0.58 3.33 7.63 0.00 -0.97 -4.99 105.19 111.24 1aiw n GLY 59 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.45 -0.07 1.61 0.01 -1.26 -0.43 113.70 109.11 1aiw s SER 60 Ca 0.00 0.87 -0.22 0.00 1.31 0.00 0.00 55.95 57.91 1aiw s SER 60 Cb 0.00 0.88 -0.17 0.00 0.21 0.00 0.00 66.02 66.94 1aiw s SER 60 CO 0.00 -0.15 0.84 0.00 0.41 0.00 0.00 173.24 174.34