#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 -0.52 0.21 -5.12 0.00 -1.16 -4.99 107.32 95.75 1aiw s GLY 2 Ca 0.00 2.09 -0.00 0.00 0.00 0.00 0.00 44.72 46.81 1aiw s GLY 2 CO 0.00 1.78 1.06 1.22 0.00 0.00 0.00 173.10 177.16 1aiw n ASP 3 N 2.71 -0.11 -0.06 1.64 9.92 -1.26 0.25 116.55 129.64 1aiw n ASP 3 Ca -0.14 1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 55.16 1aiw n ASP 3 Cb 0.55 -0.41 -0.05 0.00 -0.64 0.00 0.00 41.12 40.58 1aiw n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aiw n ALA 5 N -2.28 0.00 -1.55 0.00 0.00 0.14 -4.26 120.51 112.55 1aiw n ALA 5 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 0.00 -3.05 0.00 0.23 -1.26 -2.98 115.26 108.21 1aiw n ASN 6 Ca 0.00 -1.00 -0.16 0.00 -0.53 0.00 0.00 54.58 52.89 1aiw n ASN 6 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 1aiw n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aiw n ALA 7 N 0.00 -0.78 -1.63 -2.53 0.00 -1.26 -4.89 120.51 109.42 1aiw n ALA 7 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.26 1aiw n ALA 7 Cb 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.61 4.25 -0.15 0.00 -0.87 -1.26 -4.80 114.94 108.50 1aiw s ASN 8 Ca 0.40 0.36 -0.13 0.00 -1.57 0.00 0.00 52.86 51.92 1aiw s ASN 8 Cb -0.01 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.64 1aiw s ASN 8 CO 0.28 -3.37 0.27 0.54 -2.57 0.00 0.00 177.10 172.26 1aiw s VAL 9 N 13.23 5.31 0.19 1.60 0.11 -1.26 -0.63 120.40 138.95 1aiw s VAL 9 Ca 0.91 0.51 -0.32 0.00 -2.93 0.00 0.00 61.98 60.15 1aiw s VAL 9 Cb -0.14 -3.60 -0.16 0.00 -1.53 0.00 0.00 36.38 30.95 1aiw s VAL 9 CO 0.14 0.43 1.09 0.00 -3.33 0.00 0.00 175.10 173.43 1aiw n TYR 10 N 3.28 1.17 -0.73 1.54 9.36 -0.08 -0.08 117.16 131.61 1aiw n TYR 10 Ca -0.13 0.71 -0.19 0.00 3.32 0.00 0.00 57.90 61.61 1aiw n TYR 10 Cb 0.52 -2.25 0.10 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 1.51 1.97 -1.26 2.98 -0.04 -1.26 -5.02 135.00 133.88 1aiw n PRO 11 Ca 0.14 -2.15 -0.38 0.00 -0.04 0.00 0.00 63.50 61.06 1aiw n PRO 11 Cb 0.26 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 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 -0.48 4.09 -4.35 3.54 3.02 0.88 -4.93 115.26 117.02 1aiw n ASN 12 Ca 0.42 -2.64 -0.33 0.00 -0.03 0.00 0.00 54.58 52.00 1aiw n ASN 12 Cb 1.07 -1.32 0.11 0.00 -0.61 0.00 0.00 39.78 39.04 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 6.00 -1.89 -0.09 3.10 5.03 -1.26 -4.50 117.44 123.83 1aiw n TRP 13 Ca 0.53 0.20 -0.08 0.00 3.03 0.00 0.00 57.50 61.17 1aiw n TRP 13 Cb 0.33 -1.72 -0.16 0.00 -1.03 0.00 0.00 31.31 28.73 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 -3.54 1.28 -4.28 -0.99 0.31 -1.24 -4.98 118.33 104.90 1aiw n VAL 14 Ca 0.05 -0.83 -0.31 0.00 -0.01 0.00 0.00 64.34 63.25 1aiw n VAL 14 Cb 0.55 -0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 32.95 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 -5.40 4.67 0.15 4.52 0.01 -0.02 -5.00 113.70 112.64 1aiw s SER 15 Ca -0.10 -0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.04 1aiw s SER 15 Cb 0.06 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 1aiw s SER 15 CO 0.83 0.22 -0.26 -0.54 0.41 0.00 0.00 173.24 173.90 1aiw s LYS 16 N -1.94 1.45 0.40 12.44 1.02 -1.26 -1.98 119.74 129.88 1aiw s LYS 16 Ca 0.21 -1.40 0.15 0.00 0.02 0.00 0.00 55.97 54.95 1aiw s LYS 16 Cb -0.11 -1.89 0.86 0.00 -0.52 0.00 0.00 37.83 36.17 1aiw s LYS 16 CO 0.13 0.44 1.88 -0.44 -0.92 0.00 0.00 175.35 176.44 1aiw h ASP 17 N 3.67 0.00 -5.07 2.83 3.32 -1.87 -3.45 116.42 115.86 1aiw h ASP 17 Ca -0.50 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 1aiw h ASP 17 Cb 1.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1aiw h ASP 17 CO 0.42 0.30 -0.12 -1.66 -1.72 0.00 0.00 179.24 176.46 1aiw s TRP 18 N -4.24 -0.19 0.13 4.55 1.48 -1.26 -5.04 118.94 114.37 1aiw s TRP 18 Ca -0.03 -0.04 -0.26 0.00 -1.06 0.00 0.00 56.10 54.72 1aiw s TRP 18 Cb 0.14 0.21 -0.06 0.00 -1.16 0.00 0.00 33.47 32.60 1aiw s TRP 18 CO 0.70 -0.63 1.33 0.00 -4.06 0.00 0.00 176.95 174.29 1aiw n ALA 19 N 0.09 -0.53 1.34 2.67 0.00 -1.26 -0.62 120.51 122.20 1aiw n ALA 19 Ca -0.17 0.70 0.09 0.00 0.00 0.00 0.00 53.44 54.06 1aiw n ALA 19 Cb 0.62 -0.08 0.34 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.21 0.05 3.84 0.00 0.00 -1.26 -4.91 105.19 101.71 1aiw n GLY 20 Ca 0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.43 2.30 0.59 -0.02 0.00 0.21 -5.05 107.32 103.92 1aiw s GLY 21 Ca 0.28 0.14 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 1aiw s GLY 21 CO 0.22 0.37 1.14 1.20 0.00 0.00 0.00 173.10 176.03 1aiw s GLN 22 N -3.19 3.08 0.87 2.90 -0.21 -1.26 -4.78 119.66 117.06 1aiw s GLN 22 Ca 0.57 1.59 -0.12 0.00 0.02 0.00 0.00 55.36 57.42 1aiw s GLN 22 Cb -0.10 -1.97 0.08 0.00 1.00 0.00 0.00 33.01 32.03 1aiw s GLN 22 CO 0.18 -1.06 0.94 -2.30 -2.12 0.00 0.00 175.29 170.93 1aiw n PRO 23 N -1.72 -0.13 0.00 2.91 -0.02 -1.26 -4.44 135.00 130.34 1aiw n PRO 23 Ca 0.12 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1aiw n PRO 23 Cb 0.51 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1aiw n PRO 23 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1aiw n THR 24 N -3.60 0.00 -3.60 3.45 5.66 -0.84 -4.96 114.28 110.40 1aiw n THR 24 Ca 0.11 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.14 1aiw n THR 24 Cb 0.52 0.12 -0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1aiw n THR 24 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1aiw s HIS 25 N 0.00 -0.02 -0.42 1.09 -3.43 -1.08 -4.59 115.29 106.85 1aiw s HIS 25 Ca 0.00 -0.03 -0.01 0.00 -0.80 0.00 0.00 55.06 54.22 1aiw s HIS 25 Cb 0.00 0.52 0.11 0.00 -1.43 0.00 0.00 32.58 31.78 1aiw s HIS 25 CO 0.00 -0.12 0.19 1.21 -2.00 0.00 0.00 174.74 174.03 1aiw s ASN 26 N -3.04 5.09 0.97 7.38 3.84 0.35 -0.84 114.94 128.70 1aiw s ASN 26 Ca 0.15 -2.19 -0.12 0.00 0.21 0.00 0.00 52.86 50.91 1aiw s ASN 26 Cb 0.06 -1.77 0.17 0.00 -0.55 0.00 0.00 41.25 39.16 1aiw s ASN 26 CO -0.05 -0.47 1.09 -0.70 -2.79 0.00 0.00 177.10 174.17 1aiw s GLU 27 N 0.89 0.64 0.11 0.43 2.12 -1.26 -2.92 118.70 118.71 1aiw s GLU 27 Ca 0.10 0.92 -0.35 0.00 0.36 0.00 0.00 54.97 56.00 1aiw s GLU 27 Cb -0.22 -1.73 -0.17 0.00 0.26 0.00 0.00 34.13 32.27 1aiw s GLU 27 CO -0.05 -2.69 1.21 0.00 -0.54 0.00 0.00 175.26 173.19 1aiw n ALA 28 N -4.20 -1.34 0.00 6.30 0.00 0.14 -0.82 120.51 120.59 1aiw n ALA 28 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1aiw n ALA 28 Cb 0.55 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 2.17 2.84 3.84 0.00 0.00 0.54 -4.95 105.19 109.63 1aiw n GLY 29 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 3.71 0.36 1.61 -1.52 -0.00 -4.83 119.66 118.99 1aiw s GLN 30 Ca 0.00 0.93 0.09 0.00 -1.95 0.00 0.00 55.36 54.42 1aiw s GLN 30 Cb 0.00 -2.10 -0.06 0.00 -0.22 0.00 0.00 33.01 30.63 1aiw s GLN 30 CO 0.00 -0.47 -0.01 -1.12 -0.25 0.00 0.00 175.29 173.44 1aiw s SER 31 N -3.40 3.99 0.11 5.90 0.01 -1.26 -1.41 113.70 117.64 1aiw s SER 31 Ca 0.58 -1.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.46 1aiw s SER 31 Cb -0.11 -0.44 0.08 0.00 0.21 0.00 0.00 66.02 65.76 1aiw s SER 31 CO 0.40 -0.29 0.70 -0.51 0.41 0.00 0.00 173.24 173.95 1aiw s ILE 32 N -2.59 0.00 0.14 1.44 2.07 -0.15 -4.77 121.20 117.34 1aiw s ILE 32 Ca 0.35 -0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.63 1aiw s ILE 32 Cb 0.03 -1.06 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 1aiw s ILE 32 CO 0.18 0.00 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.35 1aiw s VAL 33 N -3.55 2.81 -0.28 4.00 1.01 0.20 -0.43 120.40 124.16 1aiw s VAL 33 Ca 0.03 -1.62 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 1aiw s VAL 33 Cb -0.01 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.15 1aiw s VAL 33 CO -0.11 0.03 0.80 -0.47 0.00 0.00 0.00 175.10 175.35 1aiw s TYR 34 N -1.31 -0.81 -1.03 5.22 5.04 0.11 -0.91 117.35 123.65 1aiw s TYR 34 Ca 0.19 1.77 -0.04 0.00 -2.44 0.00 0.00 57.07 56.56 1aiw s TYR 34 Cb -0.10 0.43 0.03 0.00 0.35 0.00 0.00 41.96 42.67 1aiw s TYR 34 CO 0.11 -0.40 0.20 1.63 -1.34 0.00 0.00 175.55 175.75 1aiw n LYS 35 N 3.36 -2.78 0.00 4.97 5.02 -1.26 -0.51 118.16 126.97 1aiw n LYS 35 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1aiw n LYS 35 Cb 0.57 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 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 -0.92 3.06 3.82 0.72 0.00 -1.26 -5.02 105.19 105.59 1aiw n GLY 36 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.19 7.04 -0.14 1.61 0.01 0.33 -0.57 114.94 122.02 1aiw s ASN 37 Ca 0.00 1.42 -0.17 0.00 -0.71 0.00 0.00 52.86 53.40 1aiw s ASN 37 Cb 0.00 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1aiw s ASN 37 CO 0.00 0.00 0.41 -0.22 -1.51 0.00 0.00 177.10 175.78 1aiw s LEU 38 N -2.09 4.25 0.26 0.60 2.96 0.43 -0.72 118.68 124.38 1aiw s LEU 38 Ca 0.44 0.68 0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1aiw s LEU 38 Cb -0.16 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.90 1aiw s LEU 38 CO 0.21 0.02 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.90 1aiw s TYR 39 N 0.66 1.80 -0.04 5.38 1.51 0.43 -0.67 117.35 126.43 1aiw s TYR 39 Ca 0.22 -0.77 -0.09 0.00 -1.01 0.00 0.00 57.07 55.42 1aiw s TYR 39 Cb -0.14 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1aiw s TYR 39 CO 0.08 0.17 0.21 0.99 -1.11 0.00 0.00 175.55 175.89 1aiw s THR 40 N -3.15 0.04 0.17 -0.71 2.01 0.27 -0.97 115.64 113.31 1aiw s THR 40 Ca 0.29 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 1aiw s THR 40 Cb 0.04 -0.42 -0.07 0.00 0.01 0.00 0.00 72.50 72.06 1aiw s THR 40 CO 0.10 -0.19 0.62 0.00 -0.69 0.00 0.00 174.62 174.46 1aiw s ALA 41 N -0.72 3.51 -0.14 7.40 0.00 -0.50 -1.40 121.76 129.91 1aiw s ALA 41 Ca -0.08 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1aiw s ALA 41 Cb -0.05 -2.65 -0.23 0.00 0.00 0.00 0.00 23.12 20.19 1aiw s ALA 41 CO 0.02 0.40 0.27 0.09 0.00 0.00 0.00 175.76 176.54 1aiw n ASN 42 N 0.82 1.56 0.00 0.00 5.03 -1.26 -0.34 115.26 121.07 1aiw n ASN 42 Ca -0.04 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1aiw n ASN 42 Cb 0.51 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1aiw n ASN 42 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 1aiw n TRP 43 N -3.25 0.00 -3.66 3.10 2.14 -1.26 -4.55 117.44 109.96 1aiw n TRP 43 Ca -0.32 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.16 1aiw n TRP 43 Cb 1.05 0.06 -0.08 0.00 -0.81 0.00 0.00 31.31 31.53 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 -0.20 -0.86 -0.17 -2.67 6.14 -1.26 0.26 117.35 118.59 1aiw s TYR 44 Ca 0.00 1.83 -0.29 0.00 0.64 0.00 0.00 57.07 59.25 1aiw s TYR 44 Cb 0.00 0.45 0.12 0.00 0.42 0.00 0.00 41.96 42.94 1aiw s TYR 44 CO 0.00 -0.43 0.95 -0.08 0.64 0.00 0.00 175.55 176.62 1aiw s THR 45 N 1.21 0.00 -0.02 4.34 -1.32 -1.15 -4.90 115.64 113.79 1aiw s THR 45 Ca -0.07 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 1aiw s THR 45 Cb -0.06 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1aiw s THR 45 CO -0.12 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.17 1aiw n ALA 46 N 1.09 1.77 -1.72 11.08 0.00 -1.26 -0.50 120.51 130.97 1aiw n ALA 46 Ca -0.12 -1.17 -0.30 0.00 0.00 0.00 0.00 53.44 51.85 1aiw n ALA 46 Cb 0.57 -0.26 0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.08 5.21 0.15 0.00 0.15 -1.26 -4.98 113.70 111.89 1aiw s SER 47 Ca 0.06 1.31 -0.31 0.00 0.70 0.00 0.00 55.95 57.70 1aiw s SER 47 Cb 0.05 -2.13 -0.10 0.00 -1.71 0.00 0.00 66.02 62.14 1aiw s SER 47 CO 0.01 -1.52 1.68 -0.69 1.20 0.00 0.00 173.24 173.92 1aiw s VAL 48 N -3.22 2.55 -0.26 4.45 1.01 -1.26 -4.85 120.40 118.82 1aiw s VAL 48 Ca 0.59 0.26 -0.41 0.00 0.00 0.00 0.00 61.98 62.42 1aiw s VAL 48 Cb -0.13 -3.17 -0.17 0.00 0.00 0.00 0.00 36.38 32.91 1aiw s VAL 48 CO 0.53 0.01 1.59 -2.65 0.00 0.00 0.00 175.10 174.59 1aiw n PRO 49 N 4.70 0.77 0.00 2.72 -0.02 -1.26 -0.25 135.00 141.65 1aiw n PRO 49 Ca 0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1aiw n PRO 49 Cb 0.38 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.67 3.15 3.26 -1.23 0.00 -1.26 -4.97 105.19 107.81 1aiw n GLY 50 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 0.10 3.96 0.00 1.61 2.88 0.65 -4.90 113.62 117.91 1aiw n SER 51 Ca 0.00 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1aiw n SER 51 Cb 0.00 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 1aiw n SER 51 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1aiw n ASP 52 N 8.59 0.00 0.00 -3.46 2.03 -1.26 -4.63 116.55 117.82 1aiw n ASP 52 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1aiw n ASP 52 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1aiw n SER 53 N 1.30 0.00 0.08 1.67 2.88 -1.26 -3.34 113.62 114.96 1aiw n SER 53 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1aiw n SER 53 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1aiw n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1aiw n SER 54 N 1.34 -1.43 0.00 -3.46 3.41 -1.26 -5.00 113.62 107.22 1aiw n SER 54 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1aiw n SER 54 Cb 0.00 1.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 1aiw n SER 54 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1aiw n TRP 55 N -2.98 0.00 -3.76 7.33 7.02 -1.21 -4.60 117.44 119.24 1aiw n TRP 55 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 1aiw n TRP 55 Cb 0.00 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.75 1aiw n TRP 55 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1aiw s THR 56 N 0.00 -0.04 0.31 -0.99 2.01 -0.49 -4.80 115.64 111.63 1aiw s THR 56 Ca 0.00 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1aiw s THR 56 Cb 0.00 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 1aiw s THR 56 CO 0.00 0.07 1.10 -1.58 -0.69 0.00 0.00 174.62 173.52 1aiw s GLN 57 N 1.07 4.52 0.00 4.92 0.74 -1.26 -0.56 119.66 129.08 1aiw s GLN 57 Ca -0.08 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1aiw s GLN 57 Cb -0.11 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1aiw s GLN 57 CO -0.05 0.11 0.14 1.33 -0.55 0.00 0.00 175.29 176.26 1aiw n VAL 58 N 0.91 0.00 -0.47 1.34 0.24 0.16 -4.90 118.33 115.60 1aiw n VAL 58 Ca 0.00 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1aiw n VAL 58 Cb 0.46 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 0.45 -0.28 3.34 7.63 0.00 -1.15 -4.97 105.19 110.20 1aiw n GLY 59 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.00 -0.32 -0.17 1.61 1.04 -1.26 -0.43 113.70 110.17 1aiw s SER 60 Ca 0.00 0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 1aiw s SER 60 Cb 0.00 0.44 -0.14 0.00 0.10 0.00 0.00 66.02 66.42 1aiw s SER 60 CO 0.00 -0.66 0.17 0.00 0.98 0.00 0.00 173.24 173.73