#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 0.88 0.09 3.03 0.00 -1.26 -4.88 107.32 105.19 1aiw s GLY 2 Ca 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 1aiw s GLY 2 CO 0.00 3.45 0.51 1.22 0.00 0.00 0.00 173.10 178.28 1aiw n ASP 3 N 9.98 -0.11 0.02 1.64 9.92 -1.26 -0.06 116.55 136.69 1aiw n ASP 3 Ca 0.24 0.56 -0.10 0.00 -0.53 0.00 0.00 54.79 54.96 1aiw n ASP 3 Cb 0.45 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.72 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 -2.69 0.00 -1.58 0.00 0.00 0.92 -4.52 120.51 112.64 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.26 0.00 0.23 -1.26 -4.38 115.26 107.59 1aiw n ASN 6 Ca 0.00 -1.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.01 1aiw n ASN 6 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.16 -2.03 -2.53 0.00 -1.26 -4.92 120.51 109.61 1aiw n ALA 7 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 53.44 52.85 1aiw n ALA 7 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.62 5.23 -0.23 0.00 -0.87 -1.26 -4.90 114.94 111.29 1aiw s ASN 8 Ca 0.10 0.12 -0.09 0.00 -1.57 0.00 0.00 52.86 51.42 1aiw s ASN 8 Cb -0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1aiw s ASN 8 CO 0.07 -2.47 0.11 -0.69 -2.57 0.00 0.00 177.10 171.55 1aiw s VAL 9 N 9.36 4.92 0.08 1.60 1.01 -1.26 -0.45 120.40 135.66 1aiw s VAL 9 Ca 0.68 0.03 -0.36 0.00 0.00 0.00 0.00 61.98 62.33 1aiw s VAL 9 Cb -0.11 -3.28 -0.18 0.00 0.00 0.00 0.00 36.38 32.81 1aiw s VAL 9 CO 0.16 0.37 1.00 0.00 0.00 0.00 0.00 175.10 176.63 1aiw n TYR 10 N 4.28 0.60 0.07 5.22 9.36 0.29 -0.13 117.16 136.84 1aiw n TYR 10 Ca -0.16 0.94 -0.07 0.00 3.32 0.00 0.00 57.90 61.93 1aiw n TYR 10 Cb 0.52 -2.12 0.11 0.00 -0.63 0.00 0.00 39.34 37.22 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 1.54 1.86 -1.24 2.98 -0.04 -1.26 -4.97 135.00 133.87 1aiw n PRO 11 Ca 0.19 -1.33 -0.37 0.00 -0.04 0.00 0.00 63.50 61.94 1aiw n PRO 11 Cb 0.15 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.09 4.38 -3.71 3.54 3.02 0.81 -4.81 115.26 118.40 1aiw n ASN 12 Ca 0.22 -2.63 -0.28 0.00 -0.03 0.00 0.00 54.58 51.86 1aiw n ASN 12 Cb 0.92 -1.33 0.26 0.00 -0.61 0.00 0.00 39.78 39.03 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 5.77 -2.78 -0.02 3.10 7.02 -1.26 -4.31 117.44 124.96 1aiw n TRP 13 Ca 0.53 -0.47 -0.03 0.00 -1.02 0.00 0.00 57.50 56.52 1aiw n TRP 13 Cb 0.31 -1.46 -0.03 0.00 -2.42 0.00 0.00 31.31 27.71 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1aiw n VAL 14 N -5.36 0.30 -0.02 -0.99 0.31 -1.23 -4.72 118.33 106.62 1aiw n VAL 14 Ca 0.08 -0.16 -0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1aiw n VAL 14 Cb 0.56 -0.83 -0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1aiw n VAL 14 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1aiw h SER 15 N 0.00 0.00 -0.49 4.52 0.87 -1.33 -3.50 113.55 113.62 1aiw h SER 15 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1aiw h SER 15 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1aiw h SER 15 CO -0.00 0.17 0.00 1.17 -0.53 0.00 0.00 176.83 177.63 1aiw n LYS 16 N -2.89 0.00 0.12 2.24 4.81 -1.18 -4.35 118.16 116.91 1aiw n LYS 16 Ca -0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1aiw n LYS 16 Cb 0.01 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.90 1aiw n LYS 16 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1aiw h ASP 17 N 0.00 0.75 -4.27 3.14 3.32 -1.95 -3.48 116.42 113.93 1aiw h ASP 17 Ca 0.00 -0.93 -0.46 0.00 0.02 0.00 0.00 57.03 55.67 1aiw h ASP 17 Cb 0.00 -0.24 0.14 0.00 0.22 0.00 0.00 39.33 39.44 1aiw h ASP 17 CO 0.00 1.73 0.41 0.26 -1.72 0.00 0.00 179.24 179.92 1aiw s TRP 18 N -2.58 2.15 -0.29 4.55 0.52 -1.26 -5.03 118.94 117.01 1aiw s TRP 18 Ca -0.12 0.50 0.09 0.00 0.02 0.00 0.00 56.10 56.60 1aiw s TRP 18 Cb 0.04 -3.85 0.47 0.00 -1.15 0.00 0.00 33.47 28.98 1aiw s TRP 18 CO 0.91 -2.31 1.18 0.00 0.02 0.00 0.00 176.95 176.75 1aiw n ALA 19 N -3.60 4.72 0.00 0.98 0.00 -1.26 -4.71 120.51 116.64 1aiw n ALA 19 Ca 0.12 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1aiw n ALA 19 Cb 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.70 0.00 0.00 0.00 0.00 -1.26 -5.18 105.19 98.05 1aiw n GLY 20 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 6.75 1.85 -0.02 0.00 -1.26 -5.16 105.19 107.35 1aiw n GLY 21 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1aiw n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aiw n GLN 22 N 0.00 -0.90 -4.21 1.61 3.00 -1.26 -5.03 117.38 110.58 1aiw n GLN 22 Ca 0.00 -0.98 -0.24 0.00 -0.01 0.00 0.00 57.00 55.77 1aiw n GLN 22 Cb 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 30.24 29.48 1aiw n GLN 22 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1aiw s PRO 23 N -4.38 2.52 0.00 -1.09 0.02 -1.26 -4.61 135.00 126.20 1aiw s PRO 23 Ca 0.36 -1.20 0.00 0.00 0.02 0.00 0.00 61.00 60.18 1aiw s PRO 23 Cb -0.01 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1aiw s PRO 23 CO 0.26 0.41 0.00 2.41 -0.33 0.00 0.00 177.00 179.75 1aiw n THR 24 N -0.70 0.00 0.00 0.99 -1.04 -1.26 -4.90 114.28 107.37 1aiw n THR 24 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1aiw n THR 24 Cb 0.57 0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -4.23 -1.42 1.44 -1.26 -4.85 115.22 104.90 1aiw n HIS 25 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1aiw n HIS 25 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 4.47 0.41 4.39 -0.87 -0.12 -0.81 114.94 122.41 1aiw s ASN 26 Ca 0.00 -0.35 0.05 0.00 -1.57 0.00 0.00 52.86 50.98 1aiw s ASN 26 Cb 0.00 -0.89 -0.05 0.00 -0.02 0.00 0.00 41.25 40.29 1aiw s ASN 26 CO 0.00 0.18 0.03 -1.61 -2.57 0.00 0.00 177.10 173.14 1aiw s GLU 27 N -2.18 1.93 -0.31 -0.60 2.02 -1.26 -1.24 118.70 117.05 1aiw s GLU 27 Ca 0.22 -2.13 -0.44 0.00 0.02 0.00 0.00 54.97 52.64 1aiw s GLU 27 Cb -0.11 -1.30 -0.19 0.00 0.10 0.00 0.00 34.13 32.62 1aiw s GLU 27 CO 0.14 -0.20 1.46 0.00 0.02 0.00 0.00 175.26 176.68 1aiw n ALA 28 N -0.95 -1.86 0.00 5.21 0.00 0.10 -0.37 120.51 122.64 1aiw n ALA 28 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1aiw n ALA 28 Cb 0.67 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 3.26 2.75 3.65 0.00 0.00 0.48 -4.94 105.19 110.38 1aiw n GLY 29 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.17 4.15 0.73 1.61 -0.21 0.50 -4.84 119.66 121.43 1aiw s GLN 30 Ca 0.00 1.24 -0.11 0.00 0.02 0.00 0.00 55.36 56.51 1aiw s GLN 30 Cb 0.00 -3.71 0.04 0.00 1.00 0.00 0.00 33.01 30.34 1aiw s GLN 30 CO 0.00 -0.79 1.11 -1.12 -2.12 0.00 0.00 175.29 172.37 1aiw s SER 31 N 1.54 5.10 -0.10 5.90 0.01 -1.26 -2.70 113.70 122.19 1aiw s SER 31 Ca 0.46 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.36 1aiw s SER 31 Cb -0.14 -1.64 0.11 0.00 0.21 0.00 0.00 66.02 64.55 1aiw s SER 31 CO 0.12 -1.53 0.88 -0.51 0.41 0.00 0.00 173.24 172.61 1aiw s ILE 32 N -3.40 0.00 0.20 1.44 2.07 -0.05 -4.81 121.20 116.66 1aiw s ILE 32 Ca 0.59 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.90 1aiw s ILE 32 Cb -0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1aiw s ILE 32 CO 0.50 0.00 0.07 -0.69 -1.91 0.00 0.00 174.94 172.90 1aiw s VAL 33 N -1.52 3.97 0.00 4.00 1.01 0.41 -0.37 120.40 127.90 1aiw s VAL 33 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1aiw s VAL 33 Cb -0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1aiw s VAL 33 CO 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 175.10 174.91 1aiw n TYR 34 N -0.52 0.00 -2.24 5.22 9.36 -0.09 -0.55 117.16 128.34 1aiw n TYR 34 Ca -0.08 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.81 1aiw n TYR 34 Cb 0.56 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.23 1aiw n TYR 34 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1aiw s LYS 35 N 3.66 2.98 0.00 2.98 1.02 -1.26 -4.29 119.74 124.83 1aiw s LYS 35 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1aiw s LYS 35 Cb 0.00 -5.27 0.00 0.00 -0.52 0.00 0.00 37.83 32.04 1aiw s LYS 35 CO 0.00 -3.21 0.00 0.41 -0.92 0.00 0.00 175.35 171.63 1aiw n GLY 36 N 6.16 0.75 3.77 -3.33 0.00 -1.26 -4.93 105.19 106.35 1aiw n GLY 36 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 6.47 -0.25 1.61 0.01 -1.26 -0.41 114.94 121.10 1aiw s ASN 37 Ca 0.00 2.45 -0.10 0.00 -0.71 0.00 0.00 52.86 54.50 1aiw s ASN 37 Cb 0.00 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1aiw s ASN 37 CO 0.00 -0.72 0.15 -0.22 -1.51 0.00 0.00 177.10 174.80 1aiw s LEU 38 N -2.44 3.93 0.39 0.60 2.96 0.17 -0.91 118.68 123.38 1aiw s LEU 38 Ca 0.57 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 1aiw s LEU 38 Cb -0.33 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 1aiw s LEU 38 CO 0.42 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 175.18 1aiw s TYR 39 N 1.38 2.28 -0.07 5.38 2.02 0.51 -0.64 117.35 128.20 1aiw s TYR 39 Ca 0.07 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 55.85 1aiw s TYR 39 Cb -0.15 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1aiw s TYR 39 CO 0.07 0.27 0.30 0.99 -1.57 0.00 0.00 175.55 175.61 1aiw s THR 40 N -2.92 0.03 0.25 -0.71 2.01 0.29 -0.87 115.64 113.71 1aiw s THR 40 Ca 0.33 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 1aiw s THR 40 Cb 0.09 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 1aiw s THR 40 CO 0.16 -0.13 0.72 0.00 -0.69 0.00 0.00 174.62 174.68 1aiw s ALA 41 N -0.53 3.39 -0.14 7.40 0.00 -1.10 -1.03 121.76 129.76 1aiw s ALA 41 Ca -0.06 0.13 0.13 0.00 0.00 0.00 0.00 51.96 52.15 1aiw s ALA 41 Cb -0.04 -2.80 -0.24 0.00 0.00 0.00 0.00 23.12 20.04 1aiw s ALA 41 CO 0.02 0.33 0.30 0.09 0.00 0.00 0.00 175.76 176.50 1aiw n ASN 42 N 0.45 0.63 0.00 0.00 5.03 -1.26 -0.39 115.26 119.72 1aiw n ASN 42 Ca -0.01 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1aiw n ASN 42 Cb 0.52 0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.63 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 -2.95 0.00 -3.65 3.10 2.14 -1.26 -4.38 117.44 110.44 1aiw n TRP 43 Ca -0.27 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.18 1aiw n TRP 43 Cb 1.10 0.22 -0.08 0.00 -0.81 0.00 0.00 31.31 31.74 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 -0.62 -0.83 -0.16 -2.67 6.14 -1.26 0.02 117.35 117.97 1aiw s TYR 44 Ca 0.00 1.86 -0.30 0.00 0.64 0.00 0.00 57.07 59.27 1aiw s TYR 44 Cb 0.00 0.38 0.13 0.00 0.42 0.00 0.00 41.96 42.89 1aiw s TYR 44 CO 0.00 -0.41 1.00 -0.08 0.64 0.00 0.00 175.55 176.70 1aiw s THR 45 N 0.85 0.00 -0.20 4.34 -1.32 -0.37 -4.82 115.64 114.11 1aiw s THR 45 Ca -0.04 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 1aiw s THR 45 Cb -0.05 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.35 1aiw s THR 45 CO -0.07 0.00 1.23 0.00 -2.21 0.00 0.00 174.62 173.57 1aiw n ALA 46 N 0.73 2.77 -1.73 11.08 0.00 -1.26 -0.95 120.51 131.15 1aiw n ALA 46 Ca -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.40 1aiw n ALA 46 Cb 0.58 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.60 0.00 -3.54 0.00 3.41 -1.26 -5.03 113.62 106.60 1aiw n SER 47 Ca -0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 1aiw n SER 47 Cb 0.87 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.69 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 1.02 -0.34 -0.27 -3.33 1.01 -1.26 -5.10 120.40 112.14 1aiw s VAL 48 Ca 0.00 0.01 -0.41 0.00 0.00 0.00 0.00 61.98 61.58 1aiw s VAL 48 Cb 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 36.38 35.62 1aiw s VAL 48 CO 0.00 -0.11 1.69 -2.65 0.00 0.00 0.00 175.10 174.03 1aiw n PRO 49 N 5.33 1.02 0.00 2.72 -0.02 -1.26 -0.75 135.00 142.04 1aiw n PRO 49 Ca -0.05 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1aiw n PRO 49 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.01 2.78 3.18 -1.23 0.00 -1.26 -4.97 105.19 107.71 1aiw n GLY 50 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 3.94 0.00 1.61 2.88 0.07 -4.89 113.62 117.23 1aiw n SER 51 Ca 0.00 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 1aiw n SER 51 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.84 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 8.12 0.00 0.00 -3.46 2.03 -1.26 -4.82 116.55 117.15 1aiw n ASP 52 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 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 2.55 -0.15 0.05 1.67 2.88 -1.26 -3.58 113.62 115.78 1aiw n SER 53 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1aiw n SER 53 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1aiw n SER 53 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1aiw h SER 54 N 7.51 -0.12 -0.00 -3.46 4.64 -1.90 -3.48 113.55 116.73 1aiw h SER 54 Ca 0.00 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1aiw h SER 54 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1aiw h SER 54 CO 0.00 0.30 0.00 0.79 -0.87 0.00 0.00 176.83 177.05 1aiw n TRP 55 N -4.96 0.00 -3.97 4.77 5.03 -1.23 -4.52 117.44 112.56 1aiw n TRP 55 Ca -0.09 0.00 -0.18 0.00 3.03 0.00 0.00 57.50 60.26 1aiw n TRP 55 Cb 0.24 -0.01 -0.16 0.00 -1.03 0.00 0.00 31.31 30.35 1aiw n TRP 55 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1aiw s THR 56 N -0.00 0.28 0.29 -0.99 2.01 -0.19 -4.82 115.64 112.22 1aiw s THR 56 Ca 0.00 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1aiw s THR 56 Cb -0.00 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 1aiw s THR 56 CO 0.00 0.17 1.07 -1.58 -0.69 0.00 0.00 174.62 173.59 1aiw s GLN 57 N 1.09 4.59 0.00 4.92 0.74 -1.26 -0.55 119.66 129.19 1aiw s GLN 57 Ca -0.09 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.03 1aiw s GLN 57 Cb -0.14 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1aiw s GLN 57 CO -0.02 0.20 0.00 1.33 -0.55 0.00 0.00 175.29 176.25 1aiw n VAL 58 N 1.02 0.00 0.00 1.34 0.24 0.18 -4.90 118.33 116.21 1aiw n VAL 58 Ca -0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1aiw n VAL 58 Cb 0.46 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 1.50 -0.60 3.55 7.63 0.00 -0.97 -4.99 105.19 111.31 1aiw n GLY 59 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.75 0.00 1.61 1.04 -1.26 -0.66 113.70 109.69 1aiw s SER 60 Ca 0.00 1.33 -0.25 0.00 0.48 0.00 0.00 55.95 57.51 1aiw s SER 60 Cb 0.00 1.29 -0.18 0.00 0.10 0.00 0.00 66.02 67.22 1aiw s SER 60 CO 0.00 -0.23 1.36 0.00 0.98 0.00 0.00 173.24 175.35