#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aww n SER 2 N 0.00 5.59 -3.84 1.61 7.64 -1.26 -5.01 113.62 118.36 1aww n SER 2 Ca 0.00 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.02 1aww n SER 2 Cb 0.00 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 1aww n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aww s MET 3 N -3.66 0.78 -0.10 1.43 0.23 -1.26 -5.14 119.30 111.58 1aww s MET 3 Ca 0.54 -0.78 -0.19 0.00 -1.03 0.00 0.00 55.69 54.23 1aww s MET 3 Cb 0.43 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 34.01 1aww s MET 3 CO 0.00 -0.24 0.52 0.45 -2.03 0.00 0.00 175.02 173.72 1aww s SER 4 N -2.48 6.75 -0.16 -1.18 0.15 -1.26 -4.96 113.70 110.56 1aww s SER 4 Ca -0.00 0.89 -0.05 0.00 0.70 0.00 0.00 55.95 57.49 1aww s SER 4 Cb 0.02 -2.31 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1aww s SER 4 CO -0.07 -0.01 -0.18 0.41 1.20 0.00 0.00 173.24 174.58 1aww n THR 5 N 3.64 0.90 -3.19 6.45 -1.04 -1.26 -5.09 114.28 114.69 1aww n THR 5 Ca -0.06 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1aww n THR 5 Cb 0.52 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1aww n THR 5 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1aww n SER 6 N -3.44 -1.65 -4.58 8.00 2.88 -1.26 -4.35 113.62 109.22 1aww n SER 6 Ca -0.31 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.82 1aww n SER 6 Cb 0.75 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.15 1aww n SER 6 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1aww s GLU 7 N 0.00 3.73 0.00 -1.46 2.02 -1.26 -5.04 118.70 116.68 1aww s GLU 7 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1aww s GLU 7 Cb 0.00 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1aww s GLU 7 CO 0.00 -0.76 0.00 1.47 0.02 0.00 0.00 175.26 175.99 1aww n LEU 8 N 6.16 0.00 -3.52 1.80 -0.00 -1.26 -5.15 117.00 115.03 1aww n LEU 8 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1aww n LEU 8 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 1aww n LEU 8 CO 0.50 -0.24 0.55 -0.75 -0.00 0.00 0.00 177.39 177.45 1aww s LYS 9 N -0.97 0.39 0.18 1.47 2.47 -1.26 -5.10 119.74 116.91 1aww s LYS 9 Ca 0.00 0.87 -0.03 0.00 -1.56 0.00 0.00 55.97 55.25 1aww s LYS 9 Cb 0.00 0.42 0.05 0.00 -1.46 0.00 0.00 37.83 36.83 1aww s LYS 9 CO 0.00 -0.12 0.11 0.36 0.16 0.00 0.00 175.35 175.86 1aww n LYS 10 N 4.73 -2.24 -3.67 4.03 0.00 -1.26 -4.21 118.16 115.53 1aww n LYS 10 Ca -0.12 -0.18 -0.09 0.00 -0.00 0.00 0.00 58.31 57.91 1aww n LYS 10 Cb 0.53 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.03 35.30 1aww n LYS 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1aww s VAL 11 N -1.11 0.00 0.57 0.58 -7.23 -1.04 -3.68 120.40 108.49 1aww s VAL 11 Ca 0.08 -0.58 0.10 0.00 -1.81 0.00 0.00 61.98 59.77 1aww s VAL 11 Cb -0.01 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.47 1aww s VAL 11 CO 0.07 -0.02 0.78 -0.69 -0.31 0.00 0.00 175.10 174.92 1aww s VAL 12 N -3.85 2.16 0.02 1.32 1.01 -0.75 0.10 120.40 120.42 1aww s VAL 12 Ca 0.07 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1aww s VAL 12 Cb -0.03 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1aww s VAL 12 CO -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 175.10 174.83 1aww s ALA 13 N -2.66 2.09 -0.16 5.51 0.00 0.32 -1.39 121.76 125.48 1aww s ALA 13 Ca 0.61 -1.15 0.13 0.00 0.00 0.00 0.00 51.96 51.55 1aww s ALA 13 Cb -0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 23.12 22.40 1aww s ALA 13 CO 0.38 0.50 0.04 1.28 0.00 0.00 0.00 175.76 177.96 1aww n LEU 14 N 2.08 0.15 -4.16 0.00 4.77 0.28 -1.43 117.00 118.70 1aww n LEU 14 Ca -0.16 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.68 1aww n LEU 14 Cb 0.52 0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 1aww n LEU 14 CO 0.23 0.41 -0.08 -0.31 -1.33 0.00 0.00 177.39 176.31 1aww s TYR 15 N -2.38 1.07 0.59 -1.77 2.02 -1.24 -4.62 117.35 111.02 1aww s TYR 15 Ca -0.09 -1.27 -0.10 0.00 -0.37 0.00 0.00 57.07 55.24 1aww s TYR 15 Cb 0.05 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.20 1aww s TYR 15 CO 0.63 -0.82 0.98 -0.51 -1.57 0.00 0.00 175.55 174.26 1aww s ASP 16 N -3.17 6.26 -0.43 2.29 1.11 -1.25 -3.65 116.67 117.83 1aww s ASP 16 Ca 0.35 1.33 0.02 0.00 0.18 0.00 0.00 52.55 54.43 1aww s ASP 16 Cb 0.04 -2.43 0.23 0.00 1.07 0.00 0.00 42.92 41.83 1aww s ASP 16 CO 0.15 -0.80 0.99 0.00 1.18 0.00 0.00 175.17 176.69 1aww n TYR 17 N -2.58 -2.26 -1.91 4.23 9.36 -1.26 -4.84 117.16 117.89 1aww n TYR 17 Ca 0.05 -1.21 -0.34 0.00 3.32 0.00 0.00 57.90 59.72 1aww n TYR 17 Cb 0.54 1.35 0.04 0.00 -0.63 0.00 0.00 39.34 40.64 1aww n TYR 17 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1aww s MET 18 N 0.62 2.90 0.90 2.98 0.23 -1.26 -3.22 119.30 122.45 1aww s MET 18 Ca 0.29 1.60 -0.11 0.00 -1.03 0.00 0.00 55.69 56.43 1aww s MET 18 Cb 0.16 -1.95 0.13 0.00 -1.53 0.00 0.00 34.83 31.65 1aww s MET 18 CO -0.14 -1.21 1.09 -1.25 -2.03 0.00 0.00 175.02 171.49 1aww s PRO 19 N -3.67 1.24 -0.04 3.16 0.05 -1.26 -4.95 135.00 129.53 1aww s PRO 19 Ca 0.72 1.01 0.00 0.00 0.05 0.00 0.00 61.00 62.78 1aww s PRO 19 Cb -0.25 -1.79 -0.03 0.00 0.05 0.00 0.00 34.50 32.48 1aww s PRO 19 CO 0.36 -2.31 -0.04 -1.33 0.05 0.00 0.00 177.00 173.73 1aww n MET 20 N -3.95 0.11 0.01 4.56 2.81 -1.26 -4.96 117.12 114.43 1aww n MET 20 Ca 0.08 0.03 -0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1aww n MET 20 Cb 0.54 -1.07 -0.00 0.00 -0.71 0.00 0.00 33.22 31.98 1aww n MET 20 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1aww n ASN 21 N -2.65 0.45 0.00 7.83 3.02 -1.26 -5.07 115.26 117.58 1aww n ASN 21 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1aww n ASN 21 Cb 0.58 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1aww n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aww n ALA 22 N -2.92 0.00 0.37 5.41 0.00 -1.26 -5.00 120.51 117.11 1aww n ALA 22 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1aww n ALA 22 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 1aww n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1aww h ASN 23 N 0.00 -0.86 -2.14 0.00 2.35 -1.97 -3.44 115.58 109.52 1aww h ASN 23 Ca 0.00 0.04 -0.62 0.00 -0.55 0.00 0.00 56.30 55.17 1aww h ASN 23 Cb 0.00 0.24 0.13 0.00 0.05 0.00 0.00 38.32 38.74 1aww h ASN 23 CO 0.00 -0.58 -0.33 0.47 -1.65 0.00 0.00 177.43 175.34 1aww n ASP 24 N -5.50 -0.56 -4.92 5.81 8.00 -1.26 -2.34 116.55 115.77 1aww n ASP 24 Ca -0.13 1.00 -0.27 0.00 0.71 0.00 0.00 54.79 56.10 1aww n ASP 24 Cb 0.39 -1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 1aww n ASP 24 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1aww s LEU 25 N 1.77 4.10 -0.89 0.64 2.96 -1.00 -4.39 118.68 121.88 1aww s LEU 25 Ca 0.62 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.85 1aww s LEU 25 Cb -0.68 -3.34 0.09 0.00 0.50 0.00 0.00 46.19 42.77 1aww s LEU 25 CO 0.58 -0.17 1.19 -1.10 -1.32 0.00 0.00 176.35 175.53 1aww s GLN 26 N -3.70 3.48 0.00 1.98 -0.21 -1.26 -4.07 119.66 115.87 1aww s GLN 26 Ca 0.41 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1aww s GLN 26 Cb -0.10 -4.86 0.00 0.00 1.00 0.00 0.00 33.01 29.05 1aww s GLN 26 CO 0.31 -1.92 0.00 1.28 -2.12 0.00 0.00 175.29 172.84 1aww n LEU 27 N 7.57 0.00 0.00 2.90 4.32 -1.20 -4.90 117.00 125.70 1aww n LEU 27 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1aww n LEU 27 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1aww n LEU 27 CO 0.58 -0.38 0.00 0.54 -1.22 0.00 0.00 177.39 176.91 1aww n ARG 28 N -0.77 0.00 -3.89 3.23 1.74 -1.24 -4.10 116.66 111.64 1aww n ARG 28 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1aww n ARG 28 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1aww n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1aww s LYS 29 N -0.48 3.37 0.00 5.56 2.20 -1.25 -3.59 119.74 125.55 1aww s LYS 29 Ca 0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1aww s LYS 29 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1aww s LYS 29 CO 0.00 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1aww n GLY 30 N 4.81 3.22 3.81 5.54 0.00 -0.51 -4.98 105.19 117.07 1aww n GLY 30 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1aww n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aww s ASP 31 N -0.44 5.41 0.34 1.61 2.15 -1.26 -4.52 116.67 119.96 1aww s ASP 31 Ca 0.00 1.72 0.08 0.00 0.43 0.00 0.00 52.55 54.77 1aww s ASP 31 Cb 0.00 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 40.04 1aww s ASP 31 CO 0.00 -1.42 -0.05 -1.61 -0.17 0.00 0.00 175.17 171.92 1aww s GLU 32 N -4.68 1.78 0.05 4.34 8.01 -1.26 0.12 118.70 127.05 1aww s GLU 32 Ca 0.60 -1.94 0.01 0.00 0.01 0.00 0.00 54.97 53.65 1aww s GLU 32 Cb -0.15 -1.50 -0.00 0.00 -4.31 0.00 0.00 34.13 28.17 1aww s GLU 32 CO 0.49 0.04 0.03 0.66 0.01 0.00 0.00 175.26 176.49 1aww n TYR 33 N -0.78 -0.05 -4.72 1.61 4.01 0.11 -4.59 117.16 112.75 1aww n TYR 33 Ca -0.05 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.90 57.01 1aww n TYR 33 Cb 0.65 0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.54 1aww n TYR 33 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1aww s PHE 34 N -1.97 2.73 -0.11 -0.72 0.08 0.75 -2.49 117.98 116.23 1aww s PHE 34 Ca 0.04 -1.02 -0.16 0.00 0.12 0.00 0.00 56.93 55.90 1aww s PHE 34 Cb 0.00 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1aww s PHE 34 CO 0.03 -0.44 0.41 0.42 -0.10 0.00 0.00 175.22 175.54 1aww s ILE 35 N 0.65 5.20 -0.11 0.64 -1.09 -1.26 -0.25 121.20 124.98 1aww s ILE 35 Ca -0.09 0.81 0.06 0.00 -2.23 0.00 0.00 60.65 59.21 1aww s ILE 35 Cb -0.16 -3.74 -0.11 0.00 -1.58 0.00 0.00 42.46 36.87 1aww s ILE 35 CO 0.02 0.38 -0.01 0.18 -1.23 0.00 0.00 174.94 174.29 1aww n LEU 36 N 3.38 0.89 -3.63 2.97 4.77 -1.21 -4.58 117.00 119.59 1aww n LEU 36 Ca -0.10 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1aww n LEU 36 Cb 0.52 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1aww n LEU 36 CO 0.41 0.39 0.80 -0.70 -1.33 0.00 0.00 177.39 176.96 1aww s GLU 37 N -2.24 0.46 -0.07 3.23 2.12 -1.24 -5.02 118.70 115.94 1aww s GLU 37 Ca -0.09 0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.79 1aww s GLU 37 Cb 0.03 0.22 0.42 0.00 0.26 0.00 0.00 34.13 35.07 1aww s GLU 37 CO 0.37 -0.07 1.26 -0.85 -0.54 0.00 0.00 175.26 175.43 1aww n GLU 38 N 1.85 2.63 -2.48 4.30 0.28 -1.26 -1.92 120.64 124.03 1aww n GLU 38 Ca -0.12 -1.66 -0.01 0.00 -0.16 0.00 0.00 57.16 55.21 1aww n GLU 38 Cb 0.56 -1.65 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 1aww n GLU 38 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1aww n SER 39 N 0.54 -0.99 -4.35 -1.84 7.64 -1.26 -2.09 113.62 111.27 1aww n SER 39 Ca 0.15 0.45 -0.33 0.00 1.01 0.00 0.00 58.87 60.15 1aww n SER 39 Cb 0.58 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 1aww n SER 39 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1aww n ASN 40 N -1.48 0.44 -2.36 6.43 6.94 -1.26 -4.89 115.26 119.08 1aww n ASN 40 Ca 0.00 -1.27 -0.03 0.00 -0.02 0.00 0.00 54.58 53.26 1aww n ASN 40 Cb 0.48 -1.58 0.02 0.00 -2.36 0.00 0.00 39.78 36.34 1aww n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aww n LEU 41 N -4.47 0.00 -0.12 -4.53 -0.00 -0.89 -5.05 117.00 101.95 1aww n LEU 41 Ca -0.25 -1.19 -0.10 0.00 -0.00 0.00 0.00 56.01 54.48 1aww n LEU 41 Cb 0.65 2.04 -0.02 0.00 -0.00 0.00 0.00 43.42 46.09 1aww n LEU 41 CO 0.87 -0.40 0.88 -0.65 -0.00 0.00 0.00 177.39 178.09 1aww h PRO 42 N 0.00 0.55 -7.06 1.47 0.11 -1.90 -3.43 132.00 121.74 1aww h PRO 42 Ca -0.19 -0.11 -0.45 0.00 0.11 0.00 0.00 66.00 65.36 1aww h PRO 42 Cb 0.78 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1aww h PRO 42 CO 0.25 0.56 0.36 -1.58 -0.21 0.00 0.00 178.00 177.38 1aww s TRP 43 N -5.43 3.20 0.08 0.65 0.52 -1.26 0.96 118.94 117.65 1aww s TRP 43 Ca -0.13 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.59 1aww s TRP 43 Cb 0.09 -2.93 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 1aww s TRP 43 CO 0.75 -0.37 0.00 0.91 0.02 0.00 0.00 176.95 178.26 1aww n TRP 44 N -0.75 0.07 -3.34 -1.98 7.02 0.74 -4.48 117.44 114.71 1aww n TRP 44 Ca 0.08 -0.38 -0.26 0.00 -1.02 0.00 0.00 57.50 55.92 1aww n TRP 44 Cb 0.53 -0.05 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 1aww n TRP 44 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1aww n ARG 45 N -0.23 0.80 -4.19 -0.99 0.63 -0.81 -2.79 116.66 109.08 1aww n ARG 45 Ca -0.03 -3.46 -0.27 0.00 -0.92 0.00 0.00 57.85 53.17 1aww n ARG 45 Cb 0.10 -1.57 -0.05 0.00 0.45 0.00 0.00 32.46 31.38 1aww n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aww s ALA 46 N -0.90 3.94 0.21 5.13 0.00 -1.15 -3.36 121.76 125.64 1aww s ALA 46 Ca 0.34 -1.49 0.10 0.00 0.00 0.00 0.00 51.96 50.91 1aww s ALA 46 Cb 0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1aww s ALA 46 CO -0.14 -0.22 -0.13 1.03 0.00 0.00 0.00 175.76 176.30 1aww s ARG 47 N -4.01 1.90 0.00 0.00 0.52 0.65 -1.48 118.95 116.54 1aww s ARG 47 Ca 0.31 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 1aww s ARG 47 Cb 0.02 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1aww s ARG 47 CO 0.18 0.40 0.00 -0.40 0.02 0.00 0.00 175.30 175.50 1aww n ASP 48 N -0.12 0.00 -2.18 0.23 5.75 -0.73 -0.18 116.55 119.32 1aww n ASP 48 Ca -0.10 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.41 1aww n ASP 48 Cb 0.57 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.71 1aww n ASP 48 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aww n LYS 49 N 0.00 2.30 -0.60 0.11 4.76 -1.26 -4.06 118.16 119.41 1aww n LYS 49 Ca 0.00 -2.52 0.00 0.00 -2.87 0.00 0.00 58.31 52.92 1aww n LYS 49 Cb 0.00 -1.99 -0.00 0.00 -1.84 0.00 0.00 35.03 31.20 1aww n LYS 49 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1aww n ASN 50 N -0.27 0.05 -2.14 4.39 4.13 -1.26 -4.98 115.26 115.17 1aww n ASN 50 Ca 0.48 -1.74 -0.19 0.00 1.68 0.00 0.00 54.58 54.81 1aww n ASN 50 Cb 0.60 -0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 38.69 1aww n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aww n GLY 51 N 0.04 -0.31 3.24 7.41 0.00 -1.26 -4.98 105.19 109.34 1aww n GLY 51 Ca -0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1aww n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aww s GLN 52 N -4.89 3.13 0.12 1.61 -1.52 -1.26 -5.00 119.66 111.85 1aww s GLN 52 Ca 0.00 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 52.61 1aww s GLN 52 Cb 0.00 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 1aww s GLN 52 CO 0.00 0.11 0.26 -1.83 -0.25 0.00 0.00 175.29 173.58 1aww s GLU 53 N 0.53 3.43 0.00 2.91 1.03 -1.26 -1.78 118.70 123.56 1aww s GLU 53 Ca -0.13 -0.56 0.00 0.00 0.03 0.00 0.00 54.97 54.32 1aww s GLU 53 Cb -0.17 -2.98 0.00 0.00 -0.80 0.00 0.00 34.13 30.18 1aww s GLU 53 CO 0.04 0.55 0.00 0.41 -1.33 0.00 0.00 175.26 174.93 1aww n GLY 54 N -0.30 1.89 3.75 -3.83 0.00 -0.55 -4.74 105.19 101.42 1aww n GLY 54 Ca -0.06 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1aww n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aww s TYR 55 N -1.42 3.17 -0.16 1.61 1.51 -0.99 -2.92 117.35 118.16 1aww s TYR 55 Ca 0.00 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1aww s TYR 55 Cb 0.00 -1.65 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1aww s TYR 55 CO 0.00 0.51 0.21 0.42 -1.11 0.00 0.00 175.55 175.58 1aww s ILE 56 N -1.27 -0.31 0.36 2.71 1.09 -1.12 -2.38 121.20 120.28 1aww s ILE 56 Ca 0.25 0.07 -0.28 0.00 -1.10 0.00 0.00 60.65 59.59 1aww s ILE 56 Cb -0.12 -0.53 -0.11 0.00 -1.06 0.00 0.00 42.46 40.63 1aww s ILE 56 CO 0.17 -0.06 1.48 -2.65 -0.10 0.00 0.00 174.94 173.78 1aww n PRO 57 N 5.32 2.62 -0.11 2.79 -0.01 -1.26 -0.19 135.00 144.16 1aww n PRO 57 Ca -0.05 0.92 -0.09 0.00 -0.01 0.00 0.00 63.50 64.26 1aww n PRO 57 Cb 0.50 -2.64 -0.01 0.00 -0.01 0.00 0.00 33.50 31.33 1aww n PRO 57 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1aww h SER 58 N 3.15 0.47 -0.98 2.55 4.64 0.27 -2.85 113.55 120.79 1aww h SER 58 Ca -0.50 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1aww h SER 58 Cb 1.24 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 1aww h SER 58 CO 0.66 0.47 0.65 -0.55 -0.87 0.00 0.00 176.83 177.19 1aww h ASN 59 N 0.43 1.12 -0.81 4.97 -1.07 -1.91 -2.44 115.58 115.87 1aww h ASN 59 Ca 0.12 -0.03 0.02 0.00 0.07 0.00 0.00 56.30 56.48 1aww h ASN 59 Cb 0.14 -0.28 -0.04 0.00 -2.07 0.00 0.00 38.32 36.07 1aww h ASN 59 CO -0.01 0.80 0.54 1.88 0.07 0.00 0.00 177.43 180.71 1aww h TYR 60 N 1.32 1.00 -1.56 4.14 -1.99 -1.89 -3.44 116.97 114.56 1aww h TYR 60 Ca 0.36 0.02 -0.48 0.00 2.00 0.00 0.00 58.73 60.64 1aww h TYR 60 Cb -0.13 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.24 1aww h TYR 60 CO -0.00 0.61 -0.36 0.14 -0.00 0.00 0.00 178.16 178.55 1aww s VAL 61 N -5.89 2.91 0.00 -2.88 -7.23 -0.92 0.10 120.40 106.49 1aww s VAL 61 Ca -0.11 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1aww s VAL 61 Cb 0.18 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1aww s VAL 61 CO 0.79 -0.03 0.00 1.07 -0.31 0.00 0.00 175.10 176.62 1aww n THR 62 N -1.59 0.00 -2.91 5.32 5.66 -0.48 -4.88 114.28 115.40 1aww n THR 62 Ca 0.04 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.63 1aww n THR 62 Cb 0.61 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 1aww n THR 62 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1aww s GLU 63 N 4.23 4.58 1.04 1.09 0.41 -1.26 -1.80 118.70 126.99 1aww s GLU 63 Ca 0.00 1.20 -0.20 0.00 -0.41 0.00 0.00 54.97 55.56 1aww s GLU 63 Cb 0.00 -3.35 0.02 0.00 -1.78 0.00 0.00 34.13 29.03 1aww s GLU 63 CO 0.00 0.33 -0.43 0.00 -0.49 0.00 0.00 175.26 174.67 1aww n ALA 64 N 2.53 -3.79 -3.63 5.21 0.00 -1.24 -3.08 120.51 116.51 1aww n ALA 64 Ca -0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 53.44 51.99 1aww n ALA 64 Cb 0.50 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 1aww n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1aww s GLU 65 N -2.95 0.03 -0.18 0.00 2.02 -1.26 -4.69 118.70 111.67 1aww s GLU 65 Ca 0.45 0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.88 1aww s GLU 65 Cb -0.03 -0.70 -0.16 0.00 0.10 0.00 0.00 34.13 33.33 1aww s GLU 65 CO 0.58 -0.42 -0.06 -0.25 0.02 0.00 0.00 175.26 175.13 1aww n ASP 66 N 5.31 1.81 -0.88 -0.19 8.00 -1.26 -5.01 116.55 124.33 1aww n ASP 66 Ca -0.05 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.52 1aww n ASP 66 Cb 0.50 0.29 0.17 0.00 -0.02 0.00 0.00 41.12 42.05 1aww n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61