#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pla s GLU 2 N 0.00 1.03 -0.08 0.00 2.02 -1.26 -2.38 118.70 118.02 1pla s GLU 2 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1pla s GLU 2 Cb 0.00 -0.96 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1pla s GLU 2 CO 0.00 0.16 -0.07 0.08 0.02 0.00 0.00 175.26 175.45 1pla s VAL 3 N 0.05 0.86 -0.32 2.63 1.01 -1.00 -4.36 120.40 119.27 1pla s VAL 3 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1pla s VAL 3 Cb -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1pla s VAL 3 CO 0.00 0.32 0.40 -0.54 0.00 0.00 0.00 175.10 175.29 1pla s LYS 4 N 1.34 3.74 -0.43 2.72 3.01 0.14 0.06 119.74 130.32 1pla s LYS 4 Ca -0.03 -0.20 -0.29 0.00 -1.01 0.00 0.00 55.97 54.45 1pla s LYS 4 Cb -0.14 -3.75 0.01 0.00 -1.01 0.00 0.00 37.83 32.94 1pla s LYS 4 CO -0.03 -0.46 1.38 -0.51 0.51 0.00 0.00 175.35 176.23 1pla s LEU 5 N 2.12 3.58 0.00 3.17 1.43 0.02 -2.69 118.68 126.31 1pla s LEU 5 Ca 0.14 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1pla s LEU 5 Cb -0.16 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1pla s LEU 5 CO 0.11 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.88 1pla n GLY 6 N 5.06 1.75 3.82 -3.19 0.00 -1.05 -2.23 105.19 109.36 1pla n GLY 6 Ca 0.16 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 1pla n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pla s SER 7 N -0.04 5.84 0.19 1.61 1.04 0.67 -4.51 113.70 118.49 1pla s SER 7 Ca 0.00 1.68 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 1pla s SER 7 Cb 0.00 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.79 1pla s SER 7 CO 0.00 -1.13 1.67 0.44 0.98 0.00 0.00 173.24 175.20 1pla h ASP 8 N 0.09 -0.28 0.00 7.02 3.32 -1.94 -3.10 116.42 121.52 1pla h ASP 8 Ca -0.46 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1pla h ASP 8 Cb 1.21 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1pla h ASP 8 CO 0.58 -0.10 0.00 -0.90 -1.72 0.00 0.00 179.24 177.10 1pla n ASP 9 N -5.27 0.00 0.00 6.45 5.75 -1.26 -4.87 116.55 117.35 1pla n ASP 9 Ca 0.05 0.88 0.00 0.00 -0.01 0.00 0.00 54.79 55.71 1pla n ASP 9 Cb 0.27 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1pla n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pla n GLY 10 N -0.89 0.01 3.77 6.12 0.00 -1.17 -5.15 105.19 107.88 1pla n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1pla n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pla s GLY 11 N 0.00 1.67 -0.55 -0.02 0.00 -1.26 -4.78 107.32 102.38 1pla s GLY 11 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1pla s GLY 11 CO 0.00 0.57 0.32 1.08 0.00 0.00 0.00 173.10 175.07 1pla s LEU 12 N -5.92 4.78 0.05 0.66 1.43 -1.26 -0.24 118.68 118.18 1pla s LEU 12 Ca 0.61 -2.86 -0.14 0.00 -1.03 0.00 0.00 54.13 50.72 1pla s LEU 12 Cb -0.17 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1pla s LEU 12 CO 0.56 -0.31 0.30 0.68 0.23 0.00 0.00 176.35 177.81 1pla s VAL 13 N -0.07 0.08 -0.49 -1.59 -7.23 -1.26 -4.12 120.40 105.73 1pla s VAL 13 Ca 0.16 -0.70 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 1pla s VAL 13 Cb -0.23 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.77 1pla s VAL 13 CO -0.02 -0.38 1.23 -0.36 -0.31 0.00 0.00 175.10 175.25 1pla s PHE 14 N -2.67 2.64 -0.28 2.82 0.40 -1.26 -2.53 117.98 117.11 1pla s PHE 14 Ca -0.04 0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 56.88 1pla s PHE 14 Cb -0.00 -4.43 0.02 0.00 0.51 0.00 0.00 43.02 39.12 1pla s PHE 14 CO -0.04 -1.54 0.02 -1.12 0.70 0.00 0.00 175.22 173.24 1pla s SER 15 N 3.03 4.79 1.14 1.36 0.01 -1.10 -0.90 113.70 122.03 1pla s SER 15 Ca 0.50 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 1pla s SER 15 Cb -0.09 -1.78 0.26 0.00 0.21 0.00 0.00 66.02 64.62 1pla s SER 15 CO 0.31 -0.18 1.06 -2.16 0.41 0.00 0.00 173.24 172.68 1pla s PRO 16 N 1.41 -0.71 -0.05 12.44 0.04 -1.26 0.25 135.00 147.12 1pla s PRO 16 Ca 0.01 0.41 -0.04 0.00 0.04 0.00 0.00 61.00 61.42 1pla s PRO 16 Cb -0.17 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1pla s PRO 16 CO -0.01 -3.48 -0.07 0.45 0.04 0.00 0.00 177.00 173.93 1pla n SER 17 N -4.68 0.55 -4.64 6.66 2.88 -0.08 -4.90 113.62 109.42 1pla n SER 17 Ca 0.07 0.25 -0.34 0.00 -1.33 0.00 0.00 58.87 57.51 1pla n SER 17 Cb 0.57 -0.59 -0.10 0.00 -0.75 0.00 0.00 64.21 63.34 1pla n SER 17 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pla s SER 18 N -4.34 4.96 -0.28 -3.46 0.15 -1.26 -2.58 113.70 106.90 1pla s SER 18 Ca -0.06 0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.39 1pla s SER 18 Cb 0.01 -1.32 0.11 0.00 -1.71 0.00 0.00 66.02 63.10 1pla s SER 18 CO 0.09 0.36 0.94 0.72 1.20 0.00 0.00 173.24 176.56 1pla s PHE 19 N -0.87 -0.56 0.40 3.44 -0.12 -1.05 -5.00 117.98 114.22 1pla s PHE 19 Ca 0.13 1.37 -0.06 0.00 -0.05 0.00 0.00 56.93 58.33 1pla s PHE 19 Cb -0.11 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1pla s PHE 19 CO 0.03 -0.27 0.71 0.95 -0.05 0.00 0.00 175.22 176.58 1pla s THR 20 N 0.25 4.92 0.00 -4.49 -4.23 -1.26 -2.37 115.64 108.47 1pla s THR 20 Ca 0.02 0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.59 1pla s THR 20 Cb -0.05 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.01 1pla s THR 20 CO -0.04 -0.61 0.32 0.68 -0.54 0.00 0.00 174.62 174.42 1pla s VAL 21 N -2.45 0.06 0.35 2.29 -7.23 -0.68 -4.88 120.40 107.86 1pla s VAL 21 Ca 0.47 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.84 1pla s VAL 21 Cb -0.10 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 1pla s VAL 21 CO 0.37 -0.29 1.15 0.00 -0.31 0.00 0.00 175.10 176.02 1pla s ALA 22 N -1.70 3.27 -0.80 1.32 0.00 -1.26 -1.47 121.76 121.11 1pla s ALA 22 Ca -0.11 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1pla s ALA 22 Cb -0.04 -3.36 -0.22 0.00 0.00 0.00 0.00 23.12 19.50 1pla s ALA 22 CO 0.02 -0.38 1.91 0.00 0.00 0.00 0.00 175.76 177.31 1pla n ALA 23 N 0.50 1.26 0.00 0.00 0.00 -1.26 -1.65 120.51 119.35 1pla n ALA 23 Ca 0.02 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1pla n ALA 23 Cb 0.46 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1pla n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 24 N 5.51 0.00 3.78 0.00 0.00 -1.25 -4.92 105.19 108.31 1pla n GLY 24 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1pla n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 25 N 0.00 2.94 0.24 1.61 2.56 -0.66 -5.09 118.70 120.31 1pla s GLU 25 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 54.97 54.33 1pla s GLU 25 Cb 0.00 -2.77 -0.04 0.00 2.00 0.00 0.00 34.13 33.32 1pla s GLU 25 CO 0.00 0.59 0.46 -1.59 -0.56 0.00 0.00 175.26 174.16 1pla s LYS 26 N -2.18 3.55 -0.23 4.30 -2.85 -1.26 -4.25 119.74 116.82 1pla s LYS 26 Ca 0.27 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1pla s LYS 26 Cb -0.12 -2.76 0.06 0.00 -2.06 0.00 0.00 37.83 32.95 1pla s LYS 26 CO 0.20 0.32 -0.03 0.42 0.10 0.00 0.00 175.35 176.36 1pla s ILE 27 N -1.97 1.36 -0.31 3.79 1.01 0.18 -1.31 121.20 123.96 1pla s ILE 27 Ca 0.40 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1pla s ILE 27 Cb -0.11 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1pla s ILE 27 CO 0.30 -0.16 0.20 0.42 0.00 0.00 0.00 174.94 175.70 1pla s THR 28 N 1.46 5.19 -0.05 2.92 -4.23 -1.00 -1.03 115.64 118.90 1pla s THR 28 Ca -0.04 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.16 1pla s THR 28 Cb -0.19 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1pla s THR 28 CO -0.07 0.13 0.78 -0.36 -0.54 0.00 0.00 174.62 174.56 1pla s PHE 29 N 1.72 3.60 -0.12 3.99 0.08 0.74 -2.39 117.98 125.61 1pla s PHE 29 Ca 0.06 1.38 0.03 0.00 0.12 0.00 0.00 56.93 58.53 1pla s PHE 29 Cb -0.17 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1pla s PHE 29 CO 0.10 0.05 -0.23 0.21 -0.10 0.00 0.00 175.22 175.25 1pla s LYS 30 N 0.89 3.04 -0.34 0.44 2.20 0.11 -1.47 119.74 124.61 1pla s LYS 30 Ca 0.42 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 1pla s LYS 30 Cb -0.19 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 1pla s LYS 30 CO 0.21 0.11 1.56 -0.80 -0.36 0.00 0.00 175.35 176.07 1pla s ASN 31 N 0.52 6.24 -0.15 1.43 -0.87 -0.83 -0.80 114.94 120.48 1pla s ASN 31 Ca -0.14 1.18 0.13 0.00 -1.57 0.00 0.00 52.86 52.45 1pla s ASN 31 Cb -0.17 -2.53 -0.24 0.00 -0.02 0.00 0.00 41.25 38.29 1pla s ASN 31 CO 0.05 -1.45 0.25 -3.20 -2.57 0.00 0.00 177.10 170.18 1pla n ASN 32 N 9.07 0.67 0.00 -1.22 5.15 -0.96 -3.36 115.26 124.61 1pla n ASN 32 Ca 0.19 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1pla n ASN 32 Cb 0.47 0.35 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla n ALA 33 N -2.76 0.00 0.00 5.20 0.00 -0.95 -4.96 120.51 117.04 1pla n ALA 33 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1pla n ALA 33 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.55 1pla n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 34 N -0.08 0.61 3.32 0.00 0.00 -1.26 -4.17 105.19 103.61 1pla n GLY 34 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1pla n GLY 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pla n PHE 35 N 0.00 -1.84 -2.57 1.61 -1.74 -1.26 -4.62 117.46 107.04 1pla n PHE 35 Ca 0.00 0.20 -0.37 0.00 -0.56 0.00 0.00 57.45 56.71 1pla n PHE 35 Cb 0.00 -1.67 -0.05 0.00 1.52 0.00 0.00 39.48 39.28 1pla n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1pla s PRO 36 N -3.35 4.35 0.47 3.97 0.04 -1.26 -5.09 135.00 134.13 1pla s PRO 36 Ca 0.54 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.19 1pla s PRO 36 Cb -0.17 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.64 1pla s PRO 36 CO 0.69 0.02 0.40 -1.01 0.04 0.00 0.00 177.00 177.13 1pla s HIS 37 N -1.54 2.21 -0.17 0.56 3.76 -0.85 -4.92 115.29 114.34 1pla s HIS 37 Ca 0.53 -0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 1pla s HIS 37 Cb -0.24 -2.06 0.05 0.00 1.11 0.00 0.00 32.58 31.44 1pla s HIS 37 CO 0.30 -0.30 0.45 1.21 -0.85 0.00 0.00 174.74 175.55 1pla s ASN 38 N -4.21 -0.49 -0.32 1.40 3.04 -1.26 -2.68 114.94 110.42 1pla s ASN 38 Ca 0.43 0.92 0.01 0.00 0.04 0.00 0.00 52.86 54.27 1pla s ASN 38 Cb -0.02 0.92 0.10 0.00 -1.54 0.00 0.00 41.25 40.70 1pla s ASN 38 CO 0.26 -0.16 0.08 -0.63 -3.04 0.00 0.00 177.10 173.61 1pla s ILE 39 N 0.44 1.33 0.08 -5.21 1.09 -1.26 -3.77 121.20 113.89 1pla s ILE 39 Ca -0.02 -1.71 0.08 0.00 -1.10 0.00 0.00 60.65 57.91 1pla s ILE 39 Cb -0.04 -2.00 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 1pla s ILE 39 CO -0.02 -0.65 -0.23 -0.69 -0.10 0.00 0.00 174.94 173.25 1pla s VAL 40 N 1.38 1.85 -0.20 2.92 1.01 -1.06 0.19 120.40 126.49 1pla s VAL 40 Ca 0.10 -1.43 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 1pla s VAL 40 Cb -0.18 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1pla s VAL 40 CO -0.20 0.12 0.11 -0.36 0.00 0.00 0.00 175.10 174.77 1pla s PHE 41 N -0.96 3.35 -0.22 5.22 0.40 -1.26 -2.36 117.98 122.15 1pla s PHE 41 Ca 0.09 0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 1pla s PHE 41 Cb -0.10 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1pla s PHE 41 CO 0.03 0.23 1.77 0.34 0.70 0.00 0.00 175.22 178.30 1pla s ASP 42 N 0.41 6.16 0.00 1.36 2.15 -0.90 -4.82 116.67 121.03 1pla s ASP 42 Ca 0.06 1.70 0.03 0.00 0.43 0.00 0.00 52.55 54.78 1pla s ASP 42 Cb -0.12 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.14 1pla s ASP 42 CO -0.01 -1.43 0.86 -0.62 -0.17 0.00 0.00 175.17 173.81 1pla n GLU 43 N 7.96 0.06 0.00 4.34 4.71 -1.26 -0.88 120.64 135.57 1pla n GLU 43 Ca 0.21 0.20 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1pla n GLU 43 Cb 0.45 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.60 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pla n ASP 44 N -1.22 1.99 -2.69 1.62 8.00 -1.26 -4.35 116.55 118.64 1pla n ASP 44 Ca 0.02 -1.52 -0.09 0.00 0.71 0.00 0.00 54.79 53.90 1pla n ASP 44 Cb 0.02 0.16 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pla n GLU 45 N 0.29 1.13 -3.93 -1.24 1.02 -0.06 -5.09 120.64 112.77 1pla n GLU 45 Ca 0.13 -3.21 -0.10 0.00 -0.02 0.00 0.00 57.16 53.96 1pla n GLU 45 Cb 0.46 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pla s VAL 46 N -2.98 0.06 0.99 2.62 1.01 -1.24 -3.18 120.40 117.68 1pla s VAL 46 Ca 0.27 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1pla s VAL 46 Cb 0.45 -0.17 0.10 0.00 0.00 0.00 0.00 36.38 36.76 1pla s VAL 46 CO 0.03 -0.29 0.57 -0.81 0.00 0.00 0.00 175.10 174.60 1pla n PRO 47 N 2.20 -0.74 -1.75 2.72 -0.04 -1.26 -4.85 135.00 131.28 1pla n PRO 47 Ca -0.19 -0.17 -0.34 0.00 -0.04 0.00 0.00 63.50 62.76 1pla n PRO 47 Cb 0.57 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pla n ALA 48 N -4.01 6.66 0.00 0.55 0.00 -1.26 -3.97 120.51 118.47 1pla n ALA 48 Ca 0.07 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1pla n ALA 48 Cb 0.55 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 1.38 0.08 3.48 0.00 0.00 -1.26 -5.04 105.19 103.83 1pla n GLY 49 Ca 0.56 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 1pla n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pla s VAL 50 N -1.23 4.38 0.24 1.61 1.01 -1.25 -4.99 120.40 120.17 1pla s VAL 50 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1pla s VAL 50 Cb 0.00 -4.84 -0.16 0.00 0.00 0.00 0.00 36.38 31.38 1pla s VAL 50 CO 0.00 -1.63 0.75 0.59 0.00 0.00 0.00 175.10 174.82 1pla n ASN 51 N 7.54 -0.07 0.12 3.32 4.13 -1.26 -4.78 115.26 124.26 1pla n ASN 51 Ca 0.19 1.15 0.13 0.00 1.68 0.00 0.00 54.58 57.73 1pla n ASN 51 Cb 0.49 -1.10 0.35 0.00 -1.54 0.00 0.00 39.78 37.97 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pla h ALA 52 N 1.50 0.96 0.00 5.41 0.00 -1.94 -3.23 119.26 121.96 1pla h ALA 52 Ca -0.34 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1pla h ALA 52 Cb 1.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1pla h ALA 52 CO 0.59 0.00 -0.71 1.49 0.00 0.00 0.00 179.25 180.62 1pla h GLU 53 N 0.00 0.00 -0.09 0.00 4.57 -1.93 -1.13 114.58 116.00 1pla h GLU 53 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1pla h GLU 53 Cb 0.78 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1pla h GLU 53 CO 0.00 0.71 -0.73 0.87 -1.18 0.00 0.00 179.01 178.67 1pla h LYS 54 N 0.00 0.45 0.00 1.92 1.79 -1.93 -3.25 116.57 115.56 1pla h LYS 54 Ca -0.01 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1pla h LYS 54 Cb 1.43 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 1pla h LYS 54 CO 0.09 1.00 -1.14 0.44 -1.08 0.00 0.00 179.45 178.76 1pla n ILE 55 N -3.85 0.08 -1.70 1.86 -5.35 -1.23 -4.95 119.36 104.21 1pla n ILE 55 Ca -0.05 -0.20 -0.30 0.00 -0.27 0.00 0.00 62.75 61.94 1pla n ILE 55 Cb 0.71 0.41 0.18 0.00 -1.74 0.00 0.00 39.64 39.21 1pla n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pla s SER 56 N -3.69 2.83 -0.43 7.28 0.01 -0.43 -4.87 113.70 114.39 1pla s SER 56 Ca 0.04 0.47 0.07 0.00 1.31 0.00 0.00 55.95 57.84 1pla s SER 56 Cb 0.15 -0.66 0.24 0.00 0.21 0.00 0.00 66.02 65.96 1pla s SER 56 CO 0.83 -2.93 0.52 0.00 0.41 0.00 0.00 173.24 172.07 1pla n GLN 57 N -3.94 0.87 0.31 12.44 6.02 0.50 -4.93 117.38 128.65 1pla n GLN 57 Ca 0.13 -3.41 0.20 0.00 -0.01 0.00 0.00 57.00 53.92 1pla n GLN 57 Cb 0.60 -1.41 1.08 0.00 1.02 0.00 0.00 30.24 31.52 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1pla h PRO 58 N 4.27 0.00 -4.95 -1.09 0.11 -1.92 -3.36 132.00 125.06 1pla h PRO 58 Ca 0.11 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.54 1pla h PRO 58 Cb 0.86 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.79 1pla h PRO 58 CO 0.50 0.00 0.40 -1.21 -0.21 0.00 0.00 178.00 177.48 1pla s GLU 59 N -4.04 3.22 1.01 1.05 2.02 -1.26 -5.02 118.70 115.67 1pla s GLU 59 Ca -0.04 -1.33 -0.20 0.00 0.02 0.00 0.00 54.97 53.42 1pla s GLU 59 Cb 0.11 -4.40 -0.10 0.00 0.10 0.00 0.00 34.13 29.84 1pla s GLU 59 CO 0.36 -1.67 -0.72 0.66 0.02 0.00 0.00 175.26 173.91 1pla n TYR 60 N 6.67 -3.04 -4.24 1.61 4.01 -1.26 -4.99 117.16 115.92 1pla n TYR 60 Ca 0.01 0.23 -0.17 0.00 -0.16 0.00 0.00 57.90 57.81 1pla n TYR 60 Cb 0.45 -1.49 -0.15 0.00 -0.31 0.00 0.00 39.34 37.84 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pla s LEU 61 N 5.36 1.98 -0.12 7.72 0.05 -1.09 -5.03 118.68 127.55 1pla s LEU 61 Ca 0.44 -0.12 0.19 0.00 0.05 0.00 0.00 54.13 54.69 1pla s LEU 61 Cb -0.10 -0.35 0.44 0.00 -2.05 0.00 0.00 46.19 44.13 1pla s LEU 61 CO 0.74 0.08 1.18 0.59 -0.55 0.00 0.00 176.35 178.39 1pla n ASN 62 N 2.97 1.56 -4.71 1.48 3.02 -1.26 -2.00 115.26 116.32 1pla n ASN 62 Ca -0.14 -2.80 -0.36 0.00 -0.03 0.00 0.00 54.58 51.26 1pla n ASN 62 Cb 0.57 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pla s GLY 63 N -2.71 2.03 -0.01 7.41 0.00 -1.26 -4.95 107.32 107.84 1pla s GLY 63 Ca 0.36 -0.74 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 1pla s GLY 63 CO -0.11 0.24 1.06 0.00 0.00 0.00 0.00 173.10 174.29 1pla s ALA 64 N 0.59 3.28 0.00 3.20 0.00 -1.26 -3.17 121.76 124.40 1pla s ALA 64 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1pla s ALA 64 Cb -0.12 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1pla s ALA 64 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1pla n GLY 65 N 3.05 2.95 3.30 0.00 0.00 -1.21 -4.99 105.19 108.28 1pla n GLY 65 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1pla n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pla n GLU 66 N -1.63 -0.54 -3.95 1.61 -0.58 -1.19 -4.23 120.64 110.13 1pla n GLU 66 Ca 0.00 -0.13 -0.09 0.00 -0.42 0.00 0.00 57.16 56.52 1pla n GLU 66 Cb 0.00 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.16 1pla n GLU 66 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1pla s THR 67 N -2.28 0.10 0.02 2.62 -4.23 -1.26 -1.97 115.64 108.65 1pla s THR 67 Ca 0.53 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1pla s THR 67 Cb -0.17 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1pla s THR 67 CO 0.69 -0.46 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.78 1pla s TYR 68 N -3.94 0.59 0.06 3.99 6.14 -0.54 -4.95 117.35 118.70 1pla s TYR 68 Ca 0.14 -0.34 0.03 0.00 0.64 0.00 0.00 57.07 57.53 1pla s TYR 68 Cb 0.04 -0.36 -0.04 0.00 0.42 0.00 0.00 41.96 42.03 1pla s TYR 68 CO -0.04 -0.06 0.06 -1.21 0.64 0.00 0.00 175.55 174.94 1pla s GLU 69 N -1.01 2.84 -0.14 4.97 2.02 -1.26 -0.18 118.70 125.94 1pla s GLU 69 Ca -0.05 -0.67 -0.09 0.00 0.02 0.00 0.00 54.97 54.17 1pla s GLU 69 Cb -0.07 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.50 1pla s GLU 69 CO 0.00 0.58 0.34 0.08 0.02 0.00 0.00 175.26 176.28 1pla s VAL 70 N -1.31 -0.02 -0.26 2.63 1.01 -0.20 -4.97 120.40 117.28 1pla s VAL 70 Ca 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1pla s VAL 70 Cb -0.12 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1pla s VAL 70 CO 0.19 0.03 0.05 -0.89 0.00 0.00 0.00 175.10 174.48 1pla s THR 71 N 1.01 0.93 0.19 3.92 2.01 -1.26 0.49 115.64 122.93 1pla s THR 71 Ca -0.07 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.79 1pla s THR 71 Cb -0.07 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1pla s THR 71 CO -0.08 -0.40 0.42 -0.76 -0.69 0.00 0.00 174.62 173.11 1pla s LEU 72 N 1.63 4.21 -0.34 4.42 1.43 -1.26 -5.02 118.68 123.75 1pla s LEU 72 Ca 0.03 0.55 0.15 0.00 -1.03 0.00 0.00 54.13 53.82 1pla s LEU 72 Cb -0.18 -3.30 0.43 0.00 0.03 0.00 0.00 46.19 43.17 1pla s LEU 72 CO -0.15 -0.03 1.22 0.35 0.23 0.00 0.00 176.35 177.96 1pla n THR 73 N -0.40 0.51 -3.65 5.49 -2.24 -1.26 -3.97 114.28 108.76 1pla n THR 73 Ca -0.03 -2.13 -0.27 0.00 -2.27 0.00 0.00 64.05 59.34 1pla n THR 73 Cb 0.53 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pla s GLU 74 N -1.47 0.31 -0.42 -0.78 0.41 -1.26 -4.97 118.70 110.51 1pla s GLU 74 Ca 0.22 -0.32 -0.41 0.00 -0.41 0.00 0.00 54.97 54.05 1pla s GLU 74 Cb 0.42 -1.82 -0.16 0.00 -1.78 0.00 0.00 34.13 30.78 1pla s GLU 74 CO -0.05 -0.74 2.04 1.17 -0.49 0.00 0.00 175.26 177.20 1pla n LYS 75 N 5.18 0.49 -0.82 1.61 3.00 -1.26 -4.57 118.16 121.79 1pla n LYS 75 Ca -0.07 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1pla n LYS 75 Cb 0.47 -1.88 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pla n GLY 76 N 6.37 -0.60 2.83 3.14 0.00 -0.99 -4.96 105.19 110.97 1pla n GLY 76 Ca 0.44 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1pla n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pla s THR 77 N -3.77 -0.02 0.35 2.61 -4.23 -1.26 -1.81 115.64 107.50 1pla s THR 77 Ca 0.00 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1pla s THR 77 Cb 0.00 -0.05 -0.07 0.00 1.34 0.00 0.00 72.50 73.72 1pla s THR 77 CO 0.00 0.04 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.75 1pla s TYR 78 N 0.49 2.33 -0.03 3.99 1.51 -0.66 -4.43 117.35 120.55 1pla s TYR 78 Ca -0.04 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1pla s TYR 78 Cb -0.06 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1pla s TYR 78 CO -0.01 0.48 0.01 0.15 -1.11 0.00 0.00 175.55 175.06 1pla s LYS 79 N -3.67 0.24 0.14 -0.62 -0.14 -1.19 -2.65 119.74 111.86 1pla s LYS 79 Ca 0.33 0.09 0.01 0.00 -1.36 0.00 0.00 55.97 55.03 1pla s LYS 79 Cb 0.05 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.72 1pla s LYS 79 CO 0.16 -0.14 0.02 -0.59 -0.76 0.00 0.00 175.35 174.04 1pla s PHE 80 N 1.00 1.01 0.05 3.18 -0.71 0.67 -2.12 117.98 121.06 1pla s PHE 80 Ca -0.10 -1.10 -0.09 0.00 -1.04 0.00 0.00 56.93 54.60 1pla s PHE 80 Cb -0.13 -0.58 0.03 0.00 -1.21 0.00 0.00 43.02 41.13 1pla s PHE 80 CO -0.02 -0.34 0.42 2.48 -1.34 0.00 0.00 175.22 176.43 1pla n TYR 81 N -0.15 -0.74 -4.64 3.49 4.11 -1.00 0.24 117.16 118.47 1pla n TYR 81 Ca -0.07 -0.45 -0.33 0.00 -0.00 0.00 0.00 57.90 57.05 1pla n TYR 81 Cb 0.63 0.22 -0.14 0.00 -0.00 0.00 0.00 39.34 40.05 1pla n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pla h GLU 83 N 6.72 0.40 0.15 0.00 4.39 -1.91 -1.86 114.58 122.46 1pla h GLU 83 Ca -0.28 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 1pla h GLU 83 Cb 1.21 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1pla h GLU 83 CO 0.58 0.77 -0.07 -1.00 -1.16 0.00 0.00 179.01 178.13 1pla h PRO 84 N 0.05 -0.19 -0.03 2.33 0.14 -1.93 -3.08 132.00 129.28 1pla h PRO 84 Ca 0.03 0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.18 1pla h PRO 84 Cb 0.69 0.04 0.00 0.00 0.14 0.00 0.00 31.00 31.88 1pla h PRO 84 CO 0.04 0.14 0.00 0.72 0.14 0.00 0.00 178.00 179.04 1pla n HIS 85 N -5.02 0.04 0.14 1.56 8.25 -1.25 -3.85 115.22 115.09 1pla n HIS 85 Ca -0.09 -0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.36 1pla n HIS 85 Cb 0.22 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.40 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N -0.55 1.50 0.15 -1.41 0.00 -0.70 -1.02 120.51 118.48 1pla n ALA 86 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1pla n ALA 86 Cb 0.09 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.55 1pla n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pla h GLY 87 N 0.40 0.00 0.19 0.00 0.00 -1.82 -3.35 103.07 98.48 1pla h GLY 87 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1pla h GLY 87 CO 0.00 0.00 -1.92 0.00 0.00 0.00 0.00 176.54 174.62 1pla n ALA 88 N -2.21 0.99 0.00 3.60 0.00 -0.19 -4.99 120.51 117.71 1pla n ALA 88 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1pla n ALA 88 Cb 0.68 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1pla n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 89 N 1.69 0.00 3.56 0.00 0.00 -1.19 -5.10 105.19 104.16 1pla n GLY 89 Ca -0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1pla n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pla s MET 90 N 0.00 3.14 0.24 1.61 0.00 -1.24 -4.89 119.30 118.17 1pla s MET 90 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 55.69 56.01 1pla s MET 90 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 34.83 30.59 1pla s MET 90 CO 0.00 -2.15 0.01 -1.59 0.00 0.00 0.00 175.02 171.29 1pla s LYS 91 N 5.86 1.38 -0.05 4.11 -2.85 -1.26 -2.66 119.74 124.27 1pla s LYS 91 Ca 0.50 -1.71 -0.14 0.00 -1.00 0.00 0.00 55.97 53.62 1pla s LYS 91 Cb -0.10 -0.61 0.03 0.00 -2.06 0.00 0.00 37.83 35.08 1pla s LYS 91 CO 0.21 -0.13 0.33 0.20 0.10 0.00 0.00 175.35 176.07 1pla s GLY 92 N -3.33 -0.19 -0.04 0.59 0.00 0.66 -4.13 107.32 100.88 1pla s GLY 92 Ca 0.30 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.41 1pla s GLY 92 CO 0.10 0.33 0.31 1.85 0.00 0.00 0.00 173.10 175.69 1pla s GLU 93 N -0.92 0.60 -0.05 2.90 2.12 -1.06 -0.24 118.70 122.05 1pla s GLU 93 Ca -0.10 -0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.15 1pla s GLU 93 Cb -0.04 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.64 1pla s GLU 93 CO 0.03 -0.15 0.13 0.54 -0.54 0.00 0.00 175.26 175.27 1pla s VAL 94 N -0.99 -0.02 -0.32 3.70 0.11 -1.08 -2.53 120.40 119.27 1pla s VAL 94 Ca -0.11 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 1pla s VAL 94 Cb -0.05 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 1pla s VAL 94 CO 0.03 0.03 0.03 -0.89 -3.33 0.00 0.00 175.10 170.98 1pla s THR 95 N 0.49 3.03 0.22 5.04 2.01 -1.00 -1.66 115.64 123.78 1pla s THR 95 Ca -0.03 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.25 1pla s THR 95 Cb -0.05 -2.81 -0.08 0.00 0.01 0.00 0.00 72.50 69.57 1pla s THR 95 CO -0.02 -0.21 0.75 -0.69 -0.69 0.00 0.00 174.62 173.76 1pla s VAL 96 N 1.23 4.51 -2.12 3.82 1.01 -0.75 -1.68 120.40 126.41 1pla s VAL 96 Ca -0.03 1.39 0.31 0.00 0.00 0.00 0.00 61.98 63.66 1pla s VAL 96 Cb -0.20 -3.91 0.83 0.00 0.00 0.00 0.00 36.38 33.09 1pla s VAL 96 CO -0.02 0.25 2.12 -3.20 0.00 0.00 0.00 175.10 174.25