#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 3.21 -0.21 0.00 2.02 -1.26 -1.34 118.70 121.12 1pla s GLU 2 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 1pla s GLU 2 Cb 0.00 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1pla s GLU 2 CO 0.00 -0.16 -0.03 0.08 0.02 0.00 0.00 175.26 175.18 1pla s VAL 3 N 1.27 3.61 -0.40 2.63 1.01 -0.76 -4.51 120.40 123.25 1pla s VAL 3 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1pla s VAL 3 Cb -0.14 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1pla s VAL 3 CO -0.06 0.43 0.62 -0.54 0.00 0.00 0.00 175.10 175.54 1pla s LYS 4 N 1.24 3.44 -0.49 2.72 1.02 0.14 0.06 119.74 127.87 1pla s LYS 4 Ca 0.03 -0.22 -0.28 0.00 0.02 0.00 0.00 55.97 55.51 1pla s LYS 4 Cb -0.14 -3.89 0.02 0.00 -0.52 0.00 0.00 37.83 33.30 1pla s LYS 4 CO -0.00 -0.87 1.31 -0.51 -0.92 0.00 0.00 175.35 174.36 1pla s LEU 5 N 2.71 3.53 0.00 3.17 1.43 0.51 -2.61 118.68 127.42 1pla s LEU 5 Ca 0.22 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1pla s LEU 5 Cb -0.14 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1pla s LEU 5 CO 0.17 -1.47 0.00 0.61 0.23 0.00 0.00 176.35 175.89 1pla n GLY 6 N 5.07 3.03 3.91 -3.19 0.00 -1.08 -2.49 105.19 110.45 1pla n GLY 6 Ca 0.13 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 6.28 0.45 1.61 1.04 0.39 -4.70 113.70 118.77 1pla s SER 7 Ca 0.00 0.84 0.25 0.00 0.48 0.00 0.00 55.95 57.51 1pla s SER 7 Cb 0.00 -2.21 0.58 0.00 0.10 0.00 0.00 66.02 64.49 1pla s SER 7 CO 0.00 -0.51 1.69 0.44 0.98 0.00 0.00 173.24 175.84 1pla h ASP 8 N 0.40 0.00 0.00 7.02 3.32 -1.94 -3.38 116.42 121.84 1pla h ASP 8 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1pla h ASP 8 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1pla h ASP 8 CO 0.62 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 1pla n ASP 9 N -3.12 0.00 0.00 6.45 5.75 -1.26 -4.99 116.55 119.37 1pla n ASP 9 Ca 0.03 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1pla n ASP 9 Cb 0.49 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.93 -1.85 3.49 6.12 0.00 -1.26 -5.17 105.19 108.44 1pla n GLY 10 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 46.02 46.85 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 0.22 -0.33 -0.02 0.00 -1.26 -5.00 107.32 100.93 1pla s GLY 11 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 1pla s GLY 11 CO 0.00 -0.52 0.05 1.08 0.00 0.00 0.00 173.10 173.72 1pla s LEU 12 N -2.94 4.36 0.07 0.66 1.43 -1.26 -0.46 118.68 120.54 1pla s LEU 12 Ca 0.15 -1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 1pla s LEU 12 Cb 0.00 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1pla s LEU 12 CO 0.01 -0.35 0.36 0.68 0.23 0.00 0.00 176.35 177.28 1pla s VAL 13 N 1.16 0.07 -0.38 -1.59 -7.23 -1.26 -4.40 120.40 106.77 1pla s VAL 13 Ca 0.01 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 1pla s VAL 13 Cb -0.20 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.71 1pla s VAL 13 CO -0.03 -0.34 1.18 -0.36 -0.31 0.00 0.00 175.10 175.24 1pla s PHE 14 N -2.97 2.85 -0.32 2.82 0.40 -1.26 -2.63 117.98 116.88 1pla s PHE 14 Ca -0.02 0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 57.20 1pla s PHE 14 Cb 0.00 -4.06 0.06 0.00 0.51 0.00 0.00 43.02 39.54 1pla s PHE 14 CO -0.06 -1.28 0.03 -1.12 0.70 0.00 0.00 175.22 173.49 1pla s SER 15 N 2.42 4.91 1.23 1.36 0.01 -1.07 -0.70 113.70 121.86 1pla s SER 15 Ca 0.50 -1.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.10 1pla s SER 15 Cb -0.12 -1.71 0.30 0.00 0.21 0.00 0.00 66.02 64.70 1pla s SER 15 CO 0.24 -0.31 1.05 -2.16 0.41 0.00 0.00 173.24 172.48 1pla s PRO 16 N 1.20 -1.46 -0.18 12.44 0.04 -1.26 0.25 135.00 146.02 1pla s PRO 16 Ca -0.02 0.14 -0.18 0.00 0.04 0.00 0.00 61.00 60.98 1pla s PRO 16 Cb -0.20 -1.55 -0.15 0.00 0.04 0.00 0.00 34.50 32.64 1pla s PRO 16 CO -0.02 -3.91 0.17 0.77 0.04 0.00 0.00 177.00 174.04 1pla h SER 17 N -2.73 0.00 -4.38 6.66 0.02 -1.24 -3.46 113.55 108.42 1pla h SER 17 Ca -0.48 -0.41 -0.41 0.00 -0.84 0.00 0.00 61.79 59.65 1pla h SER 17 Cb 1.32 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.62 1pla h SER 17 CO 0.37 1.20 -0.78 -0.55 -1.14 0.00 0.00 176.83 175.93 1pla s SER 18 N -6.44 1.53 -0.27 3.07 0.15 -1.26 -2.24 113.70 108.23 1pla s SER 18 Ca -0.23 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 55.69 1pla s SER 18 Cb 0.04 -0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.35 1pla s SER 18 CO 0.48 -0.01 0.78 0.72 1.20 0.00 0.00 173.24 176.41 1pla s PHE 19 N -0.95 -0.73 0.51 3.44 -0.71 -0.98 -4.99 117.98 113.57 1pla s PHE 19 Ca -0.00 1.78 -0.14 0.00 -1.04 0.00 0.00 56.93 57.53 1pla s PHE 19 Cb -0.08 0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 41.95 1pla s PHE 19 CO 0.01 -0.35 0.94 0.95 -1.34 0.00 0.00 175.22 175.43 1pla s THR 20 N 0.34 4.63 0.16 -4.49 -4.23 -1.26 -2.27 115.64 108.53 1pla s THR 20 Ca 0.01 0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 61.41 1pla s THR 20 Cb -0.05 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 1pla s THR 20 CO -0.00 -0.74 0.31 0.68 -0.54 0.00 0.00 174.62 174.33 1pla s VAL 21 N -2.67 0.06 0.20 2.29 -7.23 -0.44 -4.85 120.40 107.77 1pla s VAL 21 Ca 0.56 -1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 1pla s VAL 21 Cb -0.10 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 1pla s VAL 21 CO 0.36 -0.29 0.57 0.00 -0.31 0.00 0.00 175.10 175.42 1pla s ALA 22 N -3.95 3.54 -0.86 1.32 0.00 -1.26 -1.29 121.76 119.27 1pla s ALA 22 Ca 0.15 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1pla s ALA 22 Cb 0.03 -2.52 -0.25 0.00 0.00 0.00 0.00 23.12 20.37 1pla s ALA 22 CO -0.01 0.46 1.98 0.00 0.00 0.00 0.00 175.76 178.19 1pla n ALA 23 N 0.29 0.55 0.00 0.00 0.00 -1.26 -1.36 120.51 118.72 1pla n ALA 23 Ca -0.02 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 50.99 1pla n ALA 23 Cb 0.52 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.52 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 5.82 0.00 3.77 0.00 0.00 -1.22 -4.91 105.19 108.64 1pla n GLY 24 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 3.17 -0.13 1.61 2.56 -0.47 -5.06 118.70 120.39 1pla s GLU 25 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 54.97 54.43 1pla s GLU 25 Cb 0.00 -2.96 -0.02 0.00 2.00 0.00 0.00 34.13 33.15 1pla s GLU 25 CO 0.00 0.74 0.79 0.15 -0.56 0.00 0.00 175.26 176.38 1pla s LYS 26 N -0.95 4.35 -0.27 4.30 1.02 -1.26 -4.25 119.74 122.68 1pla s LYS 26 Ca 0.14 0.98 -0.10 0.00 0.02 0.00 0.00 55.97 57.01 1pla s LYS 26 Cb -0.12 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1pla s LYS 26 CO 0.03 -0.19 0.14 0.42 -0.92 0.00 0.00 175.35 174.83 1pla s ILE 27 N 1.66 4.88 -0.24 2.17 1.01 0.74 -1.79 121.20 129.63 1pla s ILE 27 Ca 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.04 1pla s ILE 27 Cb -0.17 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.01 1pla s ILE 27 CO 0.15 0.27 -0.09 0.42 0.00 0.00 0.00 174.94 175.69 1pla s THR 28 N 1.70 2.58 -0.29 2.92 -4.23 -0.45 -0.15 115.64 117.71 1pla s THR 28 Ca 0.07 -1.17 -0.23 0.00 -1.18 0.00 0.00 61.69 59.18 1pla s THR 28 Cb -0.16 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1pla s THR 28 CO 0.08 0.19 0.74 -0.36 -0.54 0.00 0.00 174.62 174.73 1pla s PHE 29 N 1.26 3.23 -0.07 3.99 0.40 -0.41 -1.83 117.98 124.55 1pla s PHE 29 Ca -0.01 0.81 0.02 0.00 -0.60 0.00 0.00 56.93 57.14 1pla s PHE 29 Cb -0.17 -3.11 -0.03 0.00 0.51 0.00 0.00 43.02 40.23 1pla s PHE 29 CO -0.06 -0.50 -0.10 0.21 0.70 0.00 0.00 175.22 175.47 1pla s LYS 30 N 2.82 2.74 0.02 0.44 2.20 0.11 -2.10 119.74 125.97 1pla s LYS 30 Ca 0.31 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 1pla s LYS 30 Cb -0.15 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1pla s LYS 30 CO 0.11 0.59 0.93 -0.80 -0.36 0.00 0.00 175.35 175.82 1pla s ASN 31 N -0.62 7.34 0.00 1.43 0.01 -0.95 -0.36 114.94 121.79 1pla s ASN 31 Ca 0.09 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 1pla s ASN 31 Cb -0.11 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1pla s ASN 31 CO 0.01 -0.18 0.00 -0.46 -1.51 0.00 0.00 177.10 174.97 1pla n ASN 32 N 3.56 2.55 0.00 -1.22 6.94 -1.04 -3.62 115.26 122.43 1pla n ASN 32 Ca 0.04 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1pla n ASN 32 Cb 0.51 0.72 0.00 0.00 -2.36 0.00 0.00 39.78 38.65 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pla n ALA 33 N -0.98 0.00 -0.02 -2.53 0.00 -1.12 -4.97 120.51 110.90 1pla n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pla n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.70 0.28 3.25 0.00 0.00 -1.26 -3.94 105.19 102.83 1pla n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pla n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pla n PHE 35 N -2.00 -2.45 -2.58 1.61 3.72 -1.26 -4.62 117.46 109.88 1pla n PHE 35 Ca 0.00 0.18 -0.38 0.00 -0.05 0.00 0.00 57.45 57.20 1pla n PHE 35 Cb 0.00 -1.63 -0.05 0.00 -0.94 0.00 0.00 39.48 36.87 1pla n PHE 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pla s PRO 36 N -3.05 4.47 0.55 -1.08 0.04 -1.26 -5.07 135.00 129.60 1pla s PRO 36 Ca 0.51 1.58 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1pla s PRO 36 Cb -0.16 -2.89 0.05 0.00 0.04 0.00 0.00 34.50 31.54 1pla s PRO 36 CO 0.71 0.12 0.45 0.72 0.04 0.00 0.00 177.00 179.05 1pla n HIS 37 N 0.64 -0.79 -3.58 0.56 8.25 -0.85 -4.91 115.22 114.54 1pla n HIS 37 Ca 0.02 -2.28 -0.16 0.00 -0.26 0.00 0.00 57.72 55.03 1pla n HIS 37 Cb 0.48 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 1pla n HIS 37 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pla s ASN 38 N -4.24 -0.63 -0.09 0.41 3.04 -1.26 -3.11 114.94 109.05 1pla s ASN 38 Ca 0.34 0.87 -0.02 0.00 0.04 0.00 0.00 52.86 54.10 1pla s ASN 38 Cb -0.03 0.79 0.03 0.00 -1.54 0.00 0.00 41.25 40.51 1pla s ASN 38 CO 0.22 -0.47 0.02 -0.63 -3.04 0.00 0.00 177.10 173.19 1pla s ILE 39 N -0.69 0.34 0.11 -5.21 1.09 -1.21 -3.89 121.20 111.72 1pla s ILE 39 Ca -0.08 0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.51 1pla s ILE 39 Cb -0.02 -0.59 -0.04 0.00 -1.06 0.00 0.00 42.46 40.75 1pla s ILE 39 CO 0.07 0.15 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.30 1pla s VAL 40 N 1.98 0.71 -0.17 2.92 1.01 -0.94 0.97 120.40 126.88 1pla s VAL 40 Ca 0.04 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.05 1pla s VAL 40 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1pla s VAL 40 CO -0.06 -0.83 -0.09 -0.36 0.00 0.00 0.00 175.10 173.76 1pla s PHE 41 N -3.62 2.88 -0.36 5.22 0.40 -1.26 -2.08 117.98 119.17 1pla s PHE 41 Ca 0.13 -0.83 -0.28 0.00 -0.60 0.00 0.00 56.93 55.36 1pla s PHE 41 Cb 0.05 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1pla s PHE 41 CO -0.04 -0.39 1.99 0.34 0.70 0.00 0.00 175.22 177.83 1pla s ASP 42 N 0.90 5.50 0.00 1.36 2.15 -0.56 -4.79 116.67 121.22 1pla s ASP 42 Ca -0.02 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1pla s ASP 42 Cb -0.15 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1pla s ASP 42 CO 0.00 -2.03 0.27 -0.62 -0.17 0.00 0.00 175.17 172.62 1pla n GLU 43 N 8.70 0.39 0.00 4.34 1.02 -1.26 -2.10 120.64 131.73 1pla n GLU 43 Ca 0.26 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.48 1pla n GLU 43 Cb 0.48 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 30.79 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pla n ASP 44 N 0.01 1.77 -0.12 1.62 9.92 -1.26 -4.49 116.55 124.01 1pla n ASP 44 Ca 0.00 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 1pla n ASP 44 Cb 0.06 0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pla n GLU 45 N 0.10 0.00 -3.48 -1.24 1.02 -0.89 -5.09 120.64 111.06 1pla n GLU 45 Ca 0.07 -0.59 -0.34 0.00 -0.02 0.00 0.00 57.16 56.28 1pla n GLU 45 Cb 0.35 -0.48 -0.05 0.00 -0.02 0.00 0.00 31.44 31.24 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 0.00 4.99 0.75 2.62 1.01 -1.21 -4.45 120.40 124.12 1pla s VAL 46 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 1pla s VAL 46 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1pla s VAL 46 CO 0.00 0.15 0.37 -2.65 0.00 0.00 0.00 175.10 172.96 1pla n PRO 47 N 0.49 0.18 -1.94 2.72 -0.01 -1.26 -4.81 135.00 130.37 1pla n PRO 47 Ca -0.04 0.10 -0.42 0.00 -0.01 0.00 0.00 63.50 63.13 1pla n PRO 47 Cb 0.52 -1.71 -0.00 0.00 -0.01 0.00 0.00 33.50 32.30 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla n ALA 48 N -2.47 5.86 0.00 3.55 0.00 -1.26 -3.58 120.51 122.61 1pla n ALA 48 Ca 0.09 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.49 1pla n ALA 48 Cb 0.51 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 3.27 0.00 3.45 0.00 0.00 -1.26 -5.04 105.19 105.61 1pla n GLY 49 Ca 0.51 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.81 5.08 0.23 1.61 1.01 -1.23 -5.00 120.40 121.29 1pla s VAL 50 Ca 0.00 -2.60 -0.28 0.00 0.00 0.00 0.00 61.98 59.10 1pla s VAL 50 Cb 0.00 -4.87 -0.16 0.00 0.00 0.00 0.00 36.38 31.35 1pla s VAL 50 CO 0.00 -1.57 0.74 0.59 0.00 0.00 0.00 175.10 174.86 1pla n ASN 51 N 5.49 -0.14 -0.53 3.32 3.02 -1.26 -4.76 115.26 120.40 1pla n ASN 51 Ca 0.34 1.15 0.04 0.00 -0.03 0.00 0.00 54.58 56.09 1pla n ASN 51 Cb 0.43 -1.09 0.12 0.00 -0.61 0.00 0.00 39.78 38.63 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla n ALA 52 N 0.16 2.47 0.07 5.41 0.00 -1.26 -3.72 120.51 123.64 1pla n ALA 52 Ca 0.15 -0.49 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1pla n ALA 52 Cb 0.27 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1pla n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pla n GLU 53 N 0.31 0.61 -0.05 0.00 1.02 -1.26 -2.98 120.64 118.30 1pla n GLU 53 Ca 0.09 0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1pla n GLU 53 Cb 0.25 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 29.72 1pla n GLU 53 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1pla n LYS 54 N -2.76 0.67 0.05 3.49 2.85 -1.24 -4.33 118.16 116.89 1pla n LYS 54 Ca -0.05 0.19 0.04 0.00 -1.05 0.00 0.00 58.31 57.44 1pla n LYS 54 Cb 0.69 -1.68 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1pla n ILE 55 N -3.04 0.98 -0.34 0.58 -5.35 -1.26 -4.92 119.36 106.00 1pla n ILE 55 Ca -0.26 -0.64 -0.27 0.00 -0.27 0.00 0.00 62.75 61.31 1pla n ILE 55 Cb 1.08 -0.59 0.26 0.00 -1.74 0.00 0.00 39.64 38.64 1pla n ILE 55 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1pla n SER 56 N -2.81 -3.62 -2.79 7.28 7.64 -1.16 -4.97 113.62 113.20 1pla n SER 56 Ca -0.06 -0.84 -0.10 0.00 1.01 0.00 0.00 58.87 58.88 1pla n SER 56 Cb 0.74 -0.89 0.05 0.00 -1.01 0.00 0.00 64.21 63.09 1pla n SER 56 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1pla n GLN 57 N -5.26 0.82 0.26 1.43 7.27 0.27 -4.97 117.38 117.21 1pla n GLN 57 Ca 0.13 -1.93 0.08 0.00 0.07 0.00 0.00 57.00 55.34 1pla n GLN 57 Cb 0.54 -1.37 0.64 0.00 2.41 0.00 0.00 30.24 32.46 1pla n GLN 57 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1pla h PRO 58 N 3.78 0.00 -6.06 3.69 0.11 -1.96 -3.21 132.00 128.35 1pla h PRO 58 Ca -0.12 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.41 1pla h PRO 58 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1pla h PRO 58 CO 0.31 0.04 1.43 0.39 -0.21 0.00 0.00 178.00 179.96 1pla n GLU 59 N -4.39 2.06 -0.50 1.05 1.02 -1.26 -4.91 120.64 113.72 1pla n GLU 59 Ca -0.03 0.62 -0.29 0.00 -0.02 0.00 0.00 57.16 57.44 1pla n GLU 59 Cb 0.13 -3.11 0.25 0.00 -0.02 0.00 0.00 31.44 28.68 1pla n GLU 59 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1pla n TYR 60 N 10.61 -1.39 -3.67 -0.32 4.01 -1.26 -4.87 117.16 120.28 1pla n TYR 60 Ca 0.29 -0.13 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 1pla n TYR 60 Cb 0.42 -1.66 -0.08 0.00 -0.31 0.00 0.00 39.34 37.71 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 -6.23 0.24 0.00 7.72 0.05 -1.18 -5.02 118.68 114.26 1pla s LEU 61 Ca 0.67 0.39 0.00 0.00 0.05 0.00 0.00 54.13 55.24 1pla s LEU 61 Cb -0.23 1.77 0.00 0.00 -2.05 0.00 0.00 46.19 45.68 1pla s LEU 61 CO 0.66 -0.48 0.00 -0.46 -0.55 0.00 0.00 176.35 175.51 1pla n ASN 62 N 1.27 0.00 0.00 1.48 0.23 -1.26 -2.01 115.26 114.96 1pla n ASN 62 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 1pla n ASN 62 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1pla n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pla n GLY 63 N 2.84 0.00 3.72 4.83 0.00 -1.26 -4.75 105.19 110.57 1pla n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pla n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla s ALA 64 N 0.00 3.36 0.00 4.61 0.00 -1.26 -2.90 121.76 125.57 1pla s ALA 64 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1pla s ALA 64 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1pla s ALA 64 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1pla n GLY 65 N 2.90 1.74 3.75 0.00 0.00 -1.24 -5.06 105.19 107.28 1pla n GLY 65 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1pla n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pla s GLU 66 N -0.97 2.99 0.12 1.61 8.01 -1.14 -4.62 118.70 124.70 1pla s GLU 66 Ca 0.00 2.01 -0.06 0.00 0.01 0.00 0.00 54.97 56.94 1pla s GLU 66 Cb 0.00 -2.06 -0.02 0.00 -4.31 0.00 0.00 34.13 27.74 1pla s GLU 66 CO 0.00 -1.24 0.16 0.95 0.01 0.00 0.00 175.26 175.14 1pla s THR 67 N -1.44 0.12 0.01 3.63 -4.23 -1.26 -2.25 115.64 110.21 1pla s THR 67 Ca 0.76 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1pla s THR 67 Cb -0.35 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1pla s THR 67 CO 0.39 -0.53 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.42 1pla s TYR 68 N -3.96 0.48 0.12 3.99 5.04 -0.89 -4.97 117.35 117.17 1pla s TYR 68 Ca 0.14 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.58 1pla s TYR 68 Cb 0.05 -0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.02 1pla s TYR 68 CO -0.04 -0.04 0.09 -1.21 -1.34 0.00 0.00 175.55 173.01 1pla s GLU 69 N -0.65 2.83 -0.17 4.97 8.01 -1.26 -1.29 118.70 131.14 1pla s GLU 69 Ca -0.03 -0.80 -0.10 0.00 0.01 0.00 0.00 54.97 54.05 1pla s GLU 69 Cb -0.05 -2.66 0.06 0.00 -4.31 0.00 0.00 34.13 27.17 1pla s GLU 69 CO -0.00 0.53 0.42 0.08 0.01 0.00 0.00 175.26 176.30 1pla s VAL 70 N -1.54 -0.02 -0.23 2.63 1.01 0.79 -4.96 120.40 118.08 1pla s VAL 70 Ca 0.29 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1pla s VAL 70 Cb -0.11 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1pla s VAL 70 CO 0.22 0.03 -0.12 -0.89 0.00 0.00 0.00 175.10 174.34 1pla s THR 71 N 1.22 1.97 0.28 3.92 2.01 -1.26 -0.19 115.64 123.59 1pla s THR 71 Ca -0.08 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.60 1pla s THR 71 Cb -0.07 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1pla s THR 71 CO -0.11 0.11 0.46 -0.76 -0.69 0.00 0.00 174.62 173.63 1pla s LEU 72 N 1.23 4.15 -0.31 4.42 1.43 -1.26 -5.04 118.68 123.30 1pla s LEU 72 Ca -0.04 0.33 0.17 0.00 -1.03 0.00 0.00 54.13 53.55 1pla s LEU 72 Cb -0.18 -3.15 0.45 0.00 0.03 0.00 0.00 46.19 43.34 1pla s LEU 72 CO -0.07 -0.17 1.32 0.41 0.23 0.00 0.00 176.35 178.07 1pla n THR 73 N -1.39 0.55 -3.49 5.49 -1.04 -1.26 -3.42 114.28 109.71 1pla n THR 73 Ca -0.06 -1.94 -0.17 0.00 -2.04 0.00 0.00 64.05 59.84 1pla n THR 73 Cb 0.56 1.09 -0.12 0.00 -1.82 0.00 0.00 70.33 70.03 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1pla s GLU 74 N -1.60 0.20 -0.41 -2.82 2.02 -1.26 -4.97 118.70 109.86 1pla s GLU 74 Ca 0.19 0.29 -0.43 0.00 0.02 0.00 0.00 54.97 55.04 1pla s GLU 74 Cb 0.40 -1.02 -0.17 0.00 0.10 0.00 0.00 34.13 33.43 1pla s GLU 74 CO -0.08 -0.62 1.85 0.36 0.02 0.00 0.00 175.26 176.79 1pla n LYS 75 N 5.33 0.52 0.00 1.61 2.85 -1.26 -4.65 118.16 122.56 1pla n LYS 75 Ca -0.05 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1pla n LYS 75 Cb 0.50 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pla n GLY 76 N 5.17 0.30 3.47 2.58 0.00 -0.88 -4.94 105.19 110.89 1pla n GLY 76 Ca 0.36 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 3.92 -0.04 2.61 -4.23 -1.26 -1.08 115.64 113.56 1pla s THR 77 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1pla s THR 77 Cb 0.00 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1pla s THR 77 CO 0.00 0.46 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.21 1pla s TYR 78 N 0.74 3.06 -0.24 3.99 1.51 -0.91 -4.54 117.35 120.96 1pla s TYR 78 Ca -0.01 0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1pla s TYR 78 Cb -0.14 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1pla s TYR 78 CO 0.02 0.43 0.08 0.15 -1.11 0.00 0.00 175.55 175.12 1pla s LYS 79 N -1.15 3.75 0.07 -0.62 -0.14 -1.26 -2.81 119.74 117.58 1pla s LYS 79 Ca 0.16 -0.44 -0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1pla s LYS 79 Cb -0.11 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 1pla s LYS 79 CO 0.05 -0.09 -0.04 -0.59 -0.76 0.00 0.00 175.35 173.92 1pla s PHE 80 N 1.35 0.66 0.08 3.18 -0.71 -0.67 -1.50 117.98 120.36 1pla s PHE 80 Ca 0.05 -1.01 -0.12 0.00 -1.04 0.00 0.00 56.93 54.81 1pla s PHE 80 Cb -0.15 -0.44 0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1pla s PHE 80 CO 0.04 -0.30 0.58 2.48 -1.34 0.00 0.00 175.22 176.68 1pla n TYR 81 N 0.05 -0.84 -3.77 3.49 4.11 -0.88 0.16 117.16 119.48 1pla n TYR 81 Ca -0.13 -0.62 -0.36 0.00 -0.00 0.00 0.00 57.90 56.79 1pla n TYR 81 Cb 0.61 0.30 -0.11 0.00 -0.00 0.00 0.00 39.34 40.13 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 7.86 0.49 -0.08 0.00 4.81 -1.91 -1.95 114.58 123.79 1pla h GLU 83 Ca -0.37 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 1pla h GLU 83 Cb 1.18 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1pla h GLU 83 CO 0.60 1.03 -0.10 -1.00 -0.73 0.00 0.00 179.01 178.81 1pla h PRO 84 N 0.33 0.21 -0.64 0.92 0.14 -1.94 -3.03 132.00 127.99 1pla h PRO 84 Ca -0.03 -0.12 0.00 0.00 0.14 0.00 0.00 66.00 65.99 1pla h PRO 84 Cb 1.32 0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.47 1pla h PRO 84 CO 0.13 0.66 0.00 0.72 0.14 0.00 0.00 178.00 179.65 1pla n HIS 85 N -4.66 0.67 0.31 1.56 8.25 -1.25 -4.15 115.22 115.94 1pla n HIS 85 Ca -0.07 -0.25 0.03 0.00 -0.26 0.00 0.00 57.72 57.16 1pla n HIS 85 Cb 0.33 -0.17 0.15 0.00 1.12 0.00 0.00 29.99 31.42 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 0.28 1.59 0.32 -1.41 0.00 -0.73 -0.99 120.51 119.56 1pla n ALA 86 Ca 0.10 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1pla n ALA 86 Cb 0.49 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 18.94 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 0.88 0.00 0.40 0.00 0.00 -1.84 -3.36 103.07 99.15 1pla h GLY 87 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1pla h GLY 87 CO 0.00 0.00 -2.02 0.00 0.00 0.00 0.00 176.54 174.52 1pla n ALA 88 N -2.02 0.99 0.00 3.60 0.00 -0.16 -4.99 120.51 117.93 1pla n ALA 88 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1pla n ALA 88 Cb 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.95 0.23 3.56 0.00 0.00 -1.20 -5.08 105.19 104.65 1pla n GLY 89 Ca -0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 2.35 0.15 1.61 0.00 -1.24 -4.93 119.30 117.24 1pla s MET 90 Ca 0.00 1.41 0.09 0.00 0.00 0.00 0.00 55.69 57.19 1pla s MET 90 Cb 0.00 -4.52 -0.04 0.00 0.00 0.00 0.00 34.83 30.27 1pla s MET 90 CO 0.00 -3.00 -0.19 0.21 0.00 0.00 0.00 175.02 172.04 1pla s LYS 91 N 7.76 1.26 0.05 4.11 2.47 -1.26 -2.69 119.74 131.44 1pla s LYS 91 Ca 0.94 -1.37 0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1pla s LYS 91 Cb -0.19 -1.38 -0.03 0.00 -1.46 0.00 0.00 37.83 34.77 1pla s LYS 91 CO 0.27 0.29 -0.06 0.20 0.16 0.00 0.00 175.35 176.21 1pla s GLY 92 N -2.51 0.48 -0.11 5.54 0.00 0.42 -4.27 107.32 106.87 1pla s GLY 92 Ca 0.14 -0.88 -0.23 0.00 0.00 0.00 0.00 44.72 43.74 1pla s GLY 92 CO 0.06 -0.96 0.57 -0.54 0.00 0.00 0.00 173.10 172.23 1pla s GLU 93 N -2.26 0.83 -0.03 2.90 2.02 -0.95 -1.67 118.70 119.54 1pla s GLU 93 Ca -0.05 0.39 -0.00 0.00 0.02 0.00 0.00 54.97 55.32 1pla s GLU 93 Cb -0.05 0.39 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1pla s GLU 93 CO -0.02 -0.20 0.02 0.54 0.02 0.00 0.00 175.26 175.61 1pla s VAL 94 N -0.63 0.07 -0.47 2.63 0.11 -1.12 -2.33 120.40 118.66 1pla s VAL 94 Ca -0.07 0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 1pla s VAL 94 Cb -0.03 -0.20 0.12 0.00 -1.53 0.00 0.00 36.38 34.74 1pla s VAL 94 CO 0.05 0.13 0.35 -0.89 -3.33 0.00 0.00 175.10 171.41 1pla s THR 95 N 1.19 4.22 0.44 5.04 2.01 -0.96 -2.14 115.64 125.44 1pla s THR 95 Ca -0.08 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 59.94 1pla s THR 95 Cb -0.13 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1pla s THR 95 CO -0.02 -0.77 0.95 -0.69 -0.69 0.00 0.00 174.62 173.40 1pla s VAL 96 N 1.36 4.42 -1.44 3.82 1.01 -0.24 -1.33 120.40 128.01 1pla s VAL 96 Ca 0.06 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.59 1pla s VAL 96 Cb -0.26 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1pla s VAL 96 CO -0.01 -0.38 0.86 -3.20 0.00 0.00 0.00 175.10 172.37