#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 3.07 0.03 0.00 2.02 -1.26 -2.17 118.70 120.39 1pla s GLU 2 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.33 1pla s GLU 2 Cb 0.00 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1pla s GLU 2 CO 0.00 0.54 -0.09 0.08 0.02 0.00 0.00 175.26 175.81 1pla s VAL 3 N -1.58 0.69 -0.31 2.63 1.01 -0.93 -4.61 120.40 117.30 1pla s VAL 3 Ca 0.32 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1pla s VAL 3 Cb -0.11 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.65 1pla s VAL 3 CO 0.24 -0.11 0.01 -0.54 0.00 0.00 0.00 175.10 174.71 1pla s LYS 4 N -1.01 2.38 -0.56 2.72 1.02 0.12 -0.03 119.74 124.38 1pla s LYS 4 Ca -0.03 -1.31 -0.28 0.00 0.02 0.00 0.00 55.97 54.37 1pla s LYS 4 Cb -0.07 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1pla s LYS 4 CO 0.00 -0.65 1.25 -0.51 -0.92 0.00 0.00 175.35 174.52 1pla s LEU 5 N 1.24 3.46 0.00 3.17 1.43 0.96 -2.55 118.68 126.39 1pla s LEU 5 Ca -0.04 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1pla s LEU 5 Cb -0.20 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1pla s LEU 5 CO -0.01 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 175.67 1pla n GLY 6 N 5.09 3.25 3.72 -3.19 0.00 -1.06 -2.80 105.19 110.19 1pla n GLY 6 Ca 0.10 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 2.85 0.13 1.61 1.04 0.81 -4.68 113.70 115.45 1pla s SER 7 Ca 0.00 1.05 0.18 0.00 0.48 0.00 0.00 55.95 57.67 1pla s SER 7 Cb 0.00 -1.66 0.78 0.00 0.10 0.00 0.00 66.02 65.24 1pla s SER 7 CO 0.00 -2.98 1.57 0.47 0.98 0.00 0.00 173.24 173.28 1pla n ASP 8 N -4.06 0.32 -2.67 7.02 8.00 -1.26 -4.46 116.55 119.45 1pla n ASP 8 Ca 0.06 0.58 -0.02 0.00 0.71 0.00 0.00 54.79 56.12 1pla n ASP 8 Cb 0.58 -0.65 0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1pla n ASP 8 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1pla s ASP 9 N -3.59 -0.15 0.00 -2.24 1.47 -1.26 -5.07 116.67 105.83 1pla s ASP 9 Ca 0.05 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.63 1pla s ASP 9 Cb 0.09 0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.86 1pla s ASP 9 CO 0.31 -0.01 0.00 0.61 0.68 0.00 0.00 175.17 176.76 1pla n GLY 10 N 2.74 0.63 0.00 2.12 0.00 -1.26 -5.13 105.19 104.29 1pla n GLY 10 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1pla n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pla n GLY 11 N -0.14 2.28 2.98 -0.02 0.00 -1.26 -4.90 105.19 104.12 1pla n GLY 11 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 4.94 0.07 0.99 1.43 -1.26 -0.13 118.68 124.72 1pla s LEU 12 Ca 0.00 -3.52 -0.01 0.00 -1.03 0.00 0.00 54.13 49.57 1pla s LEU 12 Cb 0.00 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1pla s LEU 12 CO 0.00 -0.17 -0.01 0.68 0.23 0.00 0.00 176.35 177.08 1pla s VAL 13 N -1.01 0.22 -0.45 -1.59 -7.23 -1.26 -4.30 120.40 104.78 1pla s VAL 13 Ca 0.23 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 1pla s VAL 13 Cb -0.12 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1pla s VAL 13 CO -0.10 -0.85 1.22 -0.36 -0.31 0.00 0.00 175.10 174.70 1pla s PHE 14 N -3.94 2.70 -0.33 2.82 0.08 -1.26 -2.57 117.98 115.49 1pla s PHE 14 Ca 0.12 0.73 -0.01 0.00 0.12 0.00 0.00 56.93 57.89 1pla s PHE 14 Cb 0.08 -4.36 0.07 0.00 -0.57 0.00 0.00 43.02 38.24 1pla s PHE 14 CO -0.07 -1.48 0.04 -1.12 -0.10 0.00 0.00 175.22 172.50 1pla s SER 15 N 2.87 4.91 1.19 1.36 0.01 -1.06 -0.60 113.70 122.39 1pla s SER 15 Ca 0.52 -1.58 -0.17 0.00 1.31 0.00 0.00 55.95 56.03 1pla s SER 15 Cb -0.09 -1.71 0.28 0.00 0.21 0.00 0.00 66.02 64.71 1pla s SER 15 CO 0.31 -0.33 1.06 -2.16 0.41 0.00 0.00 173.24 172.52 1pla s PRO 16 N 1.16 -1.13 -0.19 12.44 0.05 -1.26 0.14 135.00 146.21 1pla s PRO 16 Ca -0.00 0.26 -0.15 0.00 0.05 0.00 0.00 61.00 61.15 1pla s PRO 16 Cb -0.20 -1.58 -0.10 0.00 0.05 0.00 0.00 34.50 32.67 1pla s PRO 16 CO -0.03 -3.72 -0.11 0.45 0.05 0.00 0.00 177.00 173.64 1pla n SER 17 N -4.82 1.87 -4.20 6.66 2.88 0.23 -4.87 113.62 111.37 1pla n SER 17 Ca 0.09 0.47 -0.26 0.00 -1.33 0.00 0.00 58.87 57.84 1pla n SER 17 Cb 0.58 -0.87 -0.15 0.00 -0.75 0.00 0.00 64.21 63.01 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pla s SER 18 N -6.43 2.27 -0.23 -3.46 0.01 -1.26 -2.29 113.70 102.31 1pla s SER 18 Ca -0.26 -0.36 -0.15 0.00 1.31 0.00 0.00 55.95 56.49 1pla s SER 18 Cb 0.06 -0.25 0.07 0.00 0.21 0.00 0.00 66.02 66.11 1pla s SER 18 CO 0.42 0.23 0.58 0.72 0.41 0.00 0.00 173.24 175.61 1pla s PHE 19 N -0.48 -0.84 0.33 2.43 -0.71 -1.00 -5.01 117.98 112.71 1pla s PHE 19 Ca 0.07 1.77 -0.11 0.00 -1.04 0.00 0.00 56.93 57.62 1pla s PHE 19 Cb -0.08 0.44 -0.07 0.00 -1.21 0.00 0.00 43.02 42.10 1pla s PHE 19 CO -0.01 -0.43 0.69 0.95 -1.34 0.00 0.00 175.22 175.08 1pla s THR 20 N 1.29 4.82 0.31 -4.49 -4.23 -1.26 -2.19 115.64 109.89 1pla s THR 20 Ca -0.08 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 1pla s THR 20 Cb -0.06 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1pla s THR 20 CO -0.13 -0.32 0.42 0.68 -0.54 0.00 0.00 174.62 174.73 1pla s VAL 21 N -2.12 0.00 0.35 2.29 -7.23 0.31 -4.85 120.40 109.14 1pla s VAL 21 Ca 0.50 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1pla s VAL 21 Cb -0.10 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1pla s VAL 21 CO 0.25 0.00 0.64 0.00 -0.31 0.00 0.00 175.10 175.69 1pla s ALA 22 N -3.38 3.53 -1.09 1.32 0.00 -1.26 0.31 121.76 121.19 1pla s ALA 22 Ca 0.31 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 1pla s ALA 22 Cb 0.01 -2.43 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 1pla s ALA 22 CO 0.18 0.07 2.29 0.00 0.00 0.00 0.00 175.76 178.30 1pla n ALA 23 N -1.29 5.27 0.00 0.00 0.00 -1.26 -2.35 120.51 120.88 1pla n ALA 23 Ca -0.01 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1pla n ALA 23 Cb 0.54 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 3.80 0.00 3.53 0.00 0.00 -1.26 -4.87 105.19 106.38 1pla n GLY 24 Ca 0.53 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 3.80 0.55 1.61 -6.30 -0.99 -5.08 118.70 112.28 1pla s GLU 25 Ca 0.00 -0.42 -0.19 0.00 -2.50 0.00 0.00 54.97 51.86 1pla s GLU 25 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 34.13 30.75 1pla s GLU 25 CO 0.00 -0.03 1.13 -1.59 0.02 0.00 0.00 175.26 174.79 1pla s LYS 26 N 1.22 3.32 0.08 4.30 -2.85 -1.26 -4.61 119.74 119.94 1pla s LYS 26 Ca 0.05 1.60 0.09 0.00 -1.00 0.00 0.00 55.97 56.71 1pla s LYS 26 Cb -0.14 -2.00 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1pla s LYS 26 CO 0.04 -0.87 -0.23 0.42 0.10 0.00 0.00 175.35 174.80 1pla s ILE 27 N -1.80 1.90 -0.08 3.79 1.01 -0.59 -3.33 121.20 122.10 1pla s ILE 27 Ca 0.72 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1pla s ILE 27 Cb -0.24 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1pla s ILE 27 CO 0.28 0.13 0.06 0.42 0.00 0.00 0.00 174.94 175.83 1pla s THR 28 N -0.97 -0.02 0.36 2.92 -4.23 -0.92 -1.48 115.64 111.31 1pla s THR 28 Ca 0.09 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.68 1pla s THR 28 Cb -0.10 -0.32 -0.09 0.00 1.34 0.00 0.00 72.50 73.33 1pla s THR 28 CO 0.04 0.08 0.80 -0.36 -0.54 0.00 0.00 174.62 174.63 1pla s PHE 29 N 2.13 3.37 -0.06 3.99 0.08 0.52 -2.19 117.98 125.81 1pla s PHE 29 Ca 0.04 1.30 -0.05 0.00 0.12 0.00 0.00 56.93 58.34 1pla s PHE 29 Cb -0.13 -2.61 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1pla s PHE 29 CO -0.05 0.01 0.17 0.21 -0.10 0.00 0.00 175.22 175.46 1pla s LYS 30 N -3.15 0.18 -0.03 0.44 2.20 0.95 -1.82 119.74 118.51 1pla s LYS 30 Ca 0.56 0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 56.18 1pla s LYS 30 Cb -0.10 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1pla s LYS 30 CO 0.18 -0.04 0.75 0.54 -0.36 0.00 0.00 175.35 176.42 1pla s ASN 31 N 0.23 7.09 -0.09 1.43 2.20 -1.03 -0.03 114.94 124.74 1pla s ASN 31 Ca -0.01 1.32 0.06 0.00 -0.94 0.00 0.00 52.86 53.28 1pla s ASN 31 Cb -0.02 -2.45 -0.10 0.00 -2.00 0.00 0.00 41.25 36.68 1pla s ASN 31 CO -0.01 -0.10 -0.00 -0.46 -2.94 0.00 0.00 177.10 173.60 1pla n ASN 32 N 3.52 2.95 0.00 3.54 6.94 -1.12 -3.73 115.26 127.36 1pla n ASN 32 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1pla n ASN 32 Cb 0.51 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 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 -2.44 0.00 -2.79 -2.53 0.00 -1.25 -4.97 120.51 106.54 1pla n ALA 33 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1pla n ALA 33 Cb 0.76 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.26 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 0.00 2.05 3.91 0.00 0.00 -1.24 -4.90 105.19 105.01 1pla n GLY 34 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N -3.78 3.47 0.15 1.61 -0.71 -1.26 -4.06 117.98 113.40 1pla s PHE 35 Ca 0.28 0.81 -0.30 0.00 -1.04 0.00 0.00 56.93 56.68 1pla s PHE 35 Cb 0.33 -2.49 -0.07 0.00 -1.21 0.00 0.00 43.02 39.58 1pla s PHE 35 CO -0.03 -0.50 1.00 -1.25 -1.34 0.00 0.00 175.22 173.10 1pla s PRO 36 N -4.87 4.69 0.43 1.99 0.04 -1.26 -5.07 135.00 130.94 1pla s PRO 36 Ca 0.50 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1pla s PRO 36 Cb -0.10 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.17 1pla s PRO 36 CO 0.46 0.22 0.58 0.72 0.04 0.00 0.00 177.00 179.02 1pla n HIS 37 N 2.46 -2.45 -3.56 0.56 8.25 -0.95 -4.91 115.22 114.63 1pla n HIS 37 Ca 0.02 -1.56 -0.16 0.00 -0.26 0.00 0.00 57.72 55.76 1pla n HIS 37 Cb 0.48 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.64 -0.65 -0.16 0.41 3.04 -1.26 -3.38 114.94 109.31 1pla s ASN 38 Ca 0.44 0.90 -0.01 0.00 0.04 0.00 0.00 52.86 54.23 1pla s ASN 38 Cb -0.04 0.79 0.04 0.00 -1.54 0.00 0.00 41.25 40.50 1pla s ASN 38 CO 0.28 -0.47 -0.03 -0.63 -3.04 0.00 0.00 177.10 173.21 1pla s ILE 39 N -0.70 0.90 -0.01 -5.21 1.01 -1.26 -3.79 121.20 112.14 1pla s ILE 39 Ca -0.07 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1pla s ILE 39 Cb -0.02 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1pla s ILE 39 CO 0.06 0.08 -0.03 -0.69 0.00 0.00 0.00 174.94 174.37 1pla s VAL 40 N 1.72 0.28 -0.17 2.92 1.01 -0.91 0.68 120.40 125.93 1pla s VAL 40 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1pla s VAL 40 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1pla s VAL 40 CO -0.07 0.10 0.41 -0.36 0.00 0.00 0.00 175.10 175.18 1pla s PHE 41 N 0.21 3.43 0.10 5.22 0.08 -1.26 -2.06 117.98 123.69 1pla s PHE 41 Ca -0.02 0.71 -0.31 0.00 0.12 0.00 0.00 56.93 57.44 1pla s PHE 41 Cb -0.05 -2.51 -0.09 0.00 -0.57 0.00 0.00 43.02 39.80 1pla s PHE 41 CO -0.00 0.09 1.69 0.16 -0.10 0.00 0.00 175.22 177.06 1pla s ASP 42 N 0.81 6.55 0.11 1.36 1.47 -0.93 -4.90 116.67 121.14 1pla s ASP 42 Ca 0.21 2.59 -0.21 0.00 1.18 0.00 0.00 52.55 56.32 1pla s ASP 42 Cb -0.15 -2.57 -0.07 0.00 -0.34 0.00 0.00 42.92 39.80 1pla s ASP 42 CO 0.08 -0.92 1.72 -0.33 0.68 0.00 0.00 175.17 176.40 1pla h GLU 43 N 8.19 0.01 -0.16 2.11 5.08 -1.95 -2.72 114.58 125.14 1pla h GLU 43 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1pla h GLU 43 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1pla h GLU 43 CO 0.93 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.70 1pla n ASP 44 N -5.15 1.00 -2.31 1.42 8.00 -1.26 -3.79 116.55 114.45 1pla n ASP 44 Ca -0.04 -1.87 -0.16 0.00 0.71 0.00 0.00 54.79 53.43 1pla n ASP 44 Cb 0.09 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.01 2.96 -4.14 -1.24 1.02 -1.03 -5.04 120.64 113.17 1pla n GLU 45 Ca 0.09 -3.95 -0.12 0.00 -0.02 0.00 0.00 57.16 53.17 1pla n GLU 45 Cb 0.18 -2.05 -0.11 0.00 -0.02 0.00 0.00 31.44 29.45 1pla n GLU 45 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pla s VAL 46 N -4.34 0.67 0.50 2.62 0.11 -1.24 -3.27 120.40 115.45 1pla s VAL 46 Ca 0.43 -1.63 -0.20 0.00 -2.93 0.00 0.00 61.98 57.65 1pla s VAL 46 Cb 0.38 -1.31 -0.10 0.00 -1.53 0.00 0.00 36.38 33.82 1pla s VAL 46 CO 0.01 -0.68 0.54 -2.65 -3.33 0.00 0.00 175.10 168.98 1pla n PRO 47 N 0.50 0.57 -1.74 1.54 -0.02 -1.26 -4.78 135.00 129.82 1pla n PRO 47 Ca -0.16 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1pla n PRO 47 Cb 0.58 -1.63 -0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pla n ALA 48 N -1.31 5.38 0.00 3.55 0.00 -1.26 -3.06 120.51 123.80 1pla n ALA 48 Ca 0.11 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1pla n ALA 48 Cb 0.44 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 4.17 0.07 3.34 0.00 0.00 -1.26 -5.09 105.19 106.42 1pla n GLY 49 Ca 0.52 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 5.03 0.54 1.61 1.01 -1.17 -5.04 120.40 122.38 1pla s VAL 50 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 1pla s VAL 50 Cb 0.00 -4.42 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1pla s VAL 50 CO 0.00 -1.00 0.38 0.59 0.00 0.00 0.00 175.10 175.06 1pla n ASN 51 N 5.76 -1.63 -0.30 3.32 3.02 -1.26 -4.75 115.26 119.41 1pla n ASN 51 Ca -0.11 0.73 0.12 0.00 -0.03 0.00 0.00 54.58 55.29 1pla n ASN 51 Cb 0.41 -1.09 0.19 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.58 3.43 0.02 5.41 0.00 -1.26 -4.05 120.51 122.47 1pla n ALA 52 Ca 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 1pla n ALA 52 Cb 0.47 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1pla n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pla h GLU 53 N 1.49 0.00 0.00 0.00 4.39 -1.92 -2.26 114.58 116.28 1pla h GLU 53 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1pla h GLU 53 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1pla h GLU 53 CO 0.00 0.67 -0.45 0.87 -1.16 0.00 0.00 179.01 178.94 1pla h LYS 54 N 0.00 0.00 0.00 2.33 1.79 -1.96 -3.22 116.57 115.51 1pla h LYS 54 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1pla h LYS 54 Cb 1.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1pla h LYS 54 CO 0.10 0.45 -1.24 0.44 -1.08 0.00 0.00 179.45 178.12 1pla n ILE 55 N -3.65 0.00 -0.93 1.86 -5.35 -1.25 -5.00 119.36 105.04 1pla n ILE 55 Ca -0.01 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 61.93 1pla n ILE 55 Cb 0.53 0.57 0.23 0.00 -1.74 0.00 0.00 39.64 39.23 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 -3.17 1.25 -0.44 7.28 0.01 -0.85 -4.83 113.70 112.94 1pla s SER 56 Ca 0.00 1.00 0.06 0.00 1.31 0.00 0.00 55.95 58.31 1pla s SER 56 Cb 0.11 -1.51 0.20 0.00 0.21 0.00 0.00 66.02 65.03 1pla s SER 56 CO 0.66 -3.96 0.44 1.67 0.41 0.00 0.00 173.24 172.46 1pla n GLN 57 N -4.70 0.66 0.32 12.44 7.27 0.21 -4.95 117.38 128.63 1pla n GLN 57 Ca 0.08 -3.40 0.19 0.00 0.07 0.00 0.00 57.00 53.94 1pla n GLN 57 Cb 0.58 -1.61 1.09 0.00 2.41 0.00 0.00 30.24 32.71 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 4.97 0.00 -5.50 3.69 0.11 -1.94 -3.39 132.00 129.94 1pla h PRO 58 Ca 0.19 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.65 1pla h PRO 58 Cb 0.87 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.83 1pla h PRO 58 CO 0.46 0.00 0.31 -1.21 -0.21 0.00 0.00 178.00 177.35 1pla s GLU 59 N -4.36 3.27 1.18 1.05 0.41 -1.26 -5.03 118.70 113.95 1pla s GLU 59 Ca -0.05 -0.46 -0.16 0.00 -0.41 0.00 0.00 54.97 53.89 1pla s GLU 59 Cb 0.14 -4.04 0.22 0.00 -1.78 0.00 0.00 34.13 28.67 1pla s GLU 59 CO 0.47 -1.29 0.55 0.66 -0.49 0.00 0.00 175.26 175.17 1pla n TYR 60 N 6.78 -1.55 -3.76 1.61 4.02 -1.26 -4.96 117.16 118.04 1pla n TYR 60 Ca -0.01 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.90 57.64 1pla n TYR 60 Cb 0.47 -1.60 -0.16 0.00 -0.02 0.00 0.00 39.34 38.03 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1pla s LEU 61 N -4.62 1.00 -0.00 7.72 0.05 -1.22 -5.00 118.68 116.61 1pla s LEU 61 Ca 0.63 0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.87 1pla s LEU 61 Cb -0.19 -0.04 0.01 0.00 -2.05 0.00 0.00 46.19 43.92 1pla s LEU 61 CO 0.65 -0.14 0.82 -0.46 -0.55 0.00 0.00 176.35 176.67 1pla n ASN 62 N 4.25 1.24 -4.65 1.48 0.23 -1.26 -2.23 115.26 114.32 1pla n ASN 62 Ca -0.27 -1.65 -0.43 0.00 -0.53 0.00 0.00 54.58 51.70 1pla n ASN 62 Cb 0.50 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.17 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pla s GLY 63 N -0.67 1.62 -0.38 4.83 0.00 -1.26 -4.93 107.32 106.53 1pla s GLY 63 Ca 0.01 0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 1pla s GLY 63 CO 0.00 2.36 2.22 0.00 0.00 0.00 0.00 173.10 177.68 1pla s ALA 64 N 3.53 2.25 0.00 3.20 0.00 -1.26 -0.47 121.76 129.00 1pla s ALA 64 Ca 0.49 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1pla s ALA 64 Cb -0.17 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1pla s ALA 64 CO 0.13 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.74 1pla n GLY 65 N 5.82 0.53 3.68 0.00 0.00 -1.24 -5.08 105.19 108.89 1pla n GLY 65 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1pla n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 66 N -0.79 1.13 0.13 1.61 2.56 0.38 -4.68 118.70 119.05 1pla s GLU 66 Ca 0.00 1.36 -0.09 0.00 0.00 0.00 0.00 54.97 56.24 1pla s GLU 66 Cb 0.00 -1.75 -0.00 0.00 2.00 0.00 0.00 34.13 34.37 1pla s GLU 66 CO 0.00 -2.49 0.25 0.95 -0.56 0.00 0.00 175.26 173.41 1pla s THR 67 N -2.71 0.09 -0.01 -1.70 -4.23 -1.26 -2.47 115.64 103.36 1pla s THR 67 Ca 0.65 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1pla s THR 67 Cb -0.21 -1.64 -0.00 0.00 1.34 0.00 0.00 72.50 71.99 1pla s THR 67 CO 0.58 -0.43 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.71 1pla s TYR 68 N -3.92 0.52 0.14 3.99 5.04 -0.76 -4.94 117.35 117.42 1pla s TYR 68 Ca 0.12 -0.10 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 1pla s TYR 68 Cb 0.04 -0.35 -0.04 0.00 0.35 0.00 0.00 41.96 41.96 1pla s TYR 68 CO -0.04 -0.02 0.07 -1.21 -1.34 0.00 0.00 175.55 173.00 1pla s GLU 69 N -0.04 2.70 -0.28 4.97 2.02 -1.26 -0.36 118.70 126.45 1pla s GLU 69 Ca 0.01 -0.90 -0.19 0.00 0.02 0.00 0.00 54.97 53.92 1pla s GLU 69 Cb -0.03 -2.56 0.09 0.00 0.10 0.00 0.00 34.13 31.72 1pla s GLU 69 CO -0.00 0.50 0.75 0.54 0.02 0.00 0.00 175.26 177.07 1pla s VAL 70 N -1.61 0.00 -0.42 2.63 0.11 -0.55 -5.00 120.40 115.57 1pla s VAL 70 Ca 0.29 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 1pla s VAL 70 Cb -0.10 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.86 1pla s VAL 70 CO 0.21 0.00 0.15 -0.89 -3.33 0.00 0.00 175.10 171.24 1pla s THR 71 N 1.23 2.45 0.58 5.04 2.01 -1.26 -1.54 115.64 124.15 1pla s THR 71 Ca -0.07 -2.77 -0.12 0.00 0.31 0.00 0.00 61.69 59.04 1pla s THR 71 Cb -0.05 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1pla s THR 71 CO -0.14 -0.69 1.00 -0.76 -0.69 0.00 0.00 174.62 173.34 1pla s LEU 72 N 0.38 3.36 0.00 4.42 1.43 -1.26 -5.00 118.68 122.01 1pla s LEU 72 Ca 0.14 1.43 0.10 0.00 -1.03 0.00 0.00 54.13 54.76 1pla s LEU 72 Cb -0.22 -4.44 0.16 0.00 0.03 0.00 0.00 46.19 41.72 1pla s LEU 72 CO -0.04 -0.78 1.02 0.35 0.23 0.00 0.00 176.35 177.13 1pla n THR 73 N -2.40 0.00 -3.81 5.49 -2.24 -1.26 -4.16 114.28 105.90 1pla n THR 73 Ca 0.06 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 1pla n THR 73 Cb 0.54 0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1pla n THR 73 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pla s GLU 74 N 0.00 2.02 -0.96 -0.78 2.56 -1.26 -4.94 118.70 115.33 1pla s GLU 74 Ca 0.13 -2.00 -0.27 0.00 0.00 0.00 0.00 54.97 52.83 1pla s GLU 74 Cb 0.15 -3.54 -0.23 0.00 2.00 0.00 0.00 34.13 32.51 1pla s GLU 74 CO -0.06 -1.07 2.58 1.17 -0.56 0.00 0.00 175.26 177.31 1pla n LYS 75 N 4.26 0.08 0.00 4.30 4.81 -1.26 -4.43 118.16 125.91 1pla n LYS 75 Ca 0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1pla n LYS 75 Cb 0.40 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pla n GLY 76 N 6.29 -0.75 3.08 3.14 0.00 -0.38 -4.94 105.19 111.64 1pla n GLY 76 Ca 0.64 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 1pla n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pla s THR 77 N -1.67 0.02 -0.08 2.61 2.01 -1.26 -1.59 115.64 115.68 1pla s THR 77 Ca 0.00 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1pla s THR 77 Cb 0.00 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1pla s THR 77 CO 0.00 -0.07 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.42 1pla s TYR 78 N -0.20 1.57 -0.26 4.92 1.51 -0.90 -4.22 117.35 119.77 1pla s TYR 78 Ca -0.03 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1pla s TYR 78 Cb -0.03 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1pla s TYR 78 CO 0.01 -0.33 0.09 0.15 -1.11 0.00 0.00 175.55 174.35 1pla s LYS 79 N 0.81 3.58 0.40 -0.62 3.01 -1.20 -2.32 119.74 123.40 1pla s LYS 79 Ca -0.12 -0.53 0.04 0.00 -1.01 0.00 0.00 55.97 54.35 1pla s LYS 79 Cb -0.15 -3.38 -0.05 0.00 -1.01 0.00 0.00 37.83 33.23 1pla s LYS 79 CO 0.02 -0.24 0.04 -0.59 0.51 0.00 0.00 175.35 175.09 1pla s PHE 80 N 1.61 2.09 0.10 3.18 -0.71 0.65 -2.18 117.98 122.72 1pla s PHE 80 Ca 0.06 -0.92 -0.26 0.00 -1.04 0.00 0.00 56.93 54.77 1pla s PHE 80 Cb -0.16 -1.48 0.09 0.00 -1.21 0.00 0.00 43.02 40.26 1pla s PHE 80 CO 0.04 0.14 1.12 1.52 -1.34 0.00 0.00 175.22 176.70 1pla s TYR 81 N -3.02 -0.00 -0.22 3.49 1.13 -0.88 0.82 117.35 118.67 1pla s TYR 81 Ca 0.28 -0.26 -0.11 0.00 -1.41 0.00 0.00 57.07 55.57 1pla s TYR 81 Cb 0.07 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.51 1pla s TYR 81 CO 0.14 -0.64 0.16 0.00 -2.51 0.00 0.00 175.55 172.69 1pla h GLU 83 N 7.17 0.39 0.09 0.00 4.22 -1.91 -2.44 114.58 122.10 1pla h GLU 83 Ca -0.39 -0.34 -0.00 0.00 0.08 0.00 0.00 59.36 58.71 1pla h GLU 83 Cb 1.16 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1pla h GLU 83 CO 0.70 0.98 -0.04 -1.00 -2.18 0.00 0.00 179.01 177.47 1pla h PRO 84 N 0.26 -0.11 -0.49 0.92 0.14 -1.93 -3.12 132.00 127.67 1pla h PRO 84 Ca -0.04 0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.11 1pla h PRO 84 Cb 1.35 0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.51 1pla h PRO 84 CO 0.13 0.41 0.00 0.72 0.14 0.00 0.00 178.00 179.40 1pla n HIS 85 N -4.86 0.11 0.20 1.56 8.25 -1.25 -3.97 115.22 115.25 1pla n HIS 85 Ca -0.08 -0.04 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1pla n HIS 85 Cb 0.29 -0.06 0.11 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.16 1.38 0.18 -1.41 0.00 -0.92 -1.19 120.51 118.39 1pla n ALA 86 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1pla n ALA 86 Cb 0.17 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 0.72 0.00 0.53 0.00 0.00 -1.84 -3.26 103.07 99.22 1pla h GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1pla h GLY 87 CO 0.00 0.00 -1.60 0.00 0.00 0.00 0.00 176.54 174.94 1pla n ALA 88 N -2.15 2.38 0.00 3.60 0.00 -0.33 -4.96 120.51 119.05 1pla n ALA 88 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1pla n ALA 88 Cb 0.59 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 1.32 1.27 3.54 0.00 0.00 -1.20 -5.01 105.19 105.11 1pla n GLY 89 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1pla n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pla n MET 90 N -1.07 0.48 -4.39 1.61 0.00 -1.23 -4.88 117.12 107.64 1pla n MET 90 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 57.70 57.01 1pla n MET 90 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 33.22 30.25 1pla n MET 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1pla s LYS 91 N 8.39 1.91 0.02 2.12 -0.14 -1.26 -2.27 119.74 128.51 1pla s LYS 91 Ca 1.06 -1.57 0.01 0.00 -1.36 0.00 0.00 55.97 54.11 1pla s LYS 91 Cb -0.39 -1.95 -0.02 0.00 -1.68 0.00 0.00 37.83 33.79 1pla s LYS 91 CO 0.26 0.36 -0.05 0.20 -0.76 0.00 0.00 175.35 175.35 1pla s GLY 92 N -3.39 0.34 -0.04 -3.33 0.00 0.24 -4.28 107.32 96.85 1pla s GLY 92 Ca 0.29 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.36 1pla s GLY 92 CO 0.16 -0.55 0.29 1.85 0.00 0.00 0.00 173.10 174.86 1pla s GLU 93 N -1.04 0.56 -0.02 2.90 2.12 -0.97 -0.25 118.70 122.01 1pla s GLU 93 Ca -0.07 -0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.23 1pla s GLU 93 Cb -0.07 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.60 1pla s GLU 93 CO -0.00 -0.14 0.03 0.54 -0.54 0.00 0.00 175.26 175.16 1pla s VAL 94 N -0.90 -0.06 -0.47 3.70 0.11 -0.98 -2.37 120.40 119.43 1pla s VAL 94 Ca -0.10 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 1pla s VAL 94 Cb -0.05 -0.08 0.11 0.00 -1.53 0.00 0.00 36.38 34.83 1pla s VAL 94 CO 0.03 0.09 0.35 -0.89 -3.33 0.00 0.00 175.10 171.35 1pla s THR 95 N 1.09 4.32 0.25 5.04 2.01 -0.93 -2.13 115.64 125.30 1pla s THR 95 Ca -0.09 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 59.97 1pla s THR 95 Cb -0.13 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1pla s THR 95 CO -0.03 -0.74 0.85 -0.69 -0.69 0.00 0.00 174.62 173.31 1pla s VAL 96 N 1.40 4.33 0.00 3.82 1.01 -0.62 -0.53 120.40 129.80 1pla s VAL 96 Ca 0.05 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1pla s VAL 96 Cb -0.26 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1pla s VAL 96 CO 0.00 0.28 0.00 -0.46 0.00 0.00 0.00 175.10 174.92