#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 3.24 -0.24 0.00 2.02 -1.26 -1.69 118.70 120.77 1pla s GLU 2 Ca 0.00 -0.71 -0.09 0.00 0.02 0.00 0.00 54.97 54.19 1pla s GLU 2 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1pla s GLU 2 CO 0.00 -0.15 0.12 0.08 0.02 0.00 0.00 175.26 175.33 1pla s VAL 3 N 1.26 4.94 -0.39 2.63 1.01 -0.34 -4.58 120.40 124.93 1pla s VAL 3 Ca 0.03 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 1pla s VAL 3 Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1pla s VAL 3 CO -0.05 0.35 0.74 -0.54 0.00 0.00 0.00 175.10 175.59 1pla s LYS 4 N 1.22 3.60 -0.49 2.72 1.02 0.17 0.15 119.74 128.13 1pla s LYS 4 Ca 0.06 0.07 -0.28 0.00 0.02 0.00 0.00 55.97 55.84 1pla s LYS 4 Cb -0.14 -3.86 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 1pla s LYS 4 CO 0.05 -0.91 1.41 -0.51 -0.92 0.00 0.00 175.35 174.47 1pla s LEU 5 N 3.03 3.49 0.00 3.17 1.43 0.49 -2.69 118.68 127.60 1pla s LEU 5 Ca 0.28 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1pla s LEU 5 Cb -0.13 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1pla s LEU 5 CO 0.18 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.79 1pla n GLY 6 N 5.17 2.04 3.71 -3.19 0.00 -1.01 -2.13 105.19 109.77 1pla n GLY 6 Ca 0.14 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 2.63 0.05 1.61 1.04 0.12 -4.48 113.70 114.66 1pla s SER 7 Ca 0.00 1.00 -0.21 0.00 0.48 0.00 0.00 55.95 57.21 1pla s SER 7 Cb 0.00 -1.56 -0.13 0.00 0.10 0.00 0.00 66.02 64.43 1pla s SER 7 CO 0.00 -3.11 1.47 0.44 0.98 0.00 0.00 173.24 173.02 1pla h ASP 8 N -1.88 0.24 0.00 7.02 3.32 -1.95 -3.34 116.42 119.83 1pla h ASP 8 Ca -0.52 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1pla h ASP 8 Cb 1.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1pla h ASP 8 CO 0.55 0.51 0.00 -0.90 -1.72 0.00 0.00 179.24 177.68 1pla n ASP 9 N -4.76 0.00 0.00 6.45 5.75 -1.26 -4.86 116.55 117.87 1pla n ASP 9 Ca -0.06 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.66 1pla n ASP 9 Cb 0.22 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.95 0.00 3.90 6.12 0.00 -1.25 -5.15 105.19 107.86 1pla n GLY 10 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.99 -0.56 -0.02 0.00 -1.26 -4.89 107.32 102.58 1pla s GLY 11 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.09 1pla s GLY 11 CO 0.00 -0.41 0.46 1.08 0.00 0.00 0.00 173.10 174.22 1pla s LEU 12 N -3.27 5.93 0.03 0.66 1.43 -1.26 0.13 118.68 122.34 1pla s LEU 12 Ca 0.44 -2.11 -0.14 0.00 -1.03 0.00 0.00 54.13 51.29 1pla s LEU 12 Cb -0.11 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1pla s LEU 12 CO 0.27 -0.68 0.31 0.68 0.23 0.00 0.00 176.35 177.17 1pla s VAL 13 N 1.08 0.08 -0.44 -1.59 -7.23 -1.26 -4.25 120.40 106.77 1pla s VAL 13 Ca 0.08 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.34 1pla s VAL 13 Cb -0.24 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 35.84 1pla s VAL 13 CO -0.01 -0.34 1.22 -0.36 -0.31 0.00 0.00 175.10 175.29 1pla s PHE 14 N -2.32 2.71 -0.29 2.82 0.40 -1.26 -2.41 117.98 117.63 1pla s PHE 14 Ca -0.07 0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1pla s PHE 14 Cb -0.02 -4.34 0.05 0.00 0.51 0.00 0.00 43.02 39.22 1pla s PHE 14 CO -0.02 -1.46 -0.02 -1.12 0.70 0.00 0.00 175.22 173.30 1pla s SER 15 N 2.84 4.77 1.24 1.36 0.01 -1.10 -0.77 113.70 122.05 1pla s SER 15 Ca 0.52 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.34 1pla s SER 15 Cb -0.10 -1.68 0.30 0.00 0.21 0.00 0.00 66.02 64.75 1pla s SER 15 CO 0.31 -0.24 1.02 -2.84 0.41 0.00 0.00 173.24 171.90 1pla s PRO 16 N 1.23 -1.50 -0.05 12.44 0.02 -1.26 0.46 135.00 146.34 1pla s PRO 16 Ca -0.05 0.32 -0.06 0.00 0.02 0.00 0.00 61.00 61.23 1pla s PRO 16 Cb -0.20 -1.53 -0.02 0.00 0.02 0.00 0.00 34.50 32.78 1pla s PRO 16 CO -0.02 -3.98 -0.11 0.45 -0.33 0.00 0.00 177.00 173.01 1pla n SER 17 N -5.02 0.66 -4.26 2.53 2.88 0.05 -4.88 113.62 105.59 1pla n SER 17 Ca 0.09 0.11 -0.32 0.00 -1.33 0.00 0.00 58.87 57.42 1pla n SER 17 Cb 0.58 -0.52 -0.16 0.00 -0.75 0.00 0.00 64.21 63.35 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 -4.79 3.23 0.27 -3.46 0.01 -1.26 -2.15 113.70 105.54 1pla s SER 18 Ca -0.09 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.45 1pla s SER 18 Cb 0.01 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 65.02 1pla s SER 18 CO 0.13 0.19 0.77 0.72 0.41 0.00 0.00 173.24 175.47 1pla s PHE 19 N 0.16 -0.15 0.27 2.43 -0.71 -1.05 -4.99 117.98 113.94 1pla s PHE 19 Ca -0.13 -0.31 0.06 0.00 -1.04 0.00 0.00 56.93 55.52 1pla s PHE 19 Cb -0.16 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 1pla s PHE 19 CO 0.07 -1.20 0.31 0.95 -1.34 0.00 0.00 175.22 174.01 1pla s THR 20 N -3.64 4.57 -0.00 -4.49 -4.23 -1.26 -0.54 115.64 106.05 1pla s THR 20 Ca 0.12 -1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1pla s THR 20 Cb -0.05 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.27 1pla s THR 20 CO 0.07 -0.29 0.29 0.68 -0.54 0.00 0.00 174.62 174.83 1pla s VAL 21 N -2.11 0.07 0.29 2.29 -7.23 -0.34 -4.84 120.40 108.53 1pla s VAL 21 Ca 0.36 -0.54 -0.28 0.00 -1.81 0.00 0.00 61.98 59.71 1pla s VAL 21 Cb -0.08 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 1pla s VAL 21 CO 0.28 -0.30 0.97 0.00 -0.31 0.00 0.00 175.10 175.74 1pla s ALA 22 N -1.59 3.28 -0.80 1.32 0.00 -1.26 -1.26 121.76 121.45 1pla s ALA 22 Ca -0.12 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1pla s ALA 22 Cb -0.04 -3.22 -0.28 0.00 0.00 0.00 0.00 23.12 19.58 1pla s ALA 22 CO 0.03 0.11 1.98 0.00 0.00 0.00 0.00 175.76 177.88 1pla n ALA 23 N 0.99 0.35 0.00 0.00 0.00 -0.39 -1.31 120.51 120.15 1pla n ALA 23 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1pla n ALA 23 Cb 0.48 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 5.84 -0.15 3.79 0.00 0.00 -1.24 -4.93 105.19 108.50 1pla n GLY 24 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 3.11 -0.08 1.61 2.56 -0.43 -5.07 118.70 120.41 1pla s GLU 25 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.97 54.39 1pla s GLU 25 Cb 0.00 -2.89 -0.05 0.00 2.00 0.00 0.00 34.13 33.19 1pla s GLU 25 CO 0.00 0.66 0.32 -1.59 -0.56 0.00 0.00 175.26 174.09 1pla s LYS 26 N -1.68 3.95 -0.30 4.30 -2.85 -1.26 -4.21 119.74 117.69 1pla s LYS 26 Ca 0.22 0.21 -0.06 0.00 -1.00 0.00 0.00 55.97 55.34 1pla s LYS 26 Cb -0.12 -3.29 0.02 0.00 -2.06 0.00 0.00 37.83 32.38 1pla s LYS 26 CO 0.13 0.54 0.07 0.42 0.10 0.00 0.00 175.35 176.62 1pla s ILE 27 N -0.49 3.84 -0.28 3.79 1.01 0.84 -3.64 121.20 126.27 1pla s ILE 27 Ca 0.20 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1pla s ILE 27 Cb -0.14 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 1pla s ILE 27 CO 0.08 0.03 0.08 0.42 0.00 0.00 0.00 174.94 175.56 1pla s THR 28 N 1.46 4.13 -0.27 2.92 -4.23 -0.68 -1.12 115.64 117.85 1pla s THR 28 Ca 0.01 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.77 1pla s THR 28 Cb -0.18 -3.06 -0.00 0.00 1.34 0.00 0.00 72.50 70.60 1pla s THR 28 CO 0.02 0.16 0.83 -0.36 -0.54 0.00 0.00 174.62 174.73 1pla s PHE 29 N 1.55 3.26 -0.08 3.99 0.08 -0.23 -1.20 117.98 125.36 1pla s PHE 29 Ca 0.04 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.13 1pla s PHE 29 Cb -0.16 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.11 1pla s PHE 29 CO 0.03 -0.48 -0.09 0.21 -0.10 0.00 0.00 175.22 174.79 1pla s LYS 30 N 2.94 2.82 -0.45 0.44 2.20 0.12 -2.07 119.74 125.74 1pla s LYS 30 Ca 0.35 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1pla s LYS 30 Cb -0.15 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.63 1pla s LYS 30 CO 0.10 0.57 1.27 -0.80 -0.36 0.00 0.00 175.35 176.13 1pla s ASN 31 N -0.57 6.48 -0.15 1.43 -0.87 -1.26 -0.38 114.94 119.62 1pla s ASN 31 Ca 0.08 0.62 0.14 0.00 -1.57 0.00 0.00 52.86 52.14 1pla s ASN 31 Cb -0.12 -2.55 -0.24 0.00 -0.02 0.00 0.00 41.25 38.33 1pla s ASN 31 CO 0.02 -1.35 0.25 -3.20 -2.57 0.00 0.00 177.10 170.25 1pla n ASN 32 N 8.34 0.48 0.00 -1.22 5.15 -1.01 -3.64 115.26 123.35 1pla n ASN 32 Ca 0.14 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1pla n ASN 32 Cb 0.49 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.24 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 -2.73 0.00 0.00 5.20 0.00 -0.91 -5.00 120.51 117.08 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 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 1.01 3.19 0.00 0.00 -1.26 -4.13 105.19 104.00 1pla n GLY 34 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.31 -2.63 1.61 -1.74 -1.26 -4.61 117.46 105.52 1pla n PHE 35 Ca 0.00 0.11 -0.39 0.00 -0.56 0.00 0.00 57.45 56.61 1pla n PHE 35 Cb 0.00 -1.59 -0.05 0.00 1.52 0.00 0.00 39.48 39.36 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 -2.78 4.64 0.41 3.97 0.04 -1.26 -5.07 135.00 134.96 1pla s PRO 36 Ca 0.48 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1pla s PRO 36 Cb -0.18 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1pla s PRO 36 CO 0.75 0.28 0.34 0.72 0.04 0.00 0.00 177.00 179.13 1pla n HIS 37 N 1.01 -1.03 -3.62 0.56 8.25 -0.91 -4.93 115.22 114.56 1pla n HIS 37 Ca -0.00 -1.72 -0.14 0.00 -0.26 0.00 0.00 57.72 55.61 1pla n HIS 37 Cb 0.47 -0.34 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 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 -3.44 -0.69 -0.09 0.41 3.04 -1.26 -3.19 114.94 109.71 1pla s ASN 38 Ca 0.26 1.26 0.01 0.00 0.04 0.00 0.00 52.86 54.43 1pla s ASN 38 Cb -0.02 1.25 0.02 0.00 -1.54 0.00 0.00 41.25 40.96 1pla s ASN 38 CO 0.17 -0.29 -0.09 -0.63 -3.04 0.00 0.00 177.10 173.22 1pla s ILE 39 N 0.12 1.03 -0.01 -5.21 1.09 -1.25 -3.89 121.20 113.07 1pla s ILE 39 Ca -0.01 -0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.14 1pla s ILE 39 Cb -0.04 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.36 1pla s ILE 39 CO 0.01 0.35 0.10 -0.69 -0.10 0.00 0.00 174.94 174.62 1pla s VAL 40 N 1.24 0.06 -0.13 2.92 1.01 -0.98 -0.23 120.40 124.30 1pla s VAL 40 Ca -0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1pla s VAL 40 Cb -0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1pla s VAL 40 CO -0.03 -0.29 0.25 -0.36 0.00 0.00 0.00 175.10 174.67 1pla s PHE 41 N -0.97 3.54 -0.83 5.22 0.40 -1.26 -2.31 117.98 121.77 1pla s PHE 41 Ca -0.11 0.61 -0.25 0.00 -0.60 0.00 0.00 56.93 56.59 1pla s PHE 41 Cb -0.06 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.26 1pla s PHE 41 CO 0.01 0.46 1.74 0.16 0.70 0.00 0.00 175.22 178.28 1pla s ASP 42 N -0.23 5.57 -0.50 1.36 -4.77 -0.99 -4.84 116.67 112.27 1pla s ASP 42 Ca 0.16 -0.54 -0.14 0.00 -3.30 0.00 0.00 52.55 48.72 1pla s ASP 42 Cb -0.13 -2.55 -0.13 0.00 -1.09 0.00 0.00 42.92 39.01 1pla s ASP 42 CO 0.05 -2.29 1.53 -1.84 0.70 0.00 0.00 175.17 173.31 1pla n GLU 43 N 9.01 0.04 0.07 2.11 0.28 -1.26 -2.98 120.64 127.92 1pla n GLU 43 Ca 0.29 -0.85 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 1pla n GLU 43 Cb 0.49 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.90 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pla n ASP 44 N 11.94 -1.14 -1.51 -1.84 8.00 -1.26 -4.93 116.55 125.81 1pla n ASP 44 Ca 0.22 0.26 0.07 0.00 0.71 0.00 0.00 54.79 56.05 1pla n ASP 44 Cb 0.47 1.36 0.32 0.00 -0.02 0.00 0.00 41.12 43.25 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 -2.80 3.73 -3.12 -1.24 -0.58 -1.16 -4.91 120.64 110.57 1pla n GLU 45 Ca 0.00 -2.48 -0.36 0.00 -0.42 0.00 0.00 57.16 53.90 1pla n GLU 45 Cb 0.00 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 28.85 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pla s VAL 46 N -2.12 4.58 0.65 2.62 1.01 -1.26 -4.62 120.40 121.27 1pla s VAL 46 Ca 0.44 1.28 -0.17 0.00 0.00 0.00 0.00 61.98 63.53 1pla s VAL 46 Cb 0.31 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1pla s VAL 46 CO 0.17 0.25 0.41 -2.65 0.00 0.00 0.00 175.10 173.28 1pla n PRO 47 N 0.85 0.34 -0.16 2.72 -0.01 -1.26 -4.78 135.00 132.70 1pla n PRO 47 Ca -0.03 0.14 -0.02 0.00 -0.01 0.00 0.00 63.50 63.58 1pla n PRO 47 Cb 0.51 -1.66 0.01 0.00 -0.01 0.00 0.00 33.50 32.35 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 -2.04 2.93 0.00 3.55 0.00 -1.26 -3.23 120.51 120.46 1pla n ALA 48 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pla n ALA 48 Cb 0.49 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.47 0.00 3.36 0.00 0.00 -1.26 -4.98 105.19 102.78 1pla n GLY 49 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.19 5.20 0.38 1.61 1.01 -1.20 -5.03 120.40 121.18 1pla s VAL 50 Ca 0.00 -1.85 -0.24 0.00 0.00 0.00 0.00 61.98 59.89 1pla s VAL 50 Cb 0.00 -4.53 -0.14 0.00 0.00 0.00 0.00 36.38 31.71 1pla s VAL 50 CO 0.00 -1.14 0.54 0.59 0.00 0.00 0.00 175.10 175.09 1pla n ASN 51 N 5.20 -0.91 -0.00 3.32 3.02 -1.26 -4.62 115.26 120.01 1pla n ASN 51 Ca 0.08 0.95 -0.08 0.00 -0.03 0.00 0.00 54.58 55.51 1pla n ASN 51 Cb 0.46 -1.09 -0.13 0.00 -0.61 0.00 0.00 39.78 38.41 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla h ALA 52 N 0.90 0.68 0.00 5.41 0.00 -1.93 -3.29 119.26 121.03 1pla h ALA 52 Ca -0.38 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.20 1pla h ALA 52 Cb 1.40 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1pla h ALA 52 CO 0.53 1.49 0.00 -0.85 0.00 0.00 0.00 179.25 180.42 1pla n GLU 53 N -3.11 0.67 -0.09 0.00 0.28 -1.26 -1.48 120.64 115.66 1pla n GLU 53 Ca -0.13 0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.74 1pla n GLU 53 Cb 1.02 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.25 1pla n GLU 53 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1pla n LYS 54 N -1.05 0.68 0.02 3.44 3.00 -1.24 -4.41 118.16 118.59 1pla n LYS 54 Ca 0.17 0.12 0.11 0.00 -0.00 0.00 0.00 58.31 58.71 1pla n LYS 54 Cb 0.10 -1.58 -0.06 0.00 0.00 0.00 0.00 35.03 33.50 1pla n LYS 54 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1pla n ILE 55 N -3.07 0.15 -1.05 3.15 -5.35 -1.15 -4.95 119.36 107.08 1pla n ILE 55 Ca -0.36 -0.32 -0.28 0.00 -0.27 0.00 0.00 62.75 61.52 1pla n ILE 55 Cb 1.07 0.20 0.20 0.00 -1.74 0.00 0.00 39.64 39.36 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 -4.13 2.18 -0.44 7.28 0.01 -0.55 -4.95 113.70 113.10 1pla s SER 56 Ca 0.00 1.20 0.07 0.00 1.31 0.00 0.00 55.95 58.53 1pla s SER 56 Cb 0.14 -1.89 0.22 0.00 0.21 0.00 0.00 66.02 64.70 1pla s SER 56 CO 0.84 -3.41 0.49 0.00 0.41 0.00 0.00 173.24 171.57 1pla n GLN 57 N -4.36 0.79 0.18 12.44 6.02 0.69 -4.94 117.38 128.19 1pla n GLN 57 Ca 0.05 -3.41 0.16 0.00 -0.01 0.00 0.00 57.00 53.78 1pla n GLN 57 Cb 0.57 -1.50 0.76 0.00 1.02 0.00 0.00 30.24 31.09 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 4.55 0.00 -6.23 -1.09 0.11 -1.96 -3.34 132.00 124.04 1pla h PRO 58 Ca 0.14 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.69 1pla h PRO 58 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pla h PRO 58 CO 0.48 0.00 1.25 -1.21 -0.21 0.00 0.00 178.00 178.31 1pla s GLU 59 N -4.83 3.65 1.29 1.05 2.02 -1.26 -4.96 118.70 115.65 1pla s GLU 59 Ca -0.05 1.88 -0.17 0.00 0.02 0.00 0.00 54.97 56.66 1pla s GLU 59 Cb 0.17 -4.15 0.33 0.00 0.10 0.00 0.00 34.13 30.57 1pla s GLU 59 CO 0.62 -1.49 0.98 0.71 0.02 0.00 0.00 175.26 176.10 1pla s TYR 60 N 5.98 0.52 -0.07 1.61 1.51 -1.26 -4.88 117.35 120.76 1pla s TYR 60 Ca 0.82 0.93 -0.13 0.00 -1.01 0.00 0.00 57.07 57.69 1pla s TYR 60 Cb -0.30 -2.99 0.03 0.00 -0.11 0.00 0.00 41.96 38.59 1pla s TYR 60 CO 0.33 -4.43 0.31 -0.48 -1.11 0.00 0.00 175.55 170.18 1pla s LEU 61 N -7.55 0.82 0.00 -1.29 0.05 -1.19 -5.03 118.68 104.49 1pla s LEU 61 Ca 0.69 0.38 0.00 0.00 0.05 0.00 0.00 54.13 55.25 1pla s LEU 61 Cb -0.21 1.17 0.00 0.00 -2.05 0.00 0.00 46.19 45.10 1pla s LEU 61 CO 0.63 -0.27 0.00 -0.46 -0.55 0.00 0.00 176.35 175.70 1pla n ASN 62 N 2.15 0.00 -0.96 1.48 0.23 -1.26 -2.14 115.26 114.77 1pla n ASN 62 Ca -0.17 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.75 1pla n ASN 62 Cb 0.57 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.25 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 2.70 -0.03 3.71 4.83 0.00 -1.26 -4.78 105.19 110.36 1pla n GLY 63 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 0.18 1.90 0.00 4.61 0.00 -1.26 -2.07 121.76 125.12 1pla s ALA 64 Ca 0.20 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1pla s ALA 64 Cb -0.28 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1pla s ALA 64 CO 0.13 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.11 1pla n GLY 65 N 0.18 1.69 3.56 0.00 0.00 -1.24 -4.89 105.19 104.50 1pla n GLY 65 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.32 0.29 1.61 2.12 -0.88 -4.63 118.70 119.54 1pla s GLU 66 Ca 0.00 1.44 0.07 0.00 0.36 0.00 0.00 54.97 56.84 1pla s GLU 66 Cb 0.00 -4.53 -0.03 0.00 0.26 0.00 0.00 34.13 29.83 1pla s GLU 66 CO 0.00 -3.03 0.21 0.95 -0.54 0.00 0.00 175.26 172.85 1pla s THR 67 N 11.25 3.93 0.01 -1.70 -4.23 -1.26 -4.07 115.64 119.57 1pla s THR 67 Ca 0.95 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1pla s THR 67 Cb -0.19 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 1pla s THR 67 CO 0.27 -0.28 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.54 1pla s TYR 68 N -2.23 0.52 0.16 3.99 6.14 -0.88 -4.96 117.35 120.09 1pla s TYR 68 Ca 0.36 -0.23 0.05 0.00 0.64 0.00 0.00 57.07 57.88 1pla s TYR 68 Cb -0.07 -0.32 -0.04 0.00 0.42 0.00 0.00 41.96 41.95 1pla s TYR 68 CO 0.25 -0.04 0.15 -1.21 0.64 0.00 0.00 175.55 175.35 1pla s GLU 69 N -0.64 2.98 -0.17 4.97 8.01 -1.26 -1.06 118.70 131.52 1pla s GLU 69 Ca -0.02 -0.82 -0.10 0.00 0.01 0.00 0.00 54.97 54.04 1pla s GLU 69 Cb -0.05 -2.70 0.06 0.00 -4.31 0.00 0.00 34.13 27.13 1pla s GLU 69 CO -0.00 0.50 0.41 0.08 0.01 0.00 0.00 175.26 176.26 1pla s VAL 70 N -1.73 -0.02 -0.22 2.63 1.01 -0.28 -4.96 120.40 116.83 1pla s VAL 70 Ca 0.31 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1pla s VAL 70 Cb -0.10 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.72 1pla s VAL 70 CO 0.24 0.04 -0.08 -0.89 0.00 0.00 0.00 175.10 174.41 1pla s THR 71 N 1.32 1.63 0.21 3.92 2.01 -1.26 -0.11 115.64 123.35 1pla s THR 71 Ca -0.09 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 60.77 1pla s THR 71 Cb -0.08 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1pla s THR 71 CO -0.12 0.02 0.36 -0.76 -0.69 0.00 0.00 174.62 173.44 1pla s LEU 72 N 1.37 4.27 -0.35 4.42 1.43 -1.26 -5.04 118.68 123.52 1pla s LEU 72 Ca -0.04 0.23 0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1pla s LEU 72 Cb -0.18 -3.00 0.43 0.00 0.03 0.00 0.00 46.19 43.47 1pla s LEU 72 CO -0.07 -0.04 1.21 0.35 0.23 0.00 0.00 176.35 178.03 1pla n THR 73 N -0.96 0.47 -3.49 5.49 -2.24 -1.26 -3.70 114.28 108.59 1pla n THR 73 Ca -0.07 -2.14 -0.20 0.00 -2.27 0.00 0.00 64.05 59.38 1pla n THR 73 Cb 0.55 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.38 0.21 -0.43 -0.78 2.56 -1.26 -5.00 118.70 112.63 1pla s GLU 74 Ca 0.23 -0.00 -0.40 0.00 0.00 0.00 0.00 54.97 54.79 1pla s GLU 74 Cb 0.42 -1.13 -0.16 0.00 2.00 0.00 0.00 34.13 35.27 1pla s GLU 74 CO -0.04 -0.80 2.12 1.63 -0.56 0.00 0.00 175.26 177.61 1pla n LYS 75 N 5.30 0.51 0.00 4.30 4.01 -1.26 -4.55 118.16 126.47 1pla n LYS 75 Ca -0.05 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1pla n LYS 75 Cb 0.48 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pla n GLY 76 N 6.83 -0.73 2.83 0.72 0.00 -0.83 -4.94 105.19 109.06 1pla n GLY 76 Ca 0.47 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.00 -0.02 0.22 2.61 2.01 -1.26 -1.59 115.64 113.60 1pla s THR 77 Ca 0.00 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1pla s THR 77 Cb 0.00 -0.05 -0.05 0.00 0.01 0.00 0.00 72.50 72.41 1pla s THR 77 CO 0.00 0.04 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.50 1pla s TYR 78 N 0.50 1.90 -0.05 4.92 1.51 -0.66 -4.39 117.35 121.09 1pla s TYR 78 Ca -0.04 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1pla s TYR 78 Cb -0.06 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1pla s TYR 78 CO -0.01 0.46 -0.00 0.15 -1.11 0.00 0.00 175.55 175.03 1pla s LYS 79 N -3.44 0.48 0.20 -0.62 1.02 -1.26 -2.17 119.74 113.95 1pla s LYS 79 Ca 0.23 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.35 1pla s LYS 79 Cb -0.03 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.51 1pla s LYS 79 CO 0.09 -0.20 -0.08 -0.59 -0.92 0.00 0.00 175.35 173.66 1pla s PHE 80 N 1.43 1.55 0.22 3.18 -0.71 -0.09 -2.35 117.98 121.21 1pla s PHE 80 Ca -0.04 -0.76 -0.20 0.00 -1.04 0.00 0.00 56.93 54.90 1pla s PHE 80 Cb -0.13 -0.82 0.07 0.00 -1.21 0.00 0.00 43.02 40.93 1pla s PHE 80 CO -0.03 0.14 0.95 2.48 -1.34 0.00 0.00 175.22 177.42 1pla n TYR 81 N -0.36 -1.52 -3.71 3.49 4.11 -0.98 0.28 117.16 118.47 1pla n TYR 81 Ca -0.07 -1.33 -0.38 0.00 -0.00 0.00 0.00 57.90 56.11 1pla n TYR 81 Cb 0.62 0.65 -0.12 0.00 -0.00 0.00 0.00 39.34 40.49 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 8.28 0.90 -0.13 0.00 4.81 -1.89 0.91 114.58 127.46 1pla h GLU 83 Ca -0.28 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1pla h GLU 83 Cb 1.11 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1pla h GLU 83 CO 0.62 0.60 -0.00 -1.00 -0.73 0.00 0.00 179.01 178.49 1pla h PRO 84 N 0.93 0.23 -0.48 0.92 0.14 -1.94 -3.04 132.00 128.77 1pla h PRO 84 Ca 0.27 -0.07 0.00 0.00 0.14 0.00 0.00 66.00 66.34 1pla h PRO 84 Cb -0.05 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 31.07 1pla h PRO 84 CO -0.08 0.47 0.00 0.72 0.14 0.00 0.00 178.00 179.25 1pla n HIS 85 N -4.78 0.65 0.20 1.56 8.25 -1.15 -4.19 115.22 115.76 1pla n HIS 85 Ca -0.06 -0.32 0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1pla n HIS 85 Cb 0.21 -0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.00 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla h ALA 86 N 3.87 1.03 0.00 -1.41 0.00 0.99 0.17 119.26 123.91 1pla h ALA 86 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pla h ALA 86 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pla h ALA 86 CO 0.00 -0.03 -0.04 0.78 0.00 0.00 0.00 179.25 179.96 1pla h GLY 87 N 0.00 0.00 0.84 0.00 0.00 -1.80 -3.02 103.07 99.08 1pla h GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pla h GLY 87 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.04 1pla n ALA 88 N -2.11 3.56 0.00 3.60 0.00 0.59 -4.91 120.51 121.24 1pla n ALA 88 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1pla n ALA 88 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.48 1.12 3.58 0.00 0.00 -1.14 -5.00 105.19 105.22 1pla n GLY 89 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.71 2.92 0.22 1.61 0.00 -1.18 -4.91 119.30 117.25 1pla s MET 90 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 55.69 56.84 1pla s MET 90 Cb 0.00 -4.32 -0.05 0.00 0.00 0.00 0.00 34.83 30.46 1pla s MET 90 CO 0.00 -2.36 0.07 -1.59 0.00 0.00 0.00 175.02 171.15 1pla s LYS 91 N 6.50 1.28 0.02 4.11 -2.85 -1.26 -2.68 119.74 124.86 1pla s LYS 91 Ca 0.78 -1.67 -0.13 0.00 -1.00 0.00 0.00 55.97 53.95 1pla s LYS 91 Cb -0.18 -0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.43 1pla s LYS 91 CO 0.28 -0.26 0.28 0.20 0.10 0.00 0.00 175.35 175.95 1pla s GLY 92 N -3.24 -0.10 -0.11 0.59 0.00 0.79 -4.17 107.32 101.08 1pla s GLY 92 Ca 0.34 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.89 1pla s GLY 92 CO 0.10 -0.14 0.55 -0.54 0.00 0.00 0.00 173.10 173.07 1pla s GLU 93 N -2.09 0.81 -0.04 2.90 2.02 -0.92 -0.92 118.70 120.47 1pla s GLU 93 Ca -0.08 0.37 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 1pla s GLU 93 Cb -0.03 0.38 0.03 0.00 0.10 0.00 0.00 34.13 34.62 1pla s GLU 93 CO -0.01 -0.19 0.08 0.54 0.02 0.00 0.00 175.26 175.70 1pla s VAL 94 N -0.61 -0.05 -0.39 2.63 0.11 -0.92 -2.52 120.40 118.65 1pla s VAL 94 Ca -0.07 0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1pla s VAL 94 Cb -0.03 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.75 1pla s VAL 94 CO 0.05 0.07 0.19 -0.89 -3.33 0.00 0.00 175.10 171.20 1pla s THR 95 N 0.98 3.81 0.49 5.04 2.01 0.29 -1.65 115.64 126.62 1pla s THR 95 Ca -0.08 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 1pla s THR 95 Cb -0.11 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1pla s THR 95 CO -0.04 -0.45 0.98 -0.69 -0.69 0.00 0.00 174.62 173.73 1pla s VAL 96 N 1.34 4.44 0.00 3.82 1.01 -0.62 -1.20 120.40 129.20 1pla s VAL 96 Ca 0.02 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1pla s VAL 96 Cb -0.22 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1pla s VAL 96 CO 0.00 -0.55 0.00 0.59 0.00 0.00 0.00 175.10 175.14