#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wie n SER 2 N 0.00 -2.25 -4.80 1.61 2.88 -1.26 -4.99 113.62 104.82 1wie n SER 2 Ca 0.00 0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 1wie n SER 2 Cb 0.00 -1.05 0.09 0.00 -0.75 0.00 0.00 64.21 62.49 1wie n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wie s SER 3 N -1.92 4.55 0.00 -3.46 0.01 -1.26 -5.09 113.70 106.53 1wie s SER 3 Ca 0.57 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1wie s SER 3 Cb -0.15 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1wie s SER 3 CO 0.67 -1.77 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1wie n GLY 4 N -3.01 -0.18 3.65 3.44 0.00 -1.26 -5.10 105.19 102.73 1wie n GLY 4 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1wie n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wie s SER 5 N -1.49 -0.00 -0.20 1.61 0.15 -1.26 -5.12 113.70 107.38 1wie s SER 5 Ca 0.00 0.00 -0.36 0.00 0.70 0.00 0.00 55.95 56.29 1wie s SER 5 Cb 0.00 0.00 0.14 0.00 -1.71 0.00 0.00 66.02 64.46 1wie s SER 5 CO 0.00 -0.00 1.29 -0.94 1.20 0.00 0.00 173.24 174.79 1wie s SER 6 N -1.48 -0.08 0.00 5.45 1.04 -1.26 -5.18 113.70 112.20 1wie s SER 6 Ca 0.11 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1wie s SER 6 Cb -0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1wie s SER 6 CO -0.06 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1wie n GLY 7 N -0.13 4.24 0.00 7.32 0.00 -1.26 -5.01 105.19 110.35 1wie n GLY 7 Ca 0.01 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 44.90 1wie n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wie n THR 8 N -0.75 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 115.54 1wie n THR 8 Ca 0.00 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1wie n THR 8 Cb 0.00 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1wie n THR 8 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wie n SER 9 N -1.52 0.00 -0.04 1.09 7.64 -1.26 -5.09 113.62 114.44 1wie n SER 9 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1wie n SER 9 Cb 0.20 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1wie n SER 9 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wie n LYS 10 N 0.00 0.31 -4.25 1.43 5.02 -1.26 -5.05 118.16 114.36 1wie n LYS 10 Ca 0.00 0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1wie n LYS 10 Cb 0.00 -1.03 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 1wie n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wie s GLN 11 N -2.43 0.68 -0.18 1.97 -1.52 -1.26 -5.02 119.66 111.90 1wie s GLN 11 Ca -0.17 -0.52 0.05 0.00 -1.95 0.00 0.00 55.36 52.78 1wie s GLN 11 Cb 0.02 -0.62 0.41 0.00 -0.22 0.00 0.00 33.01 32.60 1wie s GLN 11 CO 0.25 0.15 1.31 0.54 -0.25 0.00 0.00 175.29 177.30 1wie n ARG 12 N 2.29 2.48 -1.07 2.91 5.12 -1.26 -3.71 116.66 123.42 1wie n ARG 12 Ca -0.17 -1.66 -0.07 0.00 -1.93 0.00 0.00 57.85 54.03 1wie n ARG 12 Cb 0.56 -1.79 -0.06 0.00 -1.16 0.00 0.00 32.46 30.01 1wie n ARG 12 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1wie n TYR 13 N 0.02 -0.09 -2.05 -1.55 4.19 -1.26 -4.92 117.16 111.50 1wie n TYR 13 Ca 0.22 -0.55 -0.02 0.00 3.31 0.00 0.00 57.90 60.86 1wie n TYR 13 Cb 0.92 0.55 -0.03 0.00 0.49 0.00 0.00 39.34 41.27 1wie n TYR 13 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1wie n SER 14 N -0.07 -0.30 -2.41 2.98 7.64 -1.24 -5.11 113.62 115.11 1wie n SER 14 Ca -0.27 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1wie n SER 14 Cb 0.70 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1wie n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wie n GLY 15 N 0.05 -1.35 3.60 0.23 0.00 -1.26 -4.89 105.19 101.58 1wie n GLY 15 Ca -0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1wie n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wie s LYS 16 N -2.13 0.22 0.27 1.61 1.02 -1.26 -4.73 119.74 114.74 1wie s LYS 16 Ca 0.00 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.26 1wie s LYS 16 Cb 0.00 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1wie s LYS 16 CO 0.00 -3.06 0.25 0.08 -0.92 0.00 0.00 175.35 171.70 1wie s VAL 17 N -2.59 4.37 -0.29 3.17 1.01 -1.26 -2.77 120.40 122.03 1wie s VAL 17 Ca 0.67 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1wie s VAL 17 Cb -0.23 -3.42 0.15 0.00 0.00 0.00 0.00 36.38 32.88 1wie s VAL 17 CO 0.61 -0.31 0.38 -1.00 0.00 0.00 0.00 175.10 174.78 1wie s HIS 18 N -2.15 -0.85 -0.14 5.22 0.09 -0.59 -4.89 115.29 111.99 1wie s HIS 18 Ca 0.35 0.18 -0.29 0.00 -0.00 0.00 0.00 55.06 55.30 1wie s HIS 18 Cb -0.08 -0.25 -0.03 0.00 -0.00 0.00 0.00 32.58 32.23 1wie s HIS 18 CO 0.26 -0.96 1.44 -1.17 -0.00 0.00 0.00 174.74 174.30 1wie s LEU 19 N 2.49 4.19 0.19 0.89 2.96 -1.26 -0.83 118.68 127.31 1wie s LEU 19 Ca 0.10 1.85 0.09 0.00 -0.22 0.00 0.00 54.13 55.94 1wie s LEU 19 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1wie s LEU 19 CO -0.31 -0.88 -0.18 0.00 -1.32 0.00 0.00 176.35 173.65 1wie s VAL 21 N -2.23 1.60 0.12 0.00 0.11 0.11 -0.09 120.40 120.02 1wie s VAL 21 Ca 0.19 -0.73 -0.35 0.00 -2.93 0.00 0.00 61.98 58.15 1wie s VAL 21 Cb -0.05 -1.54 -0.16 0.00 -1.53 0.00 0.00 36.38 33.09 1wie s VAL 21 CO 0.08 0.38 1.28 0.00 -3.33 0.00 0.00 175.10 173.52 1wie n ALA 22 N 4.75 -0.89 0.02 1.54 0.00 -0.42 0.28 120.51 125.78 1wie n ALA 22 Ca -0.16 0.50 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1wie n ALA 22 Cb 0.49 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 1wie n ALA 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wie h ARG 23 N 4.17 0.00 -2.71 0.00 2.43 0.18 0.23 114.38 118.68 1wie h ARG 23 Ca -0.46 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 1wie h ARG 23 Cb 1.34 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.62 1wie h ARG 23 CO 0.75 0.51 -0.32 0.71 -1.51 0.00 0.00 179.97 180.12 1wie s TYR 24 N -2.73 -0.55 -0.23 2.20 2.02 -1.24 -4.70 117.35 112.12 1wie s TYR 24 Ca -0.03 1.20 -0.38 0.00 -0.37 0.00 0.00 57.07 57.49 1wie s TYR 24 Cb 0.08 0.22 -0.14 0.00 -0.40 0.00 0.00 41.96 41.73 1wie s TYR 24 CO 0.81 -0.31 1.84 0.43 -1.57 0.00 0.00 175.55 176.76 1wie n SER 25 N 4.09 2.72 -4.13 2.29 7.64 -1.26 -4.22 113.62 120.75 1wie n SER 25 Ca -0.22 0.97 -0.22 0.00 1.01 0.00 0.00 58.87 60.41 1wie n SER 25 Cb 0.55 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 1wie n SER 25 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1wie s TYR 26 N 4.17 1.29 -0.10 1.43 6.14 0.14 -4.89 117.35 125.52 1wie s TYR 26 Ca 0.98 -0.28 -0.02 0.00 0.64 0.00 0.00 57.07 58.39 1wie s TYR 26 Cb -0.92 -0.80 0.04 0.00 0.42 0.00 0.00 41.96 40.69 1wie s TYR 26 CO 0.59 0.00 0.02 -0.80 0.64 0.00 0.00 175.55 176.01 1wie s ASN 27 N -0.63 1.87 0.23 4.32 -0.87 -1.26 0.13 114.94 118.74 1wie s ASN 27 Ca 0.04 -0.26 0.10 0.00 -1.57 0.00 0.00 52.86 51.17 1wie s ASN 27 Cb -0.06 -0.42 0.19 0.00 -0.02 0.00 0.00 41.25 40.93 1wie s ASN 27 CO 0.00 -0.24 1.51 1.55 -2.57 0.00 0.00 177.10 177.35 1wie h PRO 28 N 8.33 0.00 -0.99 -0.60 0.13 -1.84 -3.09 132.00 133.93 1wie h PRO 28 Ca -0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.81 1wie h PRO 28 Cb 1.13 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1wie h PRO 28 CO 0.27 0.72 0.18 1.19 -0.23 0.00 0.00 178.00 180.13 1wie n PHE 29 N -3.62 0.87 -0.03 1.56 3.72 -1.26 -3.31 117.46 115.39 1wie n PHE 29 Ca -0.01 -0.86 -0.02 0.00 -0.05 0.00 0.00 57.45 56.52 1wie n PHE 29 Cb 0.72 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1wie n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wie n ASP 30 N 0.03 2.99 -4.93 4.37 -0.08 -1.17 -5.04 116.55 112.72 1wie n ASP 30 Ca 0.17 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.24 1wie n ASP 30 Cb 0.82 0.86 0.07 0.00 2.34 0.00 0.00 41.12 45.21 1wie n ASP 30 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1wie s GLY 31 N -3.77 1.77 0.00 0.27 0.00 -1.21 -4.97 107.32 99.41 1wie s GLY 31 Ca -0.04 -1.93 0.22 0.00 0.00 0.00 0.00 44.72 42.98 1wie s GLY 31 CO 0.34 -1.48 1.71 -1.55 0.00 0.00 0.00 173.10 172.12 1wie n PRO 32 N -2.36 0.75 -0.97 2.90 -0.04 -1.26 -4.89 135.00 129.13 1wie n PRO 32 Ca 0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1wie n PRO 32 Cb 0.61 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1wie n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wie n ASN 33 N -0.96 -3.31 -0.15 3.54 3.02 -1.26 -4.87 115.26 111.26 1wie n ASN 33 Ca 0.17 0.46 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 1wie n ASN 33 Cb 0.08 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1wie n ASN 33 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1wie n GLU 34 N 1.36 1.79 -3.15 3.52 0.28 -1.26 -4.56 120.64 118.62 1wie n GLU 34 Ca 0.05 -0.34 -0.20 0.00 -0.16 0.00 0.00 57.16 56.51 1wie n GLU 34 Cb 0.39 -1.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.98 1wie n GLU 34 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1wie n ASN 35 N -0.85 1.39 0.08 -1.84 4.05 -1.26 -4.90 115.26 111.93 1wie n ASN 35 Ca 0.05 -3.11 -0.09 0.00 0.45 0.00 0.00 54.58 51.87 1wie n ASN 35 Cb 0.28 -0.61 0.01 0.00 1.23 0.00 0.00 39.78 40.69 1wie n ASN 35 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1wie h PRO 36 N 3.02 0.27 -0.10 1.20 0.13 -1.82 -3.09 132.00 131.62 1wie h PRO 36 Ca 0.10 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1wie h PRO 36 Cb 0.90 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1wie h PRO 36 CO 0.55 0.95 -0.02 1.05 -0.23 0.00 0.00 178.00 180.30 1wie h GLU 37 N 0.17 0.13 -0.34 0.86 4.11 -1.91 -2.16 114.58 115.45 1wie h GLU 37 Ca -0.04 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.41 1wie h GLU 37 Cb 1.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1wie h GLU 37 CO 0.13 0.17 0.10 0.00 0.07 0.00 0.00 179.01 179.48 1wie h ALA 38 N 1.85 0.37 -3.33 1.06 0.00 -1.89 -3.43 119.26 113.89 1wie h ALA 38 Ca 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1wie h ALA 38 Cb 0.14 0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.03 1wie h ALA 38 CO 0.00 -0.30 0.15 0.39 0.00 0.00 0.00 179.25 179.49 1wie n GLU 39 N -5.05 -0.44 -4.18 0.00 1.02 -0.81 0.23 120.64 111.41 1wie n GLU 39 Ca 0.01 -0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 56.26 1wie n GLU 39 Cb 0.13 -0.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.94 1wie n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wie s LEU 40 N 0.00 2.09 -0.86 -4.62 1.43 -0.28 -4.26 118.68 112.18 1wie s LEU 40 Ca 0.27 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.86 1wie s LEU 40 Cb -0.01 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.92 1wie s LEU 40 CO 0.19 -0.01 1.65 -2.16 0.23 0.00 0.00 176.35 176.25 1wie s PRO 41 N -0.63 3.02 0.65 1.29 0.04 -1.26 -4.62 135.00 133.49 1wie s PRO 41 Ca -0.01 -0.39 -0.17 0.00 0.04 0.00 0.00 61.00 60.47 1wie s PRO 41 Cb -0.05 -4.88 -0.01 0.00 0.04 0.00 0.00 34.50 29.61 1wie s PRO 41 CO 0.00 -2.66 1.16 -0.51 0.04 0.00 0.00 177.00 175.04 1wie s LEU 42 N 7.45 3.48 -0.25 -3.56 1.43 0.12 -4.80 118.68 122.55 1wie s LEU 42 Ca 0.55 2.22 -0.04 0.00 -1.03 0.00 0.00 54.13 55.83 1wie s LEU 42 Cb -0.06 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.67 1wie s LEU 42 CO 0.03 -1.75 0.13 -0.89 0.23 0.00 0.00 176.35 174.10 1wie s THR 43 N -1.98 -0.10 -0.36 5.49 2.01 -1.26 0.25 115.64 119.70 1wie s THR 43 Ca 0.72 -0.56 -0.32 0.00 0.31 0.00 0.00 61.69 61.84 1wie s THR 43 Cb -0.26 -0.86 -0.14 0.00 0.01 0.00 0.00 72.50 71.25 1wie s THR 43 CO 0.38 -0.58 1.34 0.00 -0.69 0.00 0.00 174.62 175.08 1wie n ALA 44 N 5.26 -0.38 0.00 7.40 0.00 -1.26 0.20 120.51 131.74 1wie n ALA 44 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1wie n ALA 44 Cb 0.44 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1wie n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wie n GLY 45 N 4.17 3.11 3.40 0.00 0.00 0.07 -4.87 105.19 111.07 1wie n GLY 45 Ca 0.31 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 1wie n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wie n LYS 46 N 0.00 -0.26 -4.51 1.61 5.02 0.54 -4.61 118.16 115.95 1wie n LYS 46 Ca 0.00 -0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1wie n LYS 46 Cb 0.00 -1.83 -0.14 0.00 -0.02 0.00 0.00 35.03 33.05 1wie n LYS 46 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wie s TYR 47 N -2.37 1.82 0.07 2.13 1.51 -1.26 -1.30 117.35 117.95 1wie s TYR 47 Ca 0.56 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1wie s TYR 47 Cb -0.21 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1wie s TYR 47 CO 0.68 0.14 0.04 1.47 -1.11 0.00 0.00 175.55 176.77 1wie n LEU 48 N 1.56 0.00 -3.63 -1.29 -0.00 0.87 -4.07 117.00 110.44 1wie n LEU 48 Ca -0.18 -0.61 -0.19 0.00 -0.00 0.00 0.00 56.01 55.02 1wie n LEU 48 Cb 0.53 0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 44.06 1wie n LEU 48 CO 0.23 -0.10 -0.27 -0.31 -0.00 0.00 0.00 177.39 176.93 1wie s TYR 49 N -2.07 -0.07 -0.15 1.47 2.02 -1.24 -1.93 117.35 115.39 1wie s TYR 49 Ca 0.06 0.31 -0.20 0.00 -0.37 0.00 0.00 57.07 56.88 1wie s TYR 49 Cb 0.00 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.13 1wie s TYR 49 CO 0.04 -0.34 0.57 0.08 -1.57 0.00 0.00 175.55 174.33 1wie s VAL 50 N 2.24 5.10 -0.93 0.71 1.01 -0.01 0.21 120.40 128.73 1wie s VAL 50 Ca 0.04 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 1wie s VAL 50 Cb -0.13 -3.90 0.24 0.00 0.00 0.00 0.00 36.38 32.59 1wie s VAL 50 CO -0.06 0.22 0.88 -0.31 0.00 0.00 0.00 175.10 175.83 1wie s TYR 51 N 1.22 3.94 -1.68 5.22 2.02 -1.03 -1.54 117.35 125.51 1wie s TYR 51 Ca 0.28 -2.31 0.00 0.00 -0.37 0.00 0.00 57.07 54.67 1wie s TYR 51 Cb -0.16 -3.78 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 1wie s TYR 51 CO 0.12 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 1wie n GLY 52 N 3.43 0.49 0.00 0.71 0.00 -1.12 -4.71 105.19 104.00 1wie n GLY 52 Ca 0.18 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1wie n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wie n ASP 53 N 0.00 0.81 -4.28 1.61 2.03 -1.26 -4.92 116.55 110.54 1wie n ASP 53 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 1wie n ASP 53 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1wie n ASP 53 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1wie s MET 54 N 1.89 2.62 0.00 -0.67 -2.45 -1.26 -4.72 119.30 114.71 1wie s MET 54 Ca 0.00 -1.25 0.00 0.00 -1.25 0.00 0.00 55.69 53.19 1wie s MET 54 Cb 0.00 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.50 1wie s MET 54 CO 0.00 -0.75 0.55 -0.25 1.05 0.00 0.00 175.02 175.62 1wie n ASP 55 N 4.85 0.00 -2.19 1.11 9.92 -1.26 -4.84 116.55 124.14 1wie n ASP 55 Ca -0.11 -1.16 -0.29 0.00 -0.53 0.00 0.00 54.79 52.70 1wie n ASP 55 Cb 0.44 -0.03 0.04 0.00 -0.64 0.00 0.00 41.12 40.93 1wie n ASP 55 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1wie n GLU 56 N 0.00 3.22 -0.63 -1.24 0.28 -1.26 -4.80 120.64 116.21 1wie n GLU 56 Ca 0.00 -3.81 0.00 0.00 -0.16 0.00 0.00 57.16 53.19 1wie n GLU 56 Cb 0.53 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.12 1wie n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wie n ASP 57 N -0.78 -0.78 0.00 -1.84 -0.08 -1.26 -3.74 116.55 108.07 1wie n ASP 57 Ca 0.52 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1wie n ASP 57 Cb 0.81 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.14 1wie n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wie n GLY 58 N -2.26 1.77 3.56 0.27 0.00 -1.26 -5.13 105.19 102.14 1wie n GLY 58 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wie n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wie s PHE 59 N -2.00 2.43 -0.13 1.61 0.08 -1.25 -4.02 117.98 114.70 1wie s PHE 59 Ca 0.00 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.64 1wie s PHE 59 Cb 0.00 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1wie s PHE 59 CO 0.00 0.59 -0.20 0.71 -0.10 0.00 0.00 175.22 176.22 1wie s TYR 60 N -2.55 2.46 -0.63 0.36 2.02 0.57 -4.33 117.35 115.25 1wie s TYR 60 Ca 0.33 -1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 55.68 1wie s TYR 60 Cb -0.00 -1.70 -0.10 0.00 -0.40 0.00 0.00 41.96 39.76 1wie s TYR 60 CO 0.17 -0.58 1.81 0.39 -1.57 0.00 0.00 175.55 175.77 1wie n GLU 61 N 4.13 1.36 -2.32 -0.62 1.02 -1.26 -0.48 120.64 122.47 1wie n GLU 61 Ca -0.20 -1.34 -0.41 0.00 -0.02 0.00 0.00 57.16 55.20 1wie n GLU 61 Cb 0.51 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 1wie n GLU 61 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wie s GLY 62 N 4.43 2.81 -0.55 0.62 0.00 -0.98 -2.46 107.32 111.20 1wie s GLY 62 Ca 0.39 1.03 -0.06 0.00 0.00 0.00 0.00 44.72 46.07 1wie s GLY 62 CO 0.05 1.81 0.39 1.85 0.00 0.00 0.00 173.10 177.19 1wie s GLU 63 N -0.85 2.52 0.66 2.90 2.12 0.13 -2.98 118.70 123.19 1wie s GLU 63 Ca 0.50 -2.10 -0.18 0.00 0.36 0.00 0.00 54.97 53.56 1wie s GLU 63 Cb -0.35 -3.85 -0.15 0.00 0.26 0.00 0.00 34.13 30.05 1wie s GLU 63 CO 0.41 -1.17 -0.33 1.28 -0.54 0.00 0.00 175.26 174.91 1wie n LEU 64 N 4.29 -4.39 0.16 2.70 4.32 0.13 -3.63 117.00 120.58 1wie n LEU 64 Ca 0.01 0.51 0.11 0.00 -0.02 0.00 0.00 56.01 56.62 1wie n LEU 64 Cb 0.41 -0.82 0.58 0.00 -1.62 0.00 0.00 43.42 41.96 1wie n LEU 64 CO 0.37 -5.17 0.84 0.18 -1.22 0.00 0.00 177.39 172.39 1wie n LEU 65 N 2.81 0.60 0.03 2.23 4.77 -1.26 0.55 117.00 126.73 1wie n LEU 65 Ca 0.05 0.75 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 1wie n LEU 65 Cb 0.50 -0.78 0.32 0.00 -2.33 0.00 0.00 43.42 41.12 1wie n LEU 65 CO 0.54 -0.88 0.57 0.47 -1.33 0.00 0.00 177.39 176.76 1wie n ASP 66 N -2.27 0.49 0.00 -1.43 9.92 -1.26 -4.90 116.55 117.10 1wie n ASP 66 Ca -0.01 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1wie n ASP 66 Cb 0.08 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1wie n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wie n GLY 67 N 1.43 0.56 3.67 0.44 0.00 0.19 -5.05 105.19 106.42 1wie n GLY 67 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1wie n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wie s GLN 68 N -0.75 4.14 -0.25 1.61 0.74 -1.23 -4.69 119.66 119.23 1wie s GLN 68 Ca 0.00 2.62 -0.06 0.00 0.05 0.00 0.00 55.36 57.98 1wie s GLN 68 Cb 0.00 -4.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.03 1wie s GLN 68 CO 0.00 -0.94 0.03 1.03 -0.55 0.00 0.00 175.29 174.86 1wie s ARG 69 N 4.17 3.45 0.13 1.67 0.52 -1.26 0.22 118.95 127.85 1wie s ARG 69 Ca 0.88 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 55.38 1wie s ARG 69 Cb -0.44 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 31.86 1wie s ARG 69 CO 0.41 -0.24 0.50 0.41 0.02 0.00 0.00 175.30 176.41 1wie n GLY 70 N 4.86 1.10 3.85 -3.53 0.00 -1.16 -4.91 105.19 105.39 1wie n GLY 70 Ca -0.17 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1wie n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wie s LEU 71 N 0.00 3.03 -0.20 0.99 1.43 0.63 -2.31 118.68 122.26 1wie s LEU 71 Ca 0.11 1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 54.51 1wie s LEU 71 Cb -0.02 -4.28 0.07 0.00 0.03 0.00 0.00 46.19 42.00 1wie s LEU 71 CO 0.04 -1.31 0.48 -0.69 0.23 0.00 0.00 176.35 175.10 1wie s VAL 72 N -3.17 -0.23 0.05 -1.59 1.01 0.37 -1.13 120.40 115.70 1wie s VAL 72 Ca 0.57 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1wie s VAL 72 Cb -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1wie s VAL 72 CO 0.54 0.04 1.17 -2.16 0.00 0.00 0.00 175.10 174.69 1wie s PRO 73 N 1.84 4.44 0.00 2.72 0.04 -1.26 0.21 135.00 142.99 1wie s PRO 73 Ca -0.08 1.72 0.16 0.00 0.04 0.00 0.00 61.00 62.84 1wie s PRO 73 Cb -0.09 -3.38 0.80 0.00 0.04 0.00 0.00 34.50 31.88 1wie s PRO 73 CO -0.14 -0.24 1.44 0.45 0.04 0.00 0.00 177.00 178.54 1wie n SER 74 N 4.01 0.00 -0.52 6.66 2.88 -1.26 -1.20 113.62 124.19 1wie n SER 74 Ca 0.09 0.04 0.14 0.00 -1.33 0.00 0.00 58.87 57.80 1wie n SER 74 Cb 0.47 -0.27 0.46 0.00 -0.75 0.00 0.00 64.21 64.12 1wie n SER 74 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wie n ASN 75 N -1.27 1.64 0.00 -3.46 3.02 -1.26 -3.72 115.26 110.21 1wie n ASN 75 Ca 0.08 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1wie n ASN 75 Cb 0.12 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wie n PHE 76 N 0.25 0.00 -4.27 3.10 3.01 -0.35 -4.90 117.46 114.30 1wie n PHE 76 Ca 0.18 -0.20 -0.18 0.00 1.01 0.00 0.00 57.45 58.25 1wie n PHE 76 Cb 0.38 -0.02 -0.11 0.00 -0.01 0.00 0.00 39.48 39.72 1wie n PHE 76 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wie s VAL 77 N -0.41 1.45 -0.22 -4.37 -7.23 -1.09 0.19 120.40 108.73 1wie s VAL 77 Ca 0.00 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1wie s VAL 77 Cb 0.00 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 35.32 1wie s VAL 77 CO 0.00 -0.46 0.08 -0.62 -0.31 0.00 0.00 175.10 173.79 1wie s ASP 78 N -2.69 2.97 -0.89 4.85 2.15 0.14 -4.70 116.67 118.51 1wie s ASP 78 Ca 0.13 -0.94 -0.17 0.00 0.43 0.00 0.00 52.55 52.00 1wie s ASP 78 Cb -0.04 -0.45 -0.24 0.00 -0.30 0.00 0.00 42.92 41.89 1wie s ASP 78 CO 0.04 -0.36 2.26 0.49 -0.17 0.00 0.00 175.17 177.42 1wie n PHE 79 N 5.15 0.55 -1.41 -5.34 3.72 -1.26 0.08 117.46 118.96 1wie n PHE 79 Ca -0.07 -0.01 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 1wie n PHE 79 Cb 0.46 -1.51 0.15 0.00 -0.94 0.00 0.00 39.48 37.64 1wie n PHE 79 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1wie s VAL 80 N 7.15 1.99 -0.17 -4.37 0.11 -0.37 -4.91 120.40 119.83 1wie s VAL 80 Ca 1.11 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 60.15 1wie s VAL 80 Cb -0.49 -2.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.69 1wie s VAL 80 CO 0.33 0.00 -0.10 0.00 -3.33 0.00 0.00 175.10 172.00 1wie s GLN 81 N -5.19 3.35 0.02 1.54 -2.07 -1.26 -4.65 119.66 111.40 1wie s GLN 81 Ca 0.65 -0.67 -0.26 0.00 -1.82 0.00 0.00 55.36 53.26 1wie s GLN 81 Cb -0.16 -2.77 -0.17 0.00 -1.09 0.00 0.00 33.01 28.82 1wie s GLN 81 CO 0.55 0.02 1.35 0.22 -1.32 0.00 0.00 175.29 176.11 1wie h ASP 82 N 7.34 -0.27 -5.56 12.60 1.82 -1.96 -3.49 116.42 126.90 1wie h ASP 82 Ca -0.34 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1wie h ASP 82 Cb 1.19 0.07 -0.06 0.00 0.68 0.00 0.00 39.33 41.20 1wie h ASP 82 CO 0.58 0.04 -0.90 0.59 -1.61 0.00 0.00 179.24 177.95 1wie n ASN 83 N -5.11 -4.18 -0.00 2.28 4.13 -1.26 -5.00 115.26 106.12 1wie n ASN 83 Ca -0.09 1.14 -0.03 0.00 1.68 0.00 0.00 54.58 57.28 1wie n ASN 83 Cb 0.23 -3.59 -0.01 0.00 -1.54 0.00 0.00 39.78 34.87 1wie n ASN 83 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wie n GLU 84 N 1.93 0.08 -3.65 3.52 -0.58 -1.26 -5.11 120.64 115.58 1wie n GLU 84 Ca -0.20 0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.55 1wie n GLU 84 Cb 0.35 -0.64 -0.07 0.00 -0.57 0.00 0.00 31.44 30.51 1wie n GLU 84 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wie s SER 85 N -5.55 -0.14 0.11 1.62 0.15 -1.26 -5.06 113.70 103.58 1wie s SER 85 Ca -0.05 0.26 -0.34 0.00 0.70 0.00 0.00 55.95 56.52 1wie s SER 85 Cb 0.02 0.55 -0.13 0.00 -1.71 0.00 0.00 66.02 64.75 1wie s SER 85 CO 0.07 -0.04 1.56 0.03 1.20 0.00 0.00 173.24 176.05 1wie h ARG 86 N 4.06 -0.63 -5.64 5.44 3.08 -2.05 -3.39 114.38 115.25 1wie h ARG 86 Ca -0.27 0.04 -0.60 0.00 0.07 0.00 0.00 59.98 59.22 1wie h ARG 86 Cb 1.18 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 31.29 1wie h ARG 86 CO 0.19 -0.42 -0.30 -0.51 -1.07 0.00 0.00 179.97 177.86 1wie s LEU 87 N -10.27 4.31 0.27 3.04 1.43 -1.26 -5.05 118.68 111.15 1wie s LEU 87 Ca -0.16 0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 53.38 1wie s LEU 87 Cb 0.07 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.93 1wie s LEU 87 CO 0.61 0.17 0.91 0.00 0.23 0.00 0.00 176.35 178.28 1wie s ALA 88 N 0.00 -1.23 0.82 4.21 0.00 -1.26 -5.15 121.76 119.15 1wie s ALA 88 Ca 0.19 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1wie s ALA 88 Cb -0.14 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1wie s ALA 88 CO 0.07 -1.03 1.14 -1.12 0.00 0.00 0.00 175.76 174.82 1wie s SER 89 N -3.20 4.35 -0.17 0.00 0.01 -1.26 -5.09 113.70 108.34 1wie s SER 89 Ca 0.18 0.96 -0.24 0.00 1.31 0.00 0.00 55.95 58.15 1wie s SER 89 Cb -0.04 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.70 1wie s SER 89 CO 0.08 -2.02 0.63 0.28 0.41 0.00 0.00 173.24 172.62 1wie s THR 90 N -3.40 0.00 0.13 1.44 -1.32 -1.26 -5.18 115.64 106.06 1wie s THR 90 Ca 0.62 -0.03 0.04 0.00 -1.21 0.00 0.00 61.69 61.10 1wie s THR 90 Cb -0.13 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1wie s THR 90 CO 0.51 -0.02 -0.09 -0.94 -2.21 0.00 0.00 174.62 171.87 1wie s SER 91 N -0.22 1.59 0.00 8.08 1.04 -1.26 -5.08 113.70 117.85 1wie s SER 91 Ca -0.04 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1wie s SER 91 Cb -0.03 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wie s SER 91 CO 0.04 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1wie n GLY 92 N -0.04 0.04 0.08 7.32 0.00 -1.26 -5.10 105.19 106.23 1wie n GLY 92 Ca -0.12 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1wie n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wie h PRO 93 N 0.00 -0.15 0.00 1.61 0.13 -1.99 -3.47 132.00 128.12 1wie h PRO 93 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wie h PRO 93 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wie h PRO 93 CO 0.00 -0.10 0.00 0.45 -0.23 0.00 0.00 178.00 178.12 1wie n SER 94 N -3.37 -0.31 0.00 1.44 2.88 -1.26 -4.89 113.62 108.11 1wie n SER 94 Ca -0.02 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wie n SER 94 Cb 0.06 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1wie n SER 94 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wie n SER 95 N -2.38 0.00 0.00 -3.46 2.88 -1.26 -5.15 113.62 104.25 1wie n SER 95 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wie n SER 95 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42