#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 0.00 -3.80 1.61 7.64 -1.26 -5.17 113.62 112.64 1wie n SER 2 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1wie n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1wie n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wie s SER 3 N 0.00 -0.17 0.00 6.43 0.01 -1.26 -5.15 113.70 113.56 1wie s SER 3 Ca 0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1wie s SER 3 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1wie s SER 3 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wie n GLY 4 N 3.23 -1.27 5.00 3.44 0.00 -1.26 -5.03 105.19 109.31 1wie n GLY 4 Ca -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1wie n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wie n SER 5 N 0.31 0.00 -2.66 1.61 2.88 -1.26 -4.77 113.62 109.74 1wie n SER 5 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1wie n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1wie n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wie n SER 6 N 1.69 -1.42 0.00 -3.46 7.64 -1.26 -4.87 113.62 111.94 1wie n SER 6 Ca 0.00 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1wie n SER 6 Cb 0.00 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 1wie n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wie n GLY 7 N 1.84 1.00 3.41 0.23 0.00 -1.26 -5.08 105.19 105.33 1wie n GLY 7 Ca -0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1wie n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wie s THR 8 N -1.96 4.66 -0.47 2.61 -4.23 -1.26 -4.76 115.64 110.23 1wie s THR 8 Ca 0.00 -0.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.36 1wie s THR 8 Cb 0.00 -4.59 -0.03 0.00 1.34 0.00 0.00 72.50 69.22 1wie s THR 8 CO 0.00 -1.29 1.97 -0.94 -0.54 0.00 0.00 174.62 173.82 1wie s SER 9 N 3.60 5.33 -0.14 3.99 1.04 -1.26 -4.74 113.70 121.53 1wie s SER 9 Ca 0.18 0.90 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 1wie s SER 9 Cb -0.19 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.35 1wie s SER 9 CO 0.05 -2.22 -0.22 1.17 0.98 0.00 0.00 173.24 173.00 1wie n LYS 10 N 8.87 0.35 -4.37 4.02 4.81 -1.26 -5.08 118.16 125.49 1wie n LYS 10 Ca 0.25 0.15 -0.26 0.00 -0.87 0.00 0.00 58.31 57.58 1wie n LYS 10 Cb 0.50 -1.10 -0.07 0.00 0.02 0.00 0.00 35.03 34.39 1wie n LYS 10 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wie n GLN 11 N -3.87 0.63 -4.11 1.64 6.02 -1.26 -5.15 117.38 111.29 1wie n GLN 11 Ca -0.26 -3.39 -0.35 0.00 -0.01 0.00 0.00 57.00 53.00 1wie n GLN 11 Cb 0.60 1.67 -0.09 0.00 1.02 0.00 0.00 30.24 33.44 1wie n GLN 11 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wie s ARG 12 N -3.55 3.61 -1.24 -1.09 1.81 -1.26 -4.53 118.95 112.71 1wie s ARG 12 Ca 0.17 -0.34 -0.06 0.00 -1.72 0.00 0.00 55.73 53.78 1wie s ARG 12 Cb 0.01 -3.08 -0.01 0.00 -0.45 0.00 0.00 34.95 31.42 1wie s ARG 12 CO 0.12 0.47 0.73 0.66 -0.68 0.00 0.00 175.30 176.60 1wie n TYR 13 N 2.91 -1.96 -2.06 -0.53 4.02 -1.26 -4.88 117.16 113.40 1wie n TYR 13 Ca -0.18 0.73 -0.03 0.00 -0.01 0.00 0.00 57.90 58.41 1wie n TYR 13 Cb 0.53 -4.06 -0.04 0.00 -0.02 0.00 0.00 39.34 35.76 1wie n TYR 13 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wie n SER 14 N -2.97 -0.44 -4.02 7.72 7.64 -1.26 -5.11 113.62 115.18 1wie n SER 14 Ca -0.22 -1.74 -0.19 0.00 1.01 0.00 0.00 58.87 57.73 1wie n SER 14 Cb 0.65 0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 63.82 1wie n SER 14 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wie s GLY 15 N -0.86 0.48 0.81 0.23 0.00 -1.26 -4.93 107.32 101.77 1wie s GLY 15 Ca 0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 1wie s GLY 15 CO -0.02 -0.27 -0.55 1.17 0.00 0.00 0.00 173.10 173.42 1wie n LYS 16 N 2.96 0.00 -0.61 2.90 4.81 -1.26 0.10 118.16 127.06 1wie n LYS 16 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1wie n LYS 16 Cb 0.56 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1wie n LYS 16 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1wie n VAL 17 N -2.10 0.00 -3.15 3.15 0.24 -1.26 0.20 118.33 115.41 1wie n VAL 17 Ca 0.02 -0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1wie n VAL 17 Cb 0.52 -1.41 -0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1wie n VAL 17 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wie s HIS 18 N 0.13 -1.83 -0.14 6.34 0.09 -0.84 -4.78 115.29 114.26 1wie s HIS 18 Ca 0.01 1.06 -0.30 0.00 -0.00 0.00 0.00 55.06 55.83 1wie s HIS 18 Cb -0.00 0.31 -0.08 0.00 -0.00 0.00 0.00 32.58 32.81 1wie s HIS 18 CO 0.01 -1.07 2.10 -0.11 -0.00 0.00 0.00 174.74 175.67 1wie n LEU 19 N 5.41 3.43 -4.54 0.89 7.94 -1.25 -2.00 117.00 126.86 1wie n LEU 19 Ca 0.05 0.54 -0.25 0.00 -1.11 0.00 0.00 56.01 55.24 1wie n LEU 19 Cb 0.54 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.91 1wie n LEU 19 CO -0.06 -0.34 -0.40 0.00 -1.11 0.00 0.00 177.39 175.48 1wie s VAL 21 N -2.54 1.28 -0.39 0.00 0.11 0.17 0.34 120.40 119.37 1wie s VAL 21 Ca 0.32 -0.87 -0.37 0.00 -2.93 0.00 0.00 61.98 58.14 1wie s VAL 21 Cb -0.01 -1.49 -0.16 0.00 -1.53 0.00 0.00 36.38 33.19 1wie s VAL 21 CO 0.17 0.04 1.31 0.00 -3.33 0.00 0.00 175.10 173.29 1wie n ALA 22 N 4.80 -0.91 0.03 1.54 0.00 -0.95 -0.78 120.51 124.23 1wie n ALA 22 Ca -0.12 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1wie n ALA 22 Cb 0.46 -1.52 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 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 4.32 -0.09 -3.48 0.00 1.12 -1.46 -2.32 114.38 112.47 1wie h ARG 23 Ca -0.31 0.01 -0.32 0.00 -1.11 0.00 0.00 59.98 58.24 1wie h ARG 23 Cb 1.08 0.02 -0.35 0.00 -0.01 0.00 0.00 29.97 30.71 1wie h ARG 23 CO 0.78 0.27 -0.73 0.71 -3.11 0.00 0.00 179.97 177.89 1wie s TYR 24 N -4.66 0.06 -0.44 2.20 2.02 -1.26 -4.65 117.35 110.62 1wie s TYR 24 Ca -0.15 0.15 -0.44 0.00 -0.37 0.00 0.00 57.07 56.26 1wie s TYR 24 Cb 0.02 -0.32 -0.19 0.00 -0.40 0.00 0.00 41.96 41.08 1wie s TYR 24 CO 0.64 -0.12 1.48 0.43 -1.57 0.00 0.00 175.55 176.41 1wie n SER 25 N 4.47 1.06 -4.04 2.29 7.64 -1.26 -4.47 113.62 119.31 1wie n SER 25 Ca -0.21 1.12 -0.14 0.00 1.01 0.00 0.00 58.87 60.65 1wie n SER 25 Cb 0.50 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 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 2.64 0.64 -0.06 1.43 6.14 0.14 -4.87 117.35 123.41 1wie s TYR 26 Ca 0.98 -0.40 -0.03 0.00 0.64 0.00 0.00 57.07 58.26 1wie s TYR 26 Cb -1.40 -0.39 0.04 0.00 0.42 0.00 0.00 41.96 40.63 1wie s TYR 26 CO 0.76 -0.06 0.07 -0.80 0.64 0.00 0.00 175.55 176.16 1wie s ASN 27 N -1.25 1.28 0.21 4.32 -0.87 -1.26 -0.24 114.94 117.13 1wie s ASN 27 Ca -0.07 -0.00 0.07 0.00 -1.57 0.00 0.00 52.86 51.29 1wie s ASN 27 Cb -0.08 -0.11 0.12 0.00 -0.02 0.00 0.00 41.25 41.15 1wie s ASN 27 CO 0.00 -0.27 1.47 1.55 -2.57 0.00 0.00 177.10 177.29 1wie h PRO 28 N 8.43 0.07 -1.19 -0.60 0.13 -1.84 -3.13 132.00 133.87 1wie h PRO 28 Ca -0.13 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.76 1wie h PRO 28 Cb 1.12 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1wie h PRO 28 CO 0.17 0.81 0.23 1.19 -0.23 0.00 0.00 178.00 180.16 1wie n PHE 29 N -3.67 0.98 -0.02 1.56 3.72 -1.26 -3.37 117.46 115.39 1wie n PHE 29 Ca -0.02 -1.12 0.01 0.00 -0.05 0.00 0.00 57.45 56.27 1wie n PHE 29 Cb 0.74 -0.56 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.20 2.97 -3.05 4.37 2.03 -1.18 -5.04 116.55 116.85 1wie n ASP 30 Ca 0.19 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.41 1wie n ASP 30 Cb 0.78 1.10 0.01 0.00 -0.72 0.00 0.00 41.12 42.29 1wie n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wie n GLY 31 N 2.21 2.65 0.00 0.27 0.00 -1.22 -4.99 105.19 104.12 1wie n GLY 31 Ca -0.07 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 43.87 1wie n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wie n PRO 32 N -1.11 0.75 -1.58 1.61 -0.04 -1.26 -4.87 135.00 128.50 1wie n PRO 32 Ca 0.01 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 62.85 1wie n PRO 32 Cb 0.23 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.99 1.08 -0.02 3.54 3.02 -1.26 -4.75 115.26 115.88 1wie n ASN 33 Ca 0.18 1.06 0.15 0.00 -0.03 0.00 0.00 54.58 55.93 1wie n ASN 33 Cb 0.08 -0.81 0.74 0.00 -0.61 0.00 0.00 39.78 39.17 1wie n ASN 33 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wie n GLU 34 N 3.94 0.46 -3.16 3.52 1.02 -1.26 -3.77 120.64 121.40 1wie n GLU 34 Ca 0.30 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.22 1wie n GLU 34 Cb -0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1wie n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1wie n ASN 35 N -1.24 1.25 0.07 1.62 4.05 -1.26 -4.90 115.26 114.85 1wie n ASN 35 Ca 0.14 -3.08 -0.10 0.00 0.45 0.00 0.00 54.58 51.98 1wie n ASN 35 Cb 0.25 -0.61 -0.00 0.00 1.23 0.00 0.00 39.78 40.64 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 3.00 0.34 0.00 1.20 0.13 -1.82 -3.07 132.00 131.78 1wie h PRO 36 Ca 0.10 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1wie h PRO 36 Cb 0.92 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1wie h PRO 36 CO 0.54 1.00 -0.04 1.05 -0.23 0.00 0.00 178.00 180.32 1wie h GLU 37 N 0.21 0.00 -0.35 0.86 4.11 -1.91 -1.82 114.58 115.68 1wie h GLU 37 Ca -0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.40 1wie h GLU 37 Cb 1.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1wie h GLU 37 CO 0.14 0.04 0.20 0.00 0.07 0.00 0.00 179.01 179.45 1wie h ALA 38 N 1.96 0.43 -3.80 1.06 0.00 -1.89 -3.44 119.26 113.58 1wie h ALA 38 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1wie h ALA 38 Cb 0.08 -0.09 0.10 0.00 0.00 0.00 0.00 17.79 17.88 1wie h ALA 38 CO 0.01 -0.16 0.22 0.39 0.00 0.00 0.00 179.25 179.71 1wie n GLU 39 N -4.90 -0.60 -4.58 0.00 1.02 -0.68 0.26 120.64 111.15 1wie n GLU 39 Ca 0.00 -1.36 -0.22 0.00 -0.02 0.00 0.00 57.16 55.57 1wie n GLU 39 Cb 0.06 -0.76 -0.15 0.00 -0.02 0.00 0.00 31.44 30.58 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 2.06 -0.94 -4.62 1.43 -0.26 -4.37 118.68 111.98 1wie s LEU 40 Ca 0.45 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 53.02 1wie s LEU 40 Cb -0.01 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1wie s LEU 40 CO 0.32 0.14 1.68 -2.16 0.23 0.00 0.00 176.35 176.56 1wie s PRO 41 N -0.50 3.07 0.61 1.29 0.04 -1.26 -4.63 135.00 133.62 1wie s PRO 41 Ca 0.05 -0.63 -0.19 0.00 0.04 0.00 0.00 61.00 60.27 1wie s PRO 41 Cb -0.06 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.33 1wie s PRO 41 CO -0.00 -2.75 1.24 -0.51 0.04 0.00 0.00 177.00 175.02 1wie s LEU 42 N 7.46 3.65 -0.31 -3.56 1.43 0.67 -4.80 118.68 123.23 1wie s LEU 42 Ca 0.57 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 56.13 1wie s LEU 42 Cb -0.04 -4.58 0.11 0.00 0.03 0.00 0.00 46.19 41.71 1wie s LEU 42 CO -0.03 -1.71 0.16 -0.89 0.23 0.00 0.00 176.35 174.10 1wie s THR 43 N -1.51 0.06 -0.20 5.49 2.01 -1.26 0.29 115.64 120.51 1wie s THR 43 Ca 0.79 -1.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1wie s THR 43 Cb -0.33 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 1wie s THR 43 CO 0.36 -0.82 0.79 0.00 -0.69 0.00 0.00 174.62 174.26 1wie n ALA 44 N 4.81 0.08 0.00 7.40 0.00 -1.25 0.23 120.51 131.78 1wie n ALA 44 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1wie n ALA 44 Cb 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 2.62 3.21 3.11 0.00 0.00 -0.87 -4.86 105.19 108.39 1wie n GLY 45 Ca 0.20 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.99 -4.26 1.61 5.02 0.62 -4.62 118.16 115.53 1wie n LYS 46 Ca 0.00 -0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 55.83 1wie n LYS 46 Cb 0.00 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.11 0.89 0.08 2.13 2.02 -1.26 -2.25 117.35 116.86 1wie s TYR 47 Ca 0.43 -0.30 -0.07 0.00 -0.37 0.00 0.00 57.07 56.76 1wie s TYR 47 Cb -0.01 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1wie s TYR 47 CO 0.59 -0.01 0.15 -0.48 -1.57 0.00 0.00 175.55 174.23 1wie s LEU 48 N -0.87 1.61 -0.14 -1.29 2.34 0.15 -4.42 118.68 116.07 1wie s LEU 48 Ca -0.00 -0.73 0.01 0.00 0.06 0.00 0.00 54.13 53.46 1wie s LEU 48 Cb -0.06 0.87 -0.00 0.00 -0.56 0.00 0.00 46.19 46.43 1wie s LEU 48 CO 0.00 -0.71 -0.16 -0.31 -1.06 0.00 0.00 176.35 174.11 1wie s TYR 49 N -3.88 2.75 -0.51 3.48 1.51 -0.73 0.24 117.35 120.22 1wie s TYR 49 Ca 0.06 -0.98 -0.16 0.00 -1.01 0.00 0.00 57.07 54.98 1wie s TYR 49 Cb 0.05 -1.85 0.09 0.00 -0.11 0.00 0.00 41.96 40.14 1wie s TYR 49 CO -0.10 -0.42 0.49 0.08 -1.11 0.00 0.00 175.55 174.48 1wie s VAL 50 N 0.66 5.14 -0.06 0.71 1.01 -0.85 0.26 120.40 127.27 1wie s VAL 50 Ca -0.08 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1wie s VAL 50 Cb -0.16 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1wie s VAL 50 CO 0.02 -0.74 1.53 -0.31 0.00 0.00 0.00 175.10 175.60 1wie s TYR 51 N 1.88 2.33 0.00 5.22 1.51 -1.20 -1.99 117.35 125.10 1wie s TYR 51 Ca 0.06 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1wie s TYR 51 Cb -0.25 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 37.81 1wie s TYR 51 CO 0.06 -3.17 0.00 0.41 -1.11 0.00 0.00 175.55 171.75 1wie n GLY 52 N 3.93 2.05 0.00 0.71 0.00 0.53 -4.73 105.19 107.68 1wie n GLY 52 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 8.46 0.00 -3.73 1.61 2.03 -1.26 -4.72 116.55 118.93 1wie n ASP 53 Ca 0.00 -0.54 -0.37 0.00 0.52 0.00 0.00 54.79 54.40 1wie n ASP 53 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1wie n ASP 53 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1wie n MET 54 N 0.00 0.00 -2.50 -0.67 2.81 -1.26 -4.65 117.12 110.85 1wie n MET 54 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 1wie n MET 54 Cb 0.00 -0.86 0.13 0.00 -0.71 0.00 0.00 33.22 31.77 1wie n MET 54 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wie s ASP 55 N -0.86 4.06 0.54 7.83 -1.08 0.62 -4.87 116.67 122.91 1wie s ASP 55 Ca 0.52 -0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.49 1wie s ASP 55 Cb -0.60 0.06 1.54 0.00 -1.46 0.00 0.00 42.92 42.46 1wie s ASP 55 CO 0.53 -2.07 2.14 -0.33 0.52 0.00 0.00 175.17 175.96 1wie h GLU 56 N -0.75 0.00 0.00 4.34 5.08 -1.92 -0.38 114.58 120.94 1wie h GLU 56 Ca -0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1wie h GLU 56 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wie h GLU 56 CO 0.38 0.08 -1.23 -0.25 -1.00 0.00 0.00 179.01 176.99 1wie n ASP 57 N -3.82 0.70 0.00 1.42 9.92 -1.26 -4.96 116.55 118.55 1wie n ASP 57 Ca -0.02 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1wie n ASP 57 Cb 0.17 0.68 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 1wie n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wie n GLY 58 N 1.22 2.37 3.70 0.44 0.00 -0.15 -5.09 105.19 107.68 1wie n GLY 58 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.32 2.23 -0.26 1.61 0.40 -1.26 -4.15 117.98 114.22 1wie s PHE 59 Ca 0.00 1.16 -0.09 0.00 -0.60 0.00 0.00 56.93 57.40 1wie s PHE 59 Cb 0.00 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1wie s PHE 59 CO 0.00 -2.59 0.12 0.71 0.70 0.00 0.00 175.22 174.16 1wie s TYR 60 N -2.94 3.14 -0.65 0.36 2.02 0.61 -0.27 117.35 119.61 1wie s TYR 60 Ca 0.64 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 57.06 1wie s TYR 60 Cb -0.18 -2.30 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 1wie s TYR 60 CO 0.57 -0.29 1.99 0.39 -1.57 0.00 0.00 175.55 176.64 1wie n GLU 61 N 4.98 1.68 -1.40 -0.62 1.02 -1.25 0.21 120.64 125.25 1wie n GLU 61 Ca -0.15 -1.18 -0.35 0.00 -0.02 0.00 0.00 57.16 55.45 1wie n GLU 61 Cb 0.51 -2.27 0.09 0.00 -0.02 0.00 0.00 31.44 29.75 1wie n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wie n GLY 62 N 3.60 -0.02 3.06 0.62 0.00 -0.93 -3.21 105.19 108.30 1wie n GLY 62 Ca 0.36 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1wie n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wie s GLU 63 N -3.55 2.42 0.25 1.61 -6.30 0.73 -2.70 118.70 111.15 1wie s GLU 63 Ca 0.76 -0.97 -0.04 0.00 -2.50 0.00 0.00 54.97 52.23 1wie s GLU 63 Cb -0.34 -2.58 0.06 0.00 0.00 0.00 0.00 34.13 31.26 1wie s GLU 63 CO 0.47 -0.39 0.13 1.28 0.02 0.00 0.00 175.26 176.78 1wie n LEU 64 N 4.60 0.00 0.06 2.70 4.77 0.59 -1.77 117.00 127.95 1wie n LEU 64 Ca -0.17 -0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 1wie n LEU 64 Cb 0.47 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.23 1wie n LEU 64 CO 0.22 -1.63 -0.54 -0.07 -1.33 0.00 0.00 177.39 174.04 1wie h LEU 65 N 0.00 0.58 0.00 2.23 3.38 -1.85 -3.26 115.31 116.39 1wie h LEU 65 Ca -0.06 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1wie h LEU 65 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wie h LEU 65 CO 0.04 1.78 0.00 -0.67 0.09 0.00 0.00 178.44 179.67 1wie n ASP 66 N -3.63 0.00 0.00 -0.43 2.03 -1.26 -4.80 116.55 108.46 1wie n ASP 66 Ca -0.25 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1wie n ASP 66 Cb 1.05 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1wie n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wie n GLY 67 N 0.28 0.64 3.68 0.27 0.00 -1.23 -5.05 105.19 103.78 1wie n GLY 67 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 1wie n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wie n GLN 68 N -1.38 2.44 -4.12 1.61 7.27 -1.26 -4.58 117.38 117.36 1wie n GLN 68 Ca 0.00 0.89 -0.30 0.00 0.07 0.00 0.00 57.00 57.66 1wie n GLN 68 Cb 0.00 -2.77 -0.08 0.00 2.41 0.00 0.00 30.24 29.80 1wie n GLN 68 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1wie s ARG 69 N 3.80 2.59 0.00 3.69 1.81 -1.26 0.22 118.95 129.79 1wie s ARG 69 Ca 0.89 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 1wie s ARG 69 Cb -0.60 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.35 1wie s ARG 69 CO 0.46 0.54 0.00 0.41 -0.68 0.00 0.00 175.30 176.03 1wie n GLY 70 N 0.50 -1.44 3.86 -3.53 0.00 -1.10 -4.91 105.19 98.57 1wie n GLY 70 Ca -0.10 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 3.74 -0.17 0.99 1.43 0.72 -2.19 118.68 123.20 1wie s LEU 71 Ca 0.00 1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.28 1wie s LEU 71 Cb 0.00 -4.19 0.05 0.00 0.03 0.00 0.00 46.19 42.09 1wie s LEU 71 CO 0.00 -0.48 0.41 -0.69 0.23 0.00 0.00 176.35 175.82 1wie s VAL 72 N -2.49 -0.02 0.14 -1.59 1.01 0.13 -1.10 120.40 116.48 1wie s VAL 72 Ca 0.54 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1wie s VAL 72 Cb -0.10 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1wie s VAL 72 CO 0.32 0.03 1.14 -2.16 0.00 0.00 0.00 175.10 174.43 1wie s PRO 73 N 1.12 4.53 0.00 2.72 0.04 -1.26 0.23 135.00 142.37 1wie s PRO 73 Ca -0.07 1.74 0.16 0.00 0.04 0.00 0.00 61.00 62.87 1wie s PRO 73 Cb -0.07 -3.30 0.90 0.00 0.04 0.00 0.00 34.50 32.07 1wie s PRO 73 CO -0.10 -0.05 1.43 0.45 0.04 0.00 0.00 177.00 178.78 1wie n SER 74 N 2.90 0.00 -0.88 6.66 2.88 -1.26 -1.11 113.62 122.81 1wie n SER 74 Ca 0.05 -0.22 0.12 0.00 -1.33 0.00 0.00 58.87 57.49 1wie n SER 74 Cb 0.46 -0.15 0.23 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.15 2.72 -2.66 -3.46 3.02 -1.26 -4.16 115.26 108.31 1wie n ASN 75 Ca 0.10 -1.88 -0.03 0.00 -0.03 0.00 0.00 54.58 52.74 1wie n ASN 75 Cb 0.09 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.07 1.36 -3.64 3.10 3.01 -0.27 -4.83 117.46 117.26 1wie n PHE 76 Ca 0.17 -2.06 -0.15 0.00 1.01 0.00 0.00 57.45 56.42 1wie n PHE 76 Cb 0.53 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 39.69 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 -3.70 0.03 -0.22 -4.37 -7.23 -1.23 -1.32 120.40 102.36 1wie s VAL 77 Ca 0.30 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1wie s VAL 77 Cb 0.33 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 36.50 1wie s VAL 77 CO -0.04 -0.15 0.06 -0.62 -0.31 0.00 0.00 175.10 174.04 1wie s ASP 78 N -1.47 3.04 -0.81 4.85 -1.08 0.04 -4.62 116.67 116.61 1wie s ASP 78 Ca -0.10 -0.95 -0.19 0.00 -0.52 0.00 0.00 52.55 50.79 1wie s ASP 78 Cb -0.02 -0.55 -0.20 0.00 -1.46 0.00 0.00 42.92 40.70 1wie s ASP 78 CO 0.04 -0.34 2.12 0.49 0.52 0.00 0.00 175.17 178.00 1wie n PHE 79 N 5.08 0.67 -1.06 -5.34 3.72 -1.26 0.46 117.46 119.73 1wie n PHE 79 Ca -0.07 -0.04 -0.28 0.00 -0.05 0.00 0.00 57.45 57.00 1wie n PHE 79 Cb 0.46 -1.81 0.19 0.00 -0.94 0.00 0.00 39.48 37.39 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 9.67 2.02 -0.15 -4.37 0.11 0.20 -4.91 120.40 122.97 1wie s VAL 80 Ca 0.90 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.95 1wie s VAL 80 Cb -0.29 -2.42 -0.01 0.00 -1.53 0.00 0.00 36.38 32.12 1wie s VAL 80 CO 0.22 -0.01 -0.11 0.00 -3.33 0.00 0.00 175.10 171.87 1wie s GLN 81 N -4.88 3.40 -0.04 1.54 -2.07 -1.26 -4.63 119.66 111.72 1wie s GLN 81 Ca 0.66 -0.67 -0.24 0.00 -1.82 0.00 0.00 55.36 53.30 1wie s GLN 81 Cb -0.20 -2.71 -0.18 0.00 -1.09 0.00 0.00 33.01 28.84 1wie s GLN 81 CO 0.59 0.15 1.04 0.22 -1.32 0.00 0.00 175.29 175.97 1wie h ASP 82 N 6.92 -0.13 -5.49 12.60 1.82 -1.96 -3.49 116.42 126.68 1wie h ASP 82 Ca -0.29 -0.41 0.01 0.00 -0.39 0.00 0.00 57.03 55.94 1wie h ASP 82 Cb 1.20 0.03 -0.08 0.00 0.68 0.00 0.00 39.33 41.17 1wie h ASP 82 CO 0.57 0.40 -0.96 0.59 -1.61 0.00 0.00 179.24 178.23 1wie n ASN 83 N -4.91 -3.51 -0.05 2.28 4.13 -1.26 -5.00 115.26 106.94 1wie n ASN 83 Ca -0.08 1.18 -0.11 0.00 1.68 0.00 0.00 54.58 57.25 1wie n ASN 83 Cb 0.27 -3.76 -0.04 0.00 -1.54 0.00 0.00 39.78 34.72 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 2.00 0.24 -2.79 3.52 -0.58 -1.26 -5.10 120.64 116.67 1wie n GLU 84 Ca -0.24 0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.59 1wie n GLU 84 Cb 0.39 -0.90 -0.01 0.00 -0.57 0.00 0.00 31.44 30.36 1wie n GLU 84 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wie n SER 85 N -3.54 -6.88 0.04 1.62 7.64 -1.26 -5.01 113.62 106.23 1wie n SER 85 Ca -0.21 1.26 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wie n SER 85 Cb 0.62 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 1wie n SER 85 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wie n ARG 86 N 0.97 0.00 -2.86 1.43 5.12 -1.26 -5.11 116.66 114.95 1wie n ARG 86 Ca -0.05 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.66 1wie n ARG 86 Cb 0.16 -0.19 0.06 0.00 -1.16 0.00 0.00 32.46 31.33 1wie n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wie s LEU 87 N -6.02 3.18 0.23 0.55 1.43 -1.26 -5.13 118.68 111.66 1wie s LEU 87 Ca 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1wie s LEU 87 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1wie s LEU 87 CO 0.00 -1.37 0.13 0.00 0.23 0.00 0.00 176.35 175.34 1wie s ALA 88 N -2.76 1.45 0.21 4.21 0.00 -1.26 -5.08 121.76 118.53 1wie s ALA 88 Ca 0.61 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1wie s ALA 88 Cb -0.07 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1wie s ALA 88 CO 0.39 -0.54 0.00 0.45 0.00 0.00 0.00 175.76 176.06 1wie n SER 89 N -0.44 -7.01 -3.63 0.00 2.88 -1.26 -5.10 113.62 99.06 1wie n SER 89 Ca 0.01 0.94 -0.06 0.00 -1.33 0.00 0.00 58.87 58.44 1wie n SER 89 Cb 0.66 -3.50 -0.06 0.00 -0.75 0.00 0.00 64.21 60.56 1wie n SER 89 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wie s THR 90 N -1.05 0.00 0.83 2.46 -1.32 -1.26 -5.15 115.64 110.14 1wie s THR 90 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1wie s THR 90 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1wie s THR 90 CO 0.00 0.00 -0.59 -0.24 -2.21 0.00 0.00 174.62 171.58 1wie n SER 91 N 1.36 -5.19 0.00 8.08 2.88 -1.26 -4.87 113.62 114.62 1wie n SER 91 Ca -0.09 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1wie n SER 91 Cb 0.57 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1wie n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wie n GLY 92 N 3.11 2.46 3.82 0.46 0.00 -1.26 -5.11 105.19 108.67 1wie n GLY 92 Ca 0.01 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1wie n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wie s PRO 93 N -3.74 3.07 -0.28 1.61 0.04 -1.26 -4.60 135.00 129.85 1wie s PRO 93 Ca 0.00 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1wie s PRO 93 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1wie s PRO 93 CO 0.00 -0.99 0.06 0.43 0.04 0.00 0.00 177.00 176.54 1wie n SER 94 N -2.79 -6.04 -3.64 6.66 7.64 -1.26 -5.07 113.62 109.14 1wie n SER 94 Ca 0.08 1.41 -0.05 0.00 1.01 0.00 0.00 58.87 61.32 1wie n SER 94 Cb 0.53 -5.31 -0.06 0.00 -1.01 0.00 0.00 64.21 58.36 1wie n SER 94 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wie s SER 95 N -1.38 -0.94 0.00 6.43 0.01 -1.26 -5.25 113.70 111.31 1wie s SER 95 Ca -0.07 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1wie s SER 95 Cb 0.00 1.59 0.00 0.00 0.21 0.00 0.00 66.02 67.82 1wie s SER 95 CO 0.79 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.83