#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wie s SER 2 N 0.00 5.09 0.00 1.61 0.15 -1.26 -5.10 113.70 114.19 1wie s SER 2 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wie s SER 2 Cb 0.00 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1wie s SER 2 CO 0.00 0.29 0.00 -1.54 1.20 0.00 0.00 173.24 173.19 1wie n SER 3 N 1.45 0.00 0.00 5.45 3.41 -1.26 -5.17 113.62 117.50 1wie n SER 3 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1wie n SER 3 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1wie n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wie n GLY 4 N -0.02 3.80 3.56 5.00 0.00 -1.26 -5.13 105.19 111.14 1wie n GLY 4 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.73 -0.34 1.61 0.15 -1.26 -4.47 113.70 111.12 1wie s SER 5 Ca 0.00 1.77 -0.05 0.00 0.70 0.00 0.00 55.95 58.37 1wie s SER 5 Cb 0.00 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1wie s SER 5 CO 0.00 -3.78 0.19 -1.20 1.20 0.00 0.00 173.24 169.65 1wie n SER 6 N -4.65 -8.01 -4.88 5.45 7.64 -1.26 -4.99 113.62 102.92 1wie n SER 6 Ca 0.06 1.15 -0.32 0.00 1.01 0.00 0.00 58.87 60.77 1wie n SER 6 Cb 0.53 -5.32 -0.05 0.00 -1.01 0.00 0.00 64.21 58.36 1wie n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wie s GLY 7 N -1.93 2.26 0.10 0.23 0.00 -1.26 -5.08 107.32 101.63 1wie s GLY 7 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 1wie s GLY 7 CO 0.78 -0.19 0.15 -1.30 0.00 0.00 0.00 173.10 172.53 1wie n THR 8 N -0.14 0.00 -2.11 0.90 -2.24 -1.26 -5.07 114.28 104.37 1wie n THR 8 Ca 0.00 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1wie n THR 8 Cb 0.52 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1wie n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wie s SER 9 N -1.60 5.26 -0.02 3.42 0.01 -1.26 -4.75 113.70 114.75 1wie s SER 9 Ca 0.08 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.27 1wie s SER 9 Cb -0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1wie s SER 9 CO 0.05 -2.70 0.16 0.11 0.41 0.00 0.00 173.24 171.27 1wie h LYS 10 N 10.65 -0.06 -4.52 12.44 1.57 -2.02 -3.47 116.57 131.17 1wie h LYS 10 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.57 1wie h LYS 10 Cb 0.98 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.02 1wie h LYS 10 CO 1.24 -0.04 -0.77 -0.65 -0.57 0.00 0.00 179.45 178.66 1wie s GLN 11 N -1.55 0.60 -1.00 3.15 -0.21 -1.26 -5.07 119.66 114.32 1wie s GLN 11 Ca -0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 55.36 55.10 1wie s GLN 11 Cb 0.00 -0.58 0.30 0.00 1.00 0.00 0.00 33.01 33.73 1wie s GLN 11 CO 0.03 0.15 1.37 0.54 -2.12 0.00 0.00 175.29 175.25 1wie n ARG 12 N 2.95 4.18 0.00 2.91 1.74 -1.26 -4.24 116.66 122.93 1wie n ARG 12 Ca -0.14 -4.58 0.00 0.00 -0.77 0.00 0.00 57.85 52.36 1wie n ARG 12 Cb 0.57 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1wie n ARG 12 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1wie n TYR 13 N 1.19 0.00 0.29 -1.55 4.19 -1.26 -4.94 117.16 115.07 1wie n TYR 13 Ca 0.27 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.52 1wie n TYR 13 Cb 0.34 0.00 0.17 0.00 0.49 0.00 0.00 39.34 40.35 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 0.00 2.89 -3.58 2.98 7.64 -1.26 -4.82 113.62 117.47 1wie n SER 14 Ca 0.00 -2.35 -0.28 0.00 1.01 0.00 0.00 58.87 57.25 1wie n SER 14 Cb 0.00 -0.53 0.22 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.40 -2.34 3.46 0.23 0.00 -1.26 -5.01 105.19 100.66 1wie n GLY 15 Ca 0.12 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1wie n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wie n LYS 16 N -4.30 -1.78 -4.21 1.61 5.02 -1.26 -4.61 118.16 108.62 1wie n LYS 16 Ca 0.15 -0.49 -0.23 0.00 -2.02 0.00 0.00 58.31 55.72 1wie n LYS 16 Cb 0.55 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 1wie n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wie s VAL 17 N -2.41 3.92 -0.26 -0.18 1.01 -1.26 -2.66 120.40 118.57 1wie s VAL 17 Ca 0.65 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1wie s VAL 17 Cb -0.22 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.20 1wie s VAL 17 CO 0.64 -0.35 0.38 -1.00 0.00 0.00 0.00 175.10 174.78 1wie s HIS 18 N -2.21 -0.87 -0.14 5.22 0.09 -0.67 -4.87 115.29 111.84 1wie s HIS 18 Ca 0.32 0.58 -0.29 0.00 -0.00 0.00 0.00 55.06 55.66 1wie s HIS 18 Cb -0.07 -0.08 -0.02 0.00 -0.00 0.00 0.00 32.58 32.41 1wie s HIS 18 CO 0.22 -0.83 1.31 -1.17 -0.00 0.00 0.00 174.74 174.26 1wie s LEU 19 N 2.53 4.21 0.37 0.89 2.96 -1.25 0.10 118.68 128.49 1wie s LEU 19 Ca 0.11 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 55.89 1wie s LEU 19 Cb -0.14 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1wie s LEU 19 CO -0.22 -0.76 0.05 0.00 -1.32 0.00 0.00 176.35 174.10 1wie s VAL 21 N -2.57 0.14 -0.18 0.00 0.11 0.29 -0.56 120.40 117.63 1wie s VAL 21 Ca 0.36 -0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 1wie s VAL 21 Cb 0.02 -1.08 -0.13 0.00 -1.53 0.00 0.00 36.38 33.66 1wie s VAL 21 CO 0.20 -0.66 0.89 0.00 -3.33 0.00 0.00 175.10 172.20 1wie n ALA 22 N 5.17 -1.63 -0.08 1.54 0.00 -1.11 -1.78 120.51 122.62 1wie n ALA 22 Ca -0.05 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1wie n ALA 22 Cb 0.43 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 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 2.69 0.00 0.00 0.00 2.43 -1.25 0.22 114.38 118.47 1wie h ARG 23 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1wie h ARG 23 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1wie h ARG 23 CO 0.54 0.92 0.00 0.66 -1.51 0.00 0.00 179.97 180.58 1wie n TYR 24 N -4.58 0.00 -0.26 2.20 4.01 -1.26 -4.65 117.16 112.63 1wie n TYR 24 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1wie n TYR 24 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1wie n TYR 24 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1wie n SER 25 N -0.13 0.00 0.00 7.72 3.41 -1.26 -4.48 113.62 118.89 1wie n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wie n SER 25 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1wie n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wie n TYR 26 N -0.79 0.00 -3.43 7.33 4.19 -0.94 -4.83 117.16 118.68 1wie n TYR 26 Ca 0.00 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.80 1wie n TYR 26 Cb 0.00 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 39.73 1wie n TYR 26 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1wie s ASN 27 N 0.00 6.15 0.19 2.98 -0.87 -1.26 -0.69 114.94 121.43 1wie s ASN 27 Ca 0.00 -0.38 0.03 0.00 -1.57 0.00 0.00 52.86 50.95 1wie s ASN 27 Cb 0.00 -2.18 0.07 0.00 -0.02 0.00 0.00 41.25 39.11 1wie s ASN 27 CO 0.00 -0.35 1.43 1.55 -2.57 0.00 0.00 177.10 177.16 1wie h PRO 28 N 8.51 0.19 -1.28 -0.60 0.13 -1.84 -3.15 132.00 133.96 1wie h PRO 28 Ca -0.30 -0.19 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1wie h PRO 28 Cb 1.14 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1wie h PRO 28 CO 0.69 0.89 0.24 1.19 -0.23 0.00 0.00 178.00 180.79 1wie n PHE 29 N -3.71 1.02 -0.03 1.56 3.72 -1.26 -3.43 117.46 115.33 1wie n PHE 29 Ca -0.03 -1.23 -0.02 0.00 -0.05 0.00 0.00 57.45 56.11 1wie n PHE 29 Cb 0.76 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.28 3.31 -4.20 4.37 -0.08 -1.19 -5.05 116.55 113.98 1wie n ASP 30 Ca 0.20 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.33 1wie n ASP 30 Cb 0.75 0.78 0.05 0.00 2.34 0.00 0.00 41.12 45.04 1wie n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wie n GLY 31 N 2.49 1.89 0.00 0.27 0.00 -1.22 -4.97 105.19 103.64 1wie n GLY 31 Ca -0.10 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.98 0.75 -0.99 1.61 -0.04 -1.26 -4.89 135.00 128.20 1wie n PRO 32 Ca 0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1wie n PRO 32 Cb 0.45 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.95 -3.23 -0.06 3.54 3.02 -1.26 -4.88 115.26 111.45 1wie n ASN 33 Ca 0.16 0.48 0.06 0.00 -0.03 0.00 0.00 54.58 55.25 1wie n ASN 33 Cb 0.07 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.51 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 1.33 2.84 -3.15 3.52 0.28 -1.26 -4.62 120.64 119.57 1wie n GLU 34 Ca 0.05 -0.14 -0.20 0.00 -0.16 0.00 0.00 57.16 56.72 1wie n GLU 34 Cb 0.39 -1.08 -0.03 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.06 1.45 0.08 -1.84 4.05 -1.26 -4.90 115.26 111.78 1wie n ASN 35 Ca 0.03 -3.12 -0.09 0.00 0.45 0.00 0.00 54.58 51.85 1wie n ASN 35 Cb 0.20 -0.61 0.01 0.00 1.23 0.00 0.00 39.78 40.61 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 3.01 0.26 0.00 1.20 0.13 -1.82 -3.05 132.00 131.73 1wie h PRO 36 Ca 0.10 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1wie h PRO 36 Cb 0.89 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1wie h PRO 36 CO 0.55 0.95 -0.02 1.05 -0.23 0.00 0.00 178.00 180.31 1wie h GLU 37 N 0.16 0.00 -0.95 0.86 4.11 -1.91 -0.88 114.58 115.96 1wie h GLU 37 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1wie h GLU 37 Cb 1.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 1wie h GLU 37 CO 0.13 0.02 0.58 0.00 0.07 0.00 0.00 179.01 179.81 1wie h ALA 38 N 1.98 1.22 -4.53 1.06 0.00 -1.89 -3.44 119.26 113.67 1wie h ALA 38 Ca -0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1wie h ALA 38 Cb 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 17.79 17.51 1wie h ALA 38 CO 0.00 0.66 0.12 0.39 0.00 0.00 0.00 179.25 180.43 1wie n GLU 39 N -4.36 -0.09 -4.72 0.00 1.02 -0.34 0.22 120.64 112.38 1wie n GLU 39 Ca 0.11 -1.62 -0.24 0.00 -0.02 0.00 0.00 57.16 55.39 1wie n GLU 39 Cb 0.05 -0.53 -0.15 0.00 -0.02 0.00 0.00 31.44 30.79 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 1.97 -1.06 -4.62 1.43 -0.29 -4.34 118.68 111.76 1wie s LEU 40 Ca 0.43 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1wie s LEU 40 Cb -0.02 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 1wie s LEU 40 CO 0.29 0.17 1.74 -2.16 0.23 0.00 0.00 176.35 176.62 1wie s PRO 41 N -0.18 3.14 0.61 1.29 0.04 -1.25 -4.62 135.00 134.04 1wie s PRO 41 Ca 0.02 -1.03 -0.19 0.00 0.04 0.00 0.00 61.00 59.85 1wie s PRO 41 Cb -0.08 -5.28 -0.03 0.00 0.04 0.00 0.00 34.50 29.15 1wie s PRO 41 CO 0.00 -2.90 1.15 1.28 0.04 0.00 0.00 177.00 176.57 1wie n LEU 42 N 11.37 4.90 -3.63 -3.56 4.77 0.13 -4.78 117.00 126.20 1wie n LEU 42 Ca 0.40 0.84 -0.29 0.00 -0.03 0.00 0.00 56.01 56.93 1wie n LEU 42 Cb 0.48 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 1wie n LEU 42 CO 0.66 -1.34 -0.30 -0.89 -1.33 0.00 0.00 177.39 174.19 1wie s THR 43 N -1.43 0.75 -0.15 -5.08 2.01 -1.26 -2.22 115.64 108.25 1wie s THR 43 Ca 0.78 -1.81 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1wie s THR 43 Cb -0.40 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 1wie s THR 43 CO 0.44 -0.84 0.58 0.00 -0.69 0.00 0.00 174.62 174.11 1wie n ALA 44 N 4.23 -0.09 0.00 7.40 0.00 -1.26 0.21 120.51 131.01 1wie n ALA 44 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wie n ALA 44 Cb 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.87 3.14 3.03 0.00 0.00 0.79 -4.95 105.19 109.06 1wie n GLY 45 Ca 0.14 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.79 -4.11 1.61 5.02 0.57 -4.63 118.16 114.83 1wie n LYS 46 Ca 0.00 -0.53 -0.15 0.00 -2.02 0.00 0.00 58.31 55.62 1wie n LYS 46 Cb 0.00 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.09 0.75 0.08 2.13 2.02 -1.26 -2.75 117.35 116.22 1wie s TYR 47 Ca 0.36 -0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 1wie s TYR 47 Cb -0.05 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 1wie s TYR 47 CO 0.39 -0.05 0.29 -0.48 -1.57 0.00 0.00 175.55 174.13 1wie s LEU 48 N -1.37 0.93 -0.13 -1.29 -0.00 0.28 -3.66 118.68 113.44 1wie s LEU 48 Ca -0.07 -0.36 -0.00 0.00 -0.00 0.00 0.00 54.13 53.70 1wie s LEU 48 Cb -0.09 1.37 -0.02 0.00 -0.00 0.00 0.00 46.19 47.46 1wie s LEU 48 CO 0.01 -0.71 -0.11 -0.31 -0.00 0.00 0.00 176.35 175.22 1wie s TYR 49 N -3.25 2.84 -0.31 3.48 2.02 -1.19 0.27 117.35 121.20 1wie s TYR 49 Ca -0.00 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 1wie s TYR 49 Cb 0.02 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1wie s TYR 49 CO -0.08 -0.13 0.19 0.08 -1.57 0.00 0.00 175.55 174.04 1wie s VAL 50 N 0.23 4.96 -0.98 0.71 1.01 0.11 0.25 120.40 126.70 1wie s VAL 50 Ca -0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1wie s VAL 50 Cb -0.15 -3.50 0.22 0.00 0.00 0.00 0.00 36.38 32.95 1wie s VAL 50 CO 0.05 0.09 1.01 -0.31 0.00 0.00 0.00 175.10 175.93 1wie s TYR 51 N 1.68 3.80 0.00 5.22 1.51 -1.11 -1.67 117.35 126.78 1wie s TYR 51 Ca 0.06 -2.14 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 1wie s TYR 51 Cb -0.17 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 37.73 1wie s TYR 51 CO 0.08 -1.10 0.00 0.41 -1.11 0.00 0.00 175.55 173.83 1wie n GLY 52 N 3.82 2.48 0.00 0.71 0.00 -1.09 -4.43 105.19 106.68 1wie n GLY 52 Ca 0.21 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 -4.60 1.61 -0.08 -1.26 -4.75 116.55 107.48 1wie n ASP 53 Ca 0.00 -0.21 -0.35 0.00 -1.51 0.00 0.00 54.79 52.73 1wie n ASP 53 Cb 0.00 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.56 1wie n ASP 53 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1wie n MET 54 N -0.21 0.25 -2.61 -0.67 0.00 -1.26 -4.65 117.12 107.97 1wie n MET 54 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 57.70 57.61 1wie n MET 54 Cb 0.00 -2.20 0.10 0.00 0.00 0.00 0.00 33.22 31.12 1wie n MET 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1wie s ASP 55 N -1.85 4.49 0.31 3.17 2.15 0.14 -4.80 116.67 120.29 1wie s ASP 55 Ca 0.70 -0.33 0.04 0.00 0.43 0.00 0.00 52.55 53.39 1wie s ASP 55 Cb -0.31 -0.12 0.65 0.00 -0.30 0.00 0.00 42.92 42.84 1wie s ASP 55 CO 0.54 -1.76 1.85 1.05 -0.17 0.00 0.00 175.17 176.68 1wie h GLU 56 N -0.43 0.87 0.00 4.34 4.11 -1.95 0.26 114.58 121.78 1wie h GLU 56 Ca -0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1wie h GLU 56 Cb 1.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wie h GLU 56 CO 0.42 0.57 -0.67 -0.44 0.07 0.00 0.00 179.01 178.96 1wie h ASP 57 N 0.89 0.00 0.00 3.06 5.19 -2.03 -3.47 116.42 120.06 1wie h ASP 57 Ca 0.48 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1wie h ASP 57 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1wie h ASP 57 CO -0.25 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.55 1wie n GLY 58 N 1.27 0.83 3.63 2.75 0.00 0.92 -5.13 105.19 109.46 1wie n GLY 58 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.60 2.52 -0.16 1.61 0.08 -1.26 -4.59 117.98 114.59 1wie s PHE 59 Ca 0.00 -0.53 -0.03 0.00 0.12 0.00 0.00 56.93 56.49 1wie s PHE 59 Cb 0.00 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1wie s PHE 59 CO 0.00 0.45 -0.06 0.71 -0.10 0.00 0.00 175.22 176.22 1wie s TYR 60 N -2.60 2.97 -0.93 0.36 2.02 0.68 0.28 117.35 120.13 1wie s TYR 60 Ca 0.35 -0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 56.54 1wie s TYR 60 Cb 0.04 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.56 1wie s TYR 60 CO 0.19 -0.14 2.38 0.39 -1.57 0.00 0.00 175.55 176.80 1wie n GLU 61 N 3.70 2.33 -1.05 -0.62 1.02 -1.26 0.18 120.64 124.94 1wie n GLU 61 Ca -0.18 -1.50 -0.34 0.00 -0.02 0.00 0.00 57.16 55.12 1wie n GLU 61 Cb 0.52 -2.43 0.11 0.00 -0.02 0.00 0.00 31.44 29.62 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 3.55 -1.18 2.62 0.62 0.00 -0.57 -2.75 105.19 107.49 1wie n GLY 62 Ca 0.50 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.51 1.37 0.51 1.61 2.12 0.70 -2.34 118.70 119.17 1wie s GLU 63 Ca 0.65 -2.30 -0.15 0.00 0.36 0.00 0.00 54.97 53.54 1wie s GLU 63 Cb -0.28 -2.18 -0.13 0.00 0.26 0.00 0.00 34.13 31.80 1wie s GLU 63 CO 0.59 -1.27 -0.23 1.28 -0.54 0.00 0.00 175.26 175.08 1wie n LEU 64 N 2.98 -3.52 0.30 2.70 4.32 0.14 -3.20 117.00 120.72 1wie n LEU 64 Ca 0.19 0.46 0.20 0.00 -0.02 0.00 0.00 56.01 56.84 1wie n LEU 64 Cb 0.39 -0.69 1.06 0.00 -1.62 0.00 0.00 43.42 42.56 1wie n LEU 64 CO 0.18 -4.24 1.10 -0.07 -1.22 0.00 0.00 177.39 173.14 1wie h LEU 65 N -0.19 0.00 -0.23 2.23 3.38 -1.89 0.69 115.31 119.29 1wie h LEU 65 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1wie h LEU 65 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wie h LEU 65 CO 0.31 0.00 -0.05 -0.67 0.09 0.00 0.00 178.44 178.13 1wie n ASP 66 N -2.91 0.40 0.00 -0.43 -0.08 -1.26 -4.86 116.55 107.42 1wie n ASP 66 Ca -0.02 -0.76 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1wie n ASP 66 Cb 0.08 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1wie n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wie n GLY 67 N 1.18 0.68 3.65 0.27 0.00 0.24 -5.02 105.19 106.20 1wie n GLY 67 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.68 4.00 -0.32 1.61 0.74 -1.21 -4.71 119.66 119.08 1wie s GLN 68 Ca 0.00 2.39 -0.08 0.00 0.05 0.00 0.00 55.36 57.72 1wie s GLN 68 Cb 0.00 -4.15 0.01 0.00 1.10 0.00 0.00 33.01 29.98 1wie s GLN 68 CO 0.00 -1.10 0.13 1.03 -0.55 0.00 0.00 175.29 174.79 1wie s ARG 69 N 4.63 3.01 0.30 1.67 0.52 -1.26 0.24 118.95 128.06 1wie s ARG 69 Ca 0.86 -0.93 -0.20 0.00 -0.52 0.00 0.00 55.73 54.95 1wie s ARG 69 Cb -0.38 -3.51 0.03 0.00 0.52 0.00 0.00 34.95 31.60 1wie s ARG 69 CO 0.38 -0.53 0.72 0.20 0.02 0.00 0.00 175.30 176.09 1wie s GLY 70 N 1.52 0.03 1.00 -3.53 0.00 -0.99 -4.92 107.32 100.43 1wie s GLY 70 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1wie s GLY 70 CO 0.04 -0.15 1.10 1.08 0.00 0.00 0.00 173.10 175.17 1wie s LEU 71 N -2.95 2.09 -0.26 0.66 1.43 0.61 -1.51 118.68 118.75 1wie s LEU 71 Ca 0.12 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 1wie s LEU 71 Cb -0.06 -4.12 0.09 0.00 0.03 0.00 0.00 46.19 42.14 1wie s LEU 71 CO 0.08 -3.45 0.60 -0.69 0.23 0.00 0.00 176.35 173.12 1wie s VAL 72 N -2.61 -0.40 0.15 -1.59 1.01 0.48 -1.14 120.40 116.31 1wie s VAL 72 Ca 0.67 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1wie s VAL 72 Cb -0.23 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 1wie s VAL 72 CO 0.60 0.02 1.13 -2.16 0.00 0.00 0.00 175.10 174.69 1wie s PRO 73 N 2.12 4.55 0.00 2.72 0.04 -1.26 0.25 135.00 143.41 1wie s PRO 73 Ca -0.08 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1wie s PRO 73 Cb -0.09 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1wie s PRO 73 CO -0.18 -0.01 0.86 -1.13 0.04 0.00 0.00 177.00 176.58 1wie n SER 74 N 2.70 0.01 -0.00 6.66 3.41 -1.26 -2.04 113.62 123.09 1wie n SER 74 Ca 0.04 -1.73 0.07 0.00 -0.26 0.00 0.00 58.87 56.99 1wie n SER 74 Cb 0.46 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 1wie n SER 74 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wie n ASN 75 N -0.50 0.81 -0.10 4.04 6.94 -1.26 -4.36 115.26 120.83 1wie n ASN 75 Ca 0.00 -0.74 0.05 0.00 -0.02 0.00 0.00 54.58 53.88 1wie n ASN 75 Cb 0.00 1.10 0.08 0.00 -2.36 0.00 0.00 39.78 38.59 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1wie n PHE 76 N -1.45 0.00 -4.30 -2.53 3.72 -0.87 -4.83 117.46 107.21 1wie n PHE 76 Ca 0.02 -0.67 -0.18 0.00 -0.05 0.00 0.00 57.45 56.57 1wie n PHE 76 Cb 0.26 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 1wie n PHE 76 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1wie s VAL 77 N -1.82 0.72 -0.28 -4.37 -7.23 -1.15 -0.78 120.40 105.49 1wie s VAL 77 Ca 0.17 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1wie s VAL 77 Cb 0.15 -0.63 0.08 0.00 0.56 0.00 0.00 36.38 36.53 1wie s VAL 77 CO 0.02 0.09 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.26 1wie s ASP 78 N -0.51 4.29 -0.89 4.85 2.15 -0.73 -4.75 116.67 121.07 1wie s ASP 78 Ca 0.01 -1.58 -0.18 0.00 0.43 0.00 0.00 52.55 51.24 1wie s ASP 78 Cb -0.05 -1.36 -0.24 0.00 -0.30 0.00 0.00 42.92 40.97 1wie s ASP 78 CO 0.00 -0.29 2.30 0.49 -0.17 0.00 0.00 175.17 177.50 1wie n PHE 79 N 4.51 0.58 -1.29 -5.34 3.72 -1.26 -0.55 117.46 117.83 1wie n PHE 79 Ca -0.06 0.01 -0.31 0.00 -0.05 0.00 0.00 57.45 57.03 1wie n PHE 79 Cb 0.43 -1.57 0.09 0.00 -0.94 0.00 0.00 39.48 37.48 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 7.31 3.37 0.00 -4.37 0.11 -0.48 -4.93 120.40 121.41 1wie s VAL 80 Ca 1.14 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 1wie s VAL 80 Cb -0.52 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1wie s VAL 80 CO 0.34 -0.58 0.00 0.00 -3.33 0.00 0.00 175.10 171.53 1wie n GLN 81 N -3.50 2.85 0.00 1.54 10.64 -1.26 -4.48 117.38 123.17 1wie n GLN 81 Ca 0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1wie n GLN 81 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 1wie n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wie n ASP 82 N 0.00 0.00 -3.44 2.61 -0.08 -1.26 -4.70 116.55 109.68 1wie n ASP 82 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 1wie n ASP 82 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1wie n ASP 82 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1wie s ASN 83 N 0.00 2.59 0.08 1.67 -0.87 -1.26 -5.03 114.94 112.12 1wie s ASN 83 Ca 0.00 -2.16 -0.18 0.00 -1.57 0.00 0.00 52.86 48.95 1wie s ASN 83 Cb 0.00 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.25 40.92 1wie s ASN 83 CO 0.00 -0.29 1.31 -0.33 -2.57 0.00 0.00 177.10 175.22 1wie h GLU 84 N 6.91 -0.14 -1.64 -0.60 4.39 -1.89 -3.45 114.58 118.16 1wie h GLU 84 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1wie h GLU 84 Cb 0.98 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1wie h GLU 84 CO 0.26 -0.10 -0.02 0.45 -1.16 0.00 0.00 179.01 178.44 1wie n SER 85 N -4.23 -2.15 -0.54 1.42 2.88 -1.26 -4.72 113.62 105.03 1wie n SER 85 Ca -0.01 0.03 0.45 0.00 -1.33 0.00 0.00 58.87 58.01 1wie n SER 85 Cb 0.18 -1.08 0.78 0.00 -0.75 0.00 0.00 64.21 63.33 1wie n SER 85 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1wie h ARG 86 N 0.09 0.02 -7.05 -1.46 -0.00 -2.00 -3.40 114.38 100.58 1wie h ARG 86 Ca 0.00 -0.00 -0.55 0.00 -0.00 0.00 0.00 59.98 59.43 1wie h ARG 86 Cb 0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 29.97 30.14 1wie h ARG 86 CO 0.00 0.01 0.23 1.28 -0.00 0.00 0.00 179.97 181.50 1wie n LEU 87 N -4.12 4.17 0.00 0.08 4.77 -1.26 -4.98 117.00 115.66 1wie n LEU 87 Ca 0.37 0.66 0.01 0.00 -0.03 0.00 0.00 56.01 57.02 1wie n LEU 87 Cb 1.66 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1wie n LEU 87 CO 0.40 -1.78 0.23 0.00 -1.33 0.00 0.00 177.39 174.92 1wie n ALA 88 N -2.68 -0.76 -2.39 -1.18 0.00 -1.26 -5.09 120.51 107.15 1wie n ALA 88 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1wie n ALA 88 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1wie n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wie n SER 89 N -0.20 -7.74 -3.62 0.00 2.88 -1.26 -5.08 113.62 98.60 1wie n SER 89 Ca 0.01 1.76 -0.10 0.00 -1.33 0.00 0.00 58.87 59.21 1wie n SER 89 Cb 0.11 -5.00 -0.07 0.00 -0.75 0.00 0.00 64.21 58.50 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 -0.57 0.00 -0.17 2.46 -1.32 -1.26 -5.12 115.64 109.66 1wie s THR 90 Ca -0.04 0.00 -0.42 0.00 -1.21 0.00 0.00 61.69 60.02 1wie s THR 90 Cb 0.00 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.80 1wie s THR 90 CO 0.11 0.00 1.28 -0.24 -2.21 0.00 0.00 174.62 173.56 1wie n SER 91 N 1.92 0.57 0.00 8.08 2.88 -1.26 -4.80 113.62 121.02 1wie n SER 91 Ca -0.12 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wie n SER 91 Cb 0.56 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 2.47 3.84 3.77 0.46 0.00 -1.26 -5.11 105.19 109.36 1wie n GLY 92 Ca 0.24 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.70 -0.09 -0.29 1.61 0.04 -1.26 -5.10 135.00 126.21 1wie s PRO 93 Ca 0.00 -0.17 -0.21 0.00 0.04 0.00 0.00 61.00 60.67 1wie s PRO 93 Cb 0.00 -1.74 0.14 0.00 0.04 0.00 0.00 34.50 32.94 1wie s PRO 93 CO 0.00 -2.94 1.06 0.45 0.04 0.00 0.00 177.00 175.61 1wie s SER 94 N -4.35 -0.42 -0.24 6.66 0.15 -1.26 -5.07 113.70 109.18 1wie s SER 94 Ca 0.71 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 1wie s SER 94 Cb -0.08 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1wie s SER 94 CO 0.54 -0.12 0.03 -1.20 1.20 0.00 0.00 173.24 173.69 1wie n SER 95 N 2.84 -6.63 0.00 5.45 7.64 -1.26 -5.33 113.62 116.33 1wie n SER 95 Ca -0.15 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1wie n SER 95 Cb 0.57 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64