#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 -3.17 -4.23 1.61 7.64 -1.26 -5.15 113.62 109.06 1wie n SER 2 Ca 0.00 0.75 -0.13 0.00 1.01 0.00 0.00 58.87 60.50 1wie n SER 2 Cb 0.00 3.06 -0.10 0.00 -1.01 0.00 0.00 64.21 66.16 1wie n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wie s SER 3 N -2.00 1.58 0.00 6.43 1.04 -1.26 -5.15 113.70 114.34 1wie s SER 3 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1wie s SER 3 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1wie s SER 3 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1wie n GLY 4 N -0.17 0.85 1.19 7.32 0.00 -1.26 -4.82 105.19 108.31 1wie n GLY 4 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -1.93 -1.32 1.61 2.88 -1.26 -4.60 113.62 109.01 1wie n SER 5 Ca 0.00 0.59 0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1wie n SER 5 Cb 0.00 2.01 -0.06 0.00 -0.75 0.00 0.00 64.21 65.42 1wie n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wie n SER 6 N -3.06 -7.56 0.00 -3.46 2.88 -1.26 -2.81 113.62 98.35 1wie n SER 6 Ca 0.00 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wie n SER 6 Cb 0.00 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1wie n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wie n GLY 7 N -3.95 -0.36 1.50 0.46 0.00 -1.26 -4.03 105.19 97.55 1wie n GLY 7 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1wie n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wie n THR 8 N -1.76 0.00 -1.32 2.61 -2.24 -1.26 -3.37 114.28 106.94 1wie n THR 8 Ca 0.00 -0.70 0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1wie n THR 8 Cb 0.00 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1wie n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wie n SER 9 N -1.76 -7.90 0.00 3.42 2.88 -1.26 -4.67 113.62 104.33 1wie n SER 9 Ca -0.01 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wie n SER 9 Cb 0.26 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.53 1wie n SER 9 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wie n LYS 10 N -4.10 0.00 -4.29 -1.46 0.00 -1.26 -4.62 118.16 102.43 1wie n LYS 10 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.11 1wie n LYS 10 Cb 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.49 1wie n LYS 10 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wie s GLN 11 N 0.00 0.63 0.65 1.64 -0.21 -1.26 -5.15 119.66 115.96 1wie s GLN 11 Ca 0.00 -0.27 -0.11 0.00 0.02 0.00 0.00 55.36 55.00 1wie s GLN 11 Cb 0.00 -0.61 -0.02 0.00 1.00 0.00 0.00 33.01 33.38 1wie s GLN 11 CO 0.00 0.16 1.05 1.03 -2.12 0.00 0.00 175.29 175.41 1wie s ARG 12 N -0.15 3.34 -1.65 2.91 0.52 -1.26 -3.84 118.95 118.82 1wie s ARG 12 Ca 0.03 0.65 -0.20 0.00 -0.52 0.00 0.00 55.73 55.69 1wie s ARG 12 Cb -0.03 -2.06 0.20 0.00 0.52 0.00 0.00 34.95 33.58 1wie s ARG 12 CO -0.00 -0.74 0.51 2.48 0.02 0.00 0.00 175.30 177.57 1wie n TYR 13 N -2.84 -1.03 -0.09 -0.53 0.18 -1.26 -4.78 117.16 106.81 1wie n TYR 13 Ca 0.06 0.61 -0.15 0.00 1.88 0.00 0.00 57.90 60.30 1wie n TYR 13 Cb 0.55 -1.67 -0.07 0.00 -0.38 0.00 0.00 39.34 37.76 1wie n TYR 13 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1wie n SER 14 N -2.09 1.85 -4.12 9.48 3.41 -1.25 -4.96 113.62 115.93 1wie n SER 14 Ca 0.09 0.50 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1wie n SER 14 Cb 0.41 -0.92 0.08 0.00 -0.26 0.00 0.00 64.21 63.51 1wie n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wie n GLY 15 N 1.50 -3.25 3.29 5.00 0.00 -1.12 -4.76 105.19 105.85 1wie n GLY 15 Ca -0.23 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 0.92 -0.53 -4.16 1.61 5.02 -1.26 -4.55 118.16 115.22 1wie n LYS 16 Ca -0.00 -0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 55.85 1wie n LYS 16 Cb 0.64 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.27 4.33 -0.53 -0.18 1.01 -1.26 -3.14 120.40 118.36 1wie s VAL 17 Ca 0.53 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1wie s VAL 17 Cb -0.16 -3.01 0.16 0.00 0.00 0.00 0.00 36.38 33.37 1wie s VAL 17 CO 0.70 0.26 0.37 -1.00 0.00 0.00 0.00 175.10 175.42 1wie s HIS 18 N -1.23 2.26 -0.08 5.22 3.76 -0.16 -4.69 115.29 120.38 1wie s HIS 18 Ca 0.24 -2.73 -0.36 0.00 -0.15 0.00 0.00 55.06 52.06 1wie s HIS 18 Cb -0.12 -1.86 -0.14 0.00 1.11 0.00 0.00 32.58 31.58 1wie s HIS 18 CO 0.16 -0.71 1.74 -0.11 -0.85 0.00 0.00 174.74 174.97 1wie n LEU 19 N 2.73 2.94 -4.42 0.89 7.94 -1.26 -3.09 117.00 122.73 1wie n LEU 19 Ca 0.20 1.03 -0.22 0.00 -1.11 0.00 0.00 56.01 55.91 1wie n LEU 19 Cb 0.39 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 42.94 1wie n LEU 19 CO 0.20 -0.29 -0.47 0.00 -1.11 0.00 0.00 177.39 175.72 1wie s VAL 21 N -2.61 1.39 0.09 0.00 0.11 0.13 -1.08 120.40 118.43 1wie s VAL 21 Ca 0.27 -1.14 -0.35 0.00 -2.93 0.00 0.00 61.98 57.84 1wie s VAL 21 Cb -0.04 -1.70 -0.19 0.00 -1.53 0.00 0.00 36.38 32.93 1wie s VAL 21 CO 0.12 -0.12 0.82 0.00 -3.33 0.00 0.00 175.10 172.59 1wie n ALA 22 N 4.72 -3.30 -0.04 1.54 0.00 -0.91 -0.68 120.51 121.84 1wie n ALA 22 Ca -0.11 0.53 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1wie n ALA 22 Cb 0.44 -1.68 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1wie n ALA 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wie n ARG 23 N 1.27 0.64 -3.73 0.00 0.63 0.30 -0.81 116.66 114.97 1wie n ARG 23 Ca 0.19 0.22 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1wie n ARG 23 Cb 0.15 -1.73 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 1wie n ARG 23 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1wie s TYR 24 N -2.59 -0.32 0.20 -0.14 2.02 -1.24 -4.64 117.35 110.64 1wie s TYR 24 Ca -0.06 0.76 -0.31 0.00 -0.37 0.00 0.00 57.07 57.10 1wie s TYR 24 Cb 0.08 0.04 -0.16 0.00 -0.40 0.00 0.00 41.96 41.52 1wie s TYR 24 CO 0.83 -0.23 0.92 0.43 -1.57 0.00 0.00 175.55 175.93 1wie n SER 25 N 4.20 0.44 -4.14 2.29 7.64 -1.26 -4.25 113.62 118.53 1wie n SER 25 Ca -0.25 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.64 1wie n SER 25 Cb 0.53 -1.13 -0.11 0.00 -1.01 0.00 0.00 64.21 62.49 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 -0.66 0.94 -0.33 1.43 5.04 -0.29 -4.88 117.35 118.61 1wie s TYR 26 Ca 0.68 -0.62 0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1wie s TYR 26 Cb -0.87 -0.53 0.15 0.00 0.35 0.00 0.00 41.96 41.06 1wie s TYR 26 CO 0.56 -0.04 0.39 -0.80 -1.34 0.00 0.00 175.55 174.32 1wie s ASN 27 N -2.17 0.82 0.38 4.32 -0.87 -1.26 -3.22 114.94 112.94 1wie s ASN 27 Ca 0.01 -0.94 0.21 0.00 -1.57 0.00 0.00 52.86 50.56 1wie s ASN 27 Cb -0.05 0.84 0.58 0.00 -0.02 0.00 0.00 41.25 42.59 1wie s ASN 27 CO -0.00 -0.31 1.68 1.55 -2.57 0.00 0.00 177.10 177.44 1wie h PRO 28 N 7.69 0.00 -0.91 -0.60 0.13 -1.86 -3.00 132.00 133.45 1wie h PRO 28 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 1wie h PRO 28 Cb 1.09 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 1wie h PRO 28 CO 0.24 0.31 0.22 1.19 -0.23 0.00 0.00 178.00 179.73 1wie n PHE 29 N -3.33 1.47 0.31 1.56 3.72 -1.26 -3.52 117.46 116.41 1wie n PHE 29 Ca 0.01 -0.91 0.05 0.00 -0.05 0.00 0.00 57.45 56.56 1wie n PHE 29 Cb 0.54 -0.51 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 1wie n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wie n ASP 30 N -0.11 1.27 -4.45 4.37 9.92 -1.13 -5.02 116.55 121.41 1wie n ASP 30 Ca 0.26 -0.46 -0.22 0.00 -0.53 0.00 0.00 54.79 53.84 1wie n ASP 30 Cb 1.00 1.21 0.00 0.00 -0.64 0.00 0.00 41.12 42.69 1wie n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wie n GLY 31 N 1.50 2.75 0.00 0.44 0.00 -1.23 -5.00 105.19 103.65 1wie n GLY 31 Ca 0.00 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.63 0.56 -1.62 1.61 -0.04 -1.26 -4.86 135.00 127.76 1wie n PRO 32 Ca -0.01 0.03 -0.65 0.00 -0.04 0.00 0.00 63.50 62.83 1wie n PRO 32 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.13 1.10 0.00 3.54 3.02 -1.26 -4.74 115.26 115.79 1wie n ASN 33 Ca 0.15 1.07 0.15 0.00 -0.03 0.00 0.00 54.58 55.92 1wie n ASN 33 Cb 0.13 -0.86 0.82 0.00 -0.61 0.00 0.00 39.78 39.25 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 4.49 0.70 -3.17 3.52 1.02 -1.26 -3.64 120.64 122.29 1wie n GLU 34 Ca 0.34 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 57.30 1wie n GLU 34 Cb -0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.13 1.06 0.08 1.62 4.05 -1.26 -4.90 115.26 114.77 1wie n ASN 35 Ca 0.18 -3.05 -0.08 0.00 0.45 0.00 0.00 54.58 52.09 1wie n ASN 35 Cb 0.16 -0.62 0.02 0.00 1.23 0.00 0.00 39.78 40.57 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 0.23 0.00 1.20 0.13 -1.81 -3.05 132.00 131.72 1wie h PRO 36 Ca 0.10 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1wie h PRO 36 Cb 0.94 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1wie h PRO 36 CO 0.52 0.92 -0.13 1.05 -0.23 0.00 0.00 178.00 180.12 1wie h GLU 37 N 0.14 0.00 0.00 0.86 4.11 -1.91 -0.51 114.58 117.28 1wie h GLU 37 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1wie h GLU 37 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1wie h GLU 37 CO 0.13 0.13 0.00 0.00 0.07 0.00 0.00 179.01 179.34 1wie h ALA 38 N 1.87 1.00 -0.78 1.06 0.00 -1.89 -3.42 119.26 117.10 1wie h ALA 38 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1wie h ALA 38 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1wie h ALA 38 CO 0.02 0.00 -0.54 -1.21 0.00 0.00 0.00 179.25 177.51 1wie s GLU 39 N -3.61 2.12 -0.04 0.00 2.02 -0.20 0.26 118.70 119.26 1wie s GLU 39 Ca -0.03 -2.31 0.06 0.00 0.02 0.00 0.00 54.97 52.71 1wie s GLU 39 Cb 0.07 -1.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.73 1wie s GLU 39 CO 0.22 -0.26 -0.21 -0.51 0.02 0.00 0.00 175.26 174.52 1wie s LEU 40 N -3.82 2.00 -1.02 1.80 1.43 -0.44 -4.45 118.68 114.18 1wie s LEU 40 Ca 0.15 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1wie s LEU 40 Cb 0.04 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1wie s LEU 40 CO 0.08 0.22 1.72 -2.16 0.23 0.00 0.00 176.35 176.43 1wie s PRO 41 N -0.20 3.12 1.07 1.29 0.04 -1.26 -4.76 135.00 134.29 1wie s PRO 41 Ca 0.00 -0.88 -0.14 0.00 0.04 0.00 0.00 61.00 60.02 1wie s PRO 41 Cb -0.11 -5.25 0.15 0.00 0.04 0.00 0.00 34.50 29.33 1wie s PRO 41 CO 0.02 -2.84 0.57 1.28 0.04 0.00 0.00 177.00 176.07 1wie n LEU 42 N 11.35 -0.67 -3.23 -3.56 4.32 -1.20 -4.71 117.00 119.31 1wie n LEU 42 Ca 0.38 0.06 -0.08 0.00 -0.02 0.00 0.00 56.01 56.35 1wie n LEU 42 Cb 0.48 -1.19 -0.04 0.00 -1.62 0.00 0.00 43.42 41.06 1wie n LEU 42 CO 0.65 -3.13 -0.02 -0.89 -1.22 0.00 0.00 177.39 172.78 1wie s THR 43 N -2.39 -0.68 0.00 -5.08 2.01 -1.26 -1.13 115.64 107.11 1wie s THR 43 Ca 0.62 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1wie s THR 43 Cb -0.20 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1wie s THR 43 CO 0.65 -0.29 0.00 0.00 -0.69 0.00 0.00 174.62 174.29 1wie n ALA 44 N 4.12 0.00 0.00 7.40 0.00 -1.26 0.24 120.51 131.01 1wie n ALA 44 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1wie n ALA 44 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 3.13 3.21 0.00 0.00 0.01 -4.89 105.19 106.65 1wie n GLY 45 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.33 -4.46 1.61 5.02 0.65 -4.61 118.16 116.03 1wie n LYS 46 Ca 0.00 -0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 1wie n LYS 46 Cb 0.00 -1.44 -0.13 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.19 1.72 0.15 2.13 2.02 -1.26 -2.14 117.35 117.77 1wie s TYR 47 Ca 0.49 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.68 1wie s TYR 47 Cb -0.16 -0.99 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1wie s TYR 47 CO 0.73 0.13 0.31 -0.48 -1.57 0.00 0.00 175.55 174.67 1wie s LEU 48 N -1.46 0.86 -0.25 -1.29 2.34 -0.24 -4.57 118.68 114.06 1wie s LEU 48 Ca 0.06 -0.68 -0.01 0.00 0.06 0.00 0.00 54.13 53.56 1wie s LEU 48 Cb -0.09 1.39 0.03 0.00 -0.56 0.00 0.00 46.19 46.96 1wie s LEU 48 CO 0.03 -0.87 -0.07 -0.31 -1.06 0.00 0.00 176.35 174.07 1wie s TYR 49 N -3.90 3.09 -0.25 3.48 2.02 -0.63 -0.22 117.35 120.95 1wie s TYR 49 Ca 0.11 -1.68 -0.08 0.00 -0.37 0.00 0.00 57.07 55.05 1wie s TYR 49 Cb 0.03 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1wie s TYR 49 CO -0.05 -0.76 0.10 0.54 -1.57 0.00 0.00 175.55 173.81 1wie s VAL 50 N 1.29 4.63 0.09 0.71 0.11 -1.18 0.20 120.40 126.25 1wie s VAL 50 Ca -0.01 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1wie s VAL 50 Cb -0.17 -3.17 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 1wie s VAL 50 CO -0.05 0.33 0.41 -0.31 -3.33 0.00 0.00 175.10 172.15 1wie s TYR 51 N 1.47 3.57 0.16 1.54 1.51 -1.12 -0.98 117.35 123.51 1wie s TYR 51 Ca 0.06 0.78 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 1wie s TYR 51 Cb -0.15 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1wie s TYR 51 CO 0.05 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 1wie n GLY 52 N 0.84 -1.92 0.00 0.71 0.00 -1.19 -4.36 105.19 99.28 1wie n GLY 52 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.66 0.00 -4.77 1.61 -0.08 -1.26 -4.90 116.55 104.49 1wie n ASP 53 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1wie n ASP 53 Cb 0.32 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.80 1wie n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wie s MET 54 N 0.16 3.20 0.97 -0.67 0.23 -1.26 -4.65 119.30 117.28 1wie s MET 54 Ca 0.00 1.65 -0.14 0.00 -1.03 0.00 0.00 55.69 56.17 1wie s MET 54 Cb 0.00 -1.98 0.17 0.00 -1.53 0.00 0.00 34.83 31.50 1wie s MET 54 CO 0.00 -0.98 1.18 0.34 -2.03 0.00 0.00 175.02 173.52 1wie s ASP 55 N -1.80 3.02 0.46 -1.18 2.15 0.41 -4.73 116.67 115.00 1wie s ASP 55 Ca 0.73 0.74 0.26 0.00 0.43 0.00 0.00 52.55 54.72 1wie s ASP 55 Cb -0.25 -1.13 1.31 0.00 -0.30 0.00 0.00 42.92 42.54 1wie s ASP 55 CO 0.30 -2.84 1.78 1.05 -0.17 0.00 0.00 175.17 175.29 1wie h GLU 56 N -1.70 0.21 0.00 4.34 4.11 -1.96 1.02 114.58 120.60 1wie h GLU 56 Ca -0.48 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.86 1wie h GLU 56 Cb 1.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1wie h GLU 56 CO 0.52 0.14 -1.51 -0.25 0.07 0.00 0.00 179.01 177.98 1wie n ASP 57 N -4.45 0.55 0.00 3.06 8.00 -1.26 -4.97 116.55 117.48 1wie n ASP 57 Ca 0.26 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1wie n ASP 57 Cb 1.06 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 1wie n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wie n GLY 58 N 1.31 1.17 3.44 0.44 0.00 0.35 -5.11 105.19 106.80 1wie n GLY 58 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1wie n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wie n PHE 59 N 0.00 -1.07 -4.04 1.61 3.72 -1.26 -3.07 117.46 113.35 1wie n PHE 59 Ca 0.00 0.32 -0.35 0.00 -0.05 0.00 0.00 57.45 57.37 1wie n PHE 59 Cb 0.00 -1.87 -0.11 0.00 -0.94 0.00 0.00 39.48 36.55 1wie n PHE 59 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wie s TYR 60 N -2.02 3.13 -0.67 1.38 2.02 0.47 0.15 117.35 121.82 1wie s TYR 60 Ca 0.63 -0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 57.04 1wie s TYR 60 Cb -0.32 -2.09 -0.09 0.00 -0.40 0.00 0.00 41.96 39.06 1wie s TYR 60 CO 0.61 -0.06 1.84 0.39 -1.57 0.00 0.00 175.55 176.76 1wie n GLU 61 N 3.97 1.45 -1.72 -0.62 1.02 -1.26 -0.03 120.64 123.45 1wie n GLU 61 Ca -0.17 -1.35 -0.34 0.00 -0.02 0.00 0.00 57.16 55.28 1wie n GLU 61 Cb 0.52 -2.48 0.06 0.00 -0.02 0.00 0.00 31.44 29.51 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 4.28 2.37 -0.18 0.62 0.00 -0.87 -2.80 107.32 110.74 1wie s GLY 62 Ca 0.38 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1wie s GLY 62 CO 0.03 1.16 -0.10 1.85 0.00 0.00 0.00 173.10 176.04 1wie s GLU 63 N -3.82 1.98 0.20 2.90 -6.30 0.54 -2.32 118.70 111.88 1wie s GLU 63 Ca 0.72 -0.71 -0.03 0.00 -2.50 0.00 0.00 54.97 52.45 1wie s GLU 63 Cb -0.26 -2.26 0.05 0.00 0.00 0.00 0.00 34.13 31.66 1wie s GLU 63 CO 0.40 -0.38 0.10 1.28 0.02 0.00 0.00 175.26 176.68 1wie n LEU 64 N 4.74 0.00 -0.21 2.70 4.77 0.19 -1.60 117.00 127.59 1wie n LEU 64 Ca -0.15 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1wie n LEU 64 Cb 0.48 -0.14 0.17 0.00 -2.33 0.00 0.00 43.42 41.60 1wie n LEU 64 CO 0.20 -1.58 0.40 0.18 -1.33 0.00 0.00 177.39 175.26 1wie n LEU 65 N 0.00 1.16 -0.33 2.23 4.77 -1.26 -3.67 117.00 119.89 1wie n LEU 65 Ca 0.02 -0.37 0.10 0.00 -0.03 0.00 0.00 56.01 55.72 1wie n LEU 65 Cb 0.07 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1wie n LEU 65 CO 0.05 0.23 0.20 -0.67 -1.33 0.00 0.00 177.39 175.87 1wie n ASP 66 N -0.82 1.63 0.00 -1.43 2.03 -1.26 -4.93 116.55 111.77 1wie n ASP 66 Ca 0.09 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1wie n ASP 66 Cb 0.37 0.62 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 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 1.36 0.86 3.66 0.27 0.00 -1.24 -5.05 105.19 105.05 1wie n GLY 67 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.77 4.17 -0.51 1.61 0.74 -1.26 -4.73 119.66 118.91 1wie s GLN 68 Ca 0.00 2.35 -0.09 0.00 0.05 0.00 0.00 55.36 57.68 1wie s GLN 68 Cb 0.00 -4.02 0.13 0.00 1.10 0.00 0.00 33.01 30.22 1wie s GLN 68 CO 0.00 -0.88 0.37 1.03 -0.55 0.00 0.00 175.29 175.27 1wie s ARG 69 N 4.09 2.53 0.19 1.67 0.52 -1.26 0.57 118.95 127.25 1wie s ARG 69 Ca 0.79 -1.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1wie s ARG 69 Cb -0.37 -3.92 -0.05 0.00 0.52 0.00 0.00 34.95 31.13 1wie s ARG 69 CO 0.34 -1.19 0.03 0.20 0.02 0.00 0.00 175.30 174.70 1wie s GLY 70 N 2.41 1.30 0.93 -3.53 0.00 -0.98 -4.91 107.32 102.54 1wie s GLY 70 Ca 0.08 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 1wie s GLY 70 CO -0.02 -1.52 1.10 1.08 0.00 0.00 0.00 173.10 173.75 1wie s LEU 71 N -3.18 2.39 -0.24 0.66 1.43 0.74 -2.06 118.68 118.42 1wie s LEU 71 Ca 0.27 1.87 -0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1wie s LEU 71 Cb 0.07 -4.23 0.10 0.00 0.03 0.00 0.00 46.19 42.16 1wie s LEU 71 CO 0.06 -3.04 0.53 -0.69 0.23 0.00 0.00 176.35 173.44 1wie s VAL 72 N -2.71 -0.60 0.05 -1.59 1.01 0.96 -1.33 120.40 116.19 1wie s VAL 72 Ca 0.65 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1wie s VAL 72 Cb -0.21 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1wie s VAL 72 CO 0.59 0.03 1.17 -2.16 0.00 0.00 0.00 175.10 174.73 1wie s PRO 73 N 2.41 4.45 0.00 2.72 0.04 -1.26 0.18 135.00 143.53 1wie s PRO 73 Ca -0.05 1.72 0.14 0.00 0.04 0.00 0.00 61.00 62.84 1wie s PRO 73 Cb -0.11 -3.37 0.65 0.00 0.04 0.00 0.00 34.50 31.71 1wie s PRO 73 CO -0.16 -0.24 1.39 0.45 0.04 0.00 0.00 177.00 178.49 1wie n SER 74 N 3.98 0.00 -0.39 6.66 2.88 -1.26 -0.99 113.62 124.50 1wie n SER 74 Ca 0.09 0.25 0.14 0.00 -1.33 0.00 0.00 58.87 58.01 1wie n SER 74 Cb 0.47 -0.37 0.48 0.00 -0.75 0.00 0.00 64.21 64.04 1wie n SER 74 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wie n ASN 75 N -1.37 1.31 -0.05 -3.46 5.15 -1.26 -3.67 115.26 111.91 1wie n ASN 75 Ca 0.05 -1.28 0.01 0.00 -0.60 0.00 0.00 54.58 52.76 1wie n ASN 75 Cb 0.13 0.04 0.01 0.00 -0.53 0.00 0.00 39.78 39.43 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wie n PHE 76 N -0.13 0.00 -4.26 1.20 3.01 -0.16 -4.89 117.46 112.23 1wie n PHE 76 Ca 0.17 -0.24 -0.20 0.00 1.01 0.00 0.00 57.45 58.18 1wie n PHE 76 Cb 0.35 -0.03 -0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.55 1.49 -0.22 -4.37 -7.23 -1.03 0.11 120.40 108.61 1wie s VAL 77 Ca 0.02 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1wie s VAL 77 Cb 0.02 -1.56 0.07 0.00 0.56 0.00 0.00 36.38 35.47 1wie s VAL 77 CO 0.00 -0.30 0.06 -0.62 -0.31 0.00 0.00 175.10 173.93 1wie s ASP 78 N -2.32 3.11 -0.39 4.85 2.15 0.14 -4.70 116.67 119.51 1wie s ASP 78 Ca 0.09 -0.98 -0.38 0.00 0.43 0.00 0.00 52.55 51.70 1wie s ASP 78 Cb -0.07 -0.58 -0.14 0.00 -0.30 0.00 0.00 42.92 41.84 1wie s ASP 78 CO 0.04 -0.34 2.17 0.49 -0.17 0.00 0.00 175.17 177.36 1wie n PHE 79 N 5.06 1.47 -3.25 -5.34 3.01 -1.26 0.21 117.46 117.37 1wie n PHE 79 Ca -0.07 0.43 -0.20 0.00 1.01 0.00 0.00 57.45 58.62 1wie n PHE 79 Cb 0.46 -2.46 0.00 0.00 -0.01 0.00 0.00 39.48 37.48 1wie n PHE 79 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1wie s VAL 80 N 6.86 3.89 0.00 -4.37 0.11 0.28 -4.87 120.40 122.31 1wie s VAL 80 Ca 1.13 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1wie s VAL 80 Cb -1.05 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 1wie s VAL 80 CO 0.54 -0.18 0.00 0.00 -3.33 0.00 0.00 175.10 172.13 1wie n GLN 81 N -1.82 0.35 0.00 1.54 1.13 -1.26 -4.56 117.38 112.75 1wie n GLN 81 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1wie n GLN 81 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.93 1wie n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wie n ASP 82 N 0.00 0.00 -3.62 1.08 -0.08 -1.26 -4.21 116.55 108.45 1wie n ASP 82 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1wie n ASP 82 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 3.24 -0.00 1.67 0.01 -1.26 -4.99 114.94 113.61 1wie s ASN 83 Ca 0.00 -2.73 -0.23 0.00 -0.71 0.00 0.00 52.86 49.20 1wie s ASN 83 Cb 0.00 -0.86 -0.13 0.00 0.41 0.00 0.00 41.25 40.68 1wie s ASN 83 CO 0.00 -0.24 0.95 -0.33 -1.51 0.00 0.00 177.10 175.97 1wie h GLU 84 N 6.48 -0.76 0.00 -0.60 3.07 -1.88 -3.44 114.58 117.45 1wie h GLU 84 Ca 0.07 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1wie h GLU 84 Cb 0.92 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1wie h GLU 84 CO 0.44 -0.49 0.00 0.45 -1.40 0.00 0.00 179.01 178.01 1wie n SER 85 N -5.30 0.00 0.05 1.42 2.88 -1.26 -4.20 113.62 107.20 1wie n SER 85 Ca -0.10 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.65 1wie n SER 85 Cb 0.32 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.00 0.00 -7.05 -1.46 -0.00 -1.99 -3.41 114.38 100.47 1wie h ARG 86 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 59.98 59.54 1wie h ARG 86 Cb 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 29.97 30.19 1wie h ARG 86 CO 0.00 0.00 -0.18 1.28 -0.00 0.00 0.00 179.97 181.07 1wie n LEU 87 N -3.41 -1.60 -4.44 0.08 4.32 -1.26 -5.05 117.00 105.65 1wie n LEU 87 Ca 0.10 -0.16 -0.22 0.00 -0.02 0.00 0.00 56.01 55.71 1wie n LEU 87 Cb 0.87 -1.21 -0.09 0.00 -1.62 0.00 0.00 43.42 41.37 1wie n LEU 87 CO 0.23 -3.28 -0.22 0.00 -1.22 0.00 0.00 177.39 172.90 1wie s ALA 88 N -2.38 2.44 0.80 -1.18 0.00 -1.26 -5.11 121.76 115.07 1wie s ALA 88 Ca 0.67 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1wie s ALA 88 Cb -0.24 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.83 1wie s ALA 88 CO 0.65 -0.38 1.15 0.45 0.00 0.00 0.00 175.76 177.64 1wie s SER 89 N -3.49 4.39 -0.29 0.00 0.15 -1.26 -4.73 113.70 108.46 1wie s SER 89 Ca 0.31 0.61 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 1wie s SER 89 Cb 0.05 -1.08 0.16 0.00 -1.71 0.00 0.00 66.02 63.45 1wie s SER 89 CO 0.15 -1.94 1.26 0.28 1.20 0.00 0.00 173.24 174.19 1wie s THR 90 N -3.53 0.00 0.87 6.45 -1.32 -1.26 -4.99 115.64 111.86 1wie s THR 90 Ca 0.63 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 1wie s THR 90 Cb -0.10 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.00 1wie s THR 90 CO 0.48 0.00 1.10 -0.55 -2.21 0.00 0.00 174.62 173.44 1wie s SER 91 N 0.21 3.62 -0.30 8.08 0.15 -1.26 -4.91 113.70 119.30 1wie s SER 91 Ca 0.04 1.73 -0.14 0.00 0.70 0.00 0.00 55.95 58.28 1wie s SER 91 Cb -0.05 -2.38 0.18 0.00 -1.71 0.00 0.00 66.02 62.07 1wie s SER 91 CO -0.12 -2.58 1.15 -0.83 1.20 0.00 0.00 173.24 172.06 1wie s GLY 92 N -3.23 -1.15 1.10 9.45 0.00 -1.26 -5.01 107.32 107.21 1wie s GLY 92 Ca 0.63 2.02 -0.18 0.00 0.00 0.00 0.00 44.72 47.19 1wie s GLY 92 CO 0.57 4.31 1.23 2.56 0.00 0.00 0.00 173.10 181.77 1wie s PRO 93 N 2.58 -0.41 -0.00 2.90 0.04 -1.26 -5.10 135.00 133.74 1wie s PRO 93 Ca 0.25 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1wie s PRO 93 Cb 0.02 -1.71 0.10 0.00 0.04 0.00 0.00 34.50 32.95 1wie s PRO 93 CO -0.20 -3.14 0.94 -1.12 0.04 0.00 0.00 177.00 173.53 1wie s SER 94 N -4.45 -0.31 0.06 6.66 0.01 -1.26 -5.11 113.70 109.31 1wie s SER 94 Ca 0.73 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1wie s SER 94 Cb -0.06 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wie s SER 94 CO 0.55 -0.61 0.00 -1.20 0.41 0.00 0.00 173.24 172.38 1wie n SER 95 N -0.27 -9.56 0.00 2.44 7.64 -1.26 -5.38 113.62 107.24 1wie n SER 95 Ca -0.07 1.79 0.00 0.00 1.01 0.00 0.00 58.87 61.60 1wie n SER 95 Cb 0.61 -5.26 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64