#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 -2.87 1.61 7.64 -1.26 -4.77 113.62 113.97 1wie n SER 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wie n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wie n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wie n SER 3 N 2.60 -6.71 0.00 6.43 2.88 -1.26 -5.04 113.62 112.52 1wie n SER 3 Ca 0.00 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1wie n SER 3 Cb 0.00 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 1wie n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wie n GLY 4 N 1.11 -0.11 2.54 0.46 0.00 -1.26 -5.13 105.19 102.81 1wie n GLY 4 Ca -0.05 0.71 -0.27 0.00 0.00 0.00 0.00 46.02 46.42 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 2.88 0.89 1.61 0.15 -1.26 -5.13 113.70 112.84 1wie s SER 5 Ca 0.00 -1.71 -0.14 0.00 0.70 0.00 0.00 55.95 54.80 1wie s SER 5 Cb 0.00 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1wie s SER 5 CO 0.00 -0.36 0.30 -1.20 1.20 0.00 0.00 173.24 173.18 1wie n SER 6 N 4.58 -2.30 0.00 5.45 7.64 -1.26 -3.89 113.62 123.84 1wie n SER 6 Ca 0.05 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1wie n SER 6 Cb 0.40 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.77 2.18 3.56 0.23 0.00 -1.26 -4.98 105.19 106.70 1wie n GLY 7 Ca 0.07 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.56 0.07 2.61 -4.23 -1.25 -4.95 115.64 111.45 1wie s THR 8 Ca 0.00 0.36 -0.31 0.00 -1.18 0.00 0.00 61.69 60.57 1wie s THR 8 Cb 0.00 -4.36 -0.09 0.00 1.34 0.00 0.00 72.50 69.40 1wie s THR 8 CO 0.00 -1.27 1.72 -0.94 -0.54 0.00 0.00 174.62 173.59 1wie s SER 9 N 5.90 6.55 -0.13 3.99 1.04 -1.26 -4.90 113.70 124.89 1wie s SER 9 Ca 0.54 2.56 -0.11 0.00 0.48 0.00 0.00 55.95 59.41 1wie s SER 9 Cb -0.11 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1wie s SER 9 CO 0.20 -0.93 -0.21 0.29 0.98 0.00 0.00 173.24 173.56 1wie n LYS 10 N 5.83 0.39 -2.92 4.02 5.02 -1.26 -5.05 118.16 124.18 1wie n LYS 10 Ca 0.17 0.30 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1wie n LYS 10 Cb 0.40 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1wie n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1wie n GLN 11 N -4.07 1.28 -0.17 1.97 6.02 -1.26 -5.06 117.38 116.10 1wie n GLN 11 Ca -0.09 -1.65 0.06 0.00 -0.01 0.00 0.00 57.00 55.31 1wie n GLN 11 Cb 0.32 0.32 0.08 0.00 1.02 0.00 0.00 30.24 31.98 1wie n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wie n ARG 12 N -0.83 1.08 -1.73 -1.09 5.12 -1.26 -4.72 116.66 113.23 1wie n ARG 12 Ca -0.06 -1.96 -0.04 0.00 -1.93 0.00 0.00 57.85 53.87 1wie n ARG 12 Cb 0.29 -1.14 0.03 0.00 -1.16 0.00 0.00 32.46 30.48 1wie n ARG 12 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1wie n TYR 13 N -0.90 -0.90 -2.01 -1.55 4.11 -1.26 -4.93 117.16 109.72 1wie n TYR 13 Ca 0.09 -0.94 -0.00 0.00 -0.00 0.00 0.00 57.90 57.06 1wie n TYR 13 Cb 0.61 0.95 -0.00 0.00 -0.00 0.00 0.00 39.34 40.89 1wie n TYR 13 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1wie n SER 14 N -0.68 0.00 -2.33 9.48 7.64 -1.26 -5.12 113.62 121.36 1wie n SER 14 Ca -0.18 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1wie n SER 14 Cb 0.72 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.01 -1.05 3.76 0.23 0.00 -1.26 -4.97 105.19 101.90 1wie n GLY 15 Ca -0.00 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1wie n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wie s LYS 16 N -2.06 2.39 0.28 1.61 2.20 -1.26 -4.76 119.74 118.14 1wie s LYS 16 Ca 0.00 1.27 0.07 0.00 -0.36 0.00 0.00 55.97 56.95 1wie s LYS 16 Cb 0.00 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1wie s LYS 16 CO 0.00 -1.55 0.23 0.08 -0.36 0.00 0.00 175.35 173.75 1wie s VAL 17 N -2.69 4.21 -0.19 4.02 1.01 -1.26 -1.81 120.40 123.70 1wie s VAL 17 Ca 0.64 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1wie s VAL 17 Cb -0.19 -3.36 0.09 0.00 0.00 0.00 0.00 36.38 32.93 1wie s VAL 17 CO 0.51 -0.30 0.28 -1.00 0.00 0.00 0.00 175.10 174.59 1wie s HIS 18 N -2.18 -0.47 -0.21 5.22 0.09 -0.64 -4.89 115.29 112.22 1wie s HIS 18 Ca 0.35 0.64 -0.29 0.00 -0.00 0.00 0.00 55.06 55.76 1wie s HIS 18 Cb -0.07 -0.15 -0.00 0.00 -0.00 0.00 0.00 32.58 32.35 1wie s HIS 18 CO 0.26 -0.55 1.20 -1.17 -0.00 0.00 0.00 174.74 174.47 1wie s LEU 19 N 2.42 4.11 0.10 0.89 2.96 -1.26 0.02 118.68 127.93 1wie s LEU 19 Ca 0.06 1.52 0.09 0.00 -0.22 0.00 0.00 54.13 55.59 1wie s LEU 19 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1wie s LEU 19 CO -0.12 -0.78 -0.24 0.00 -1.32 0.00 0.00 176.35 173.90 1wie s VAL 21 N -1.05 2.37 0.25 0.00 0.11 0.12 0.85 120.40 123.05 1wie s VAL 21 Ca 0.10 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 58.01 1wie s VAL 21 Cb -0.10 -2.02 -0.14 0.00 -1.53 0.00 0.00 36.38 32.59 1wie s VAL 21 CO 0.04 0.51 1.18 0.00 -3.33 0.00 0.00 175.10 173.51 1wie n ALA 22 N 4.62 0.11 -0.04 1.54 0.00 0.22 0.99 120.51 127.95 1wie n ALA 22 Ca -0.20 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 1wie n ALA 22 Cb 0.50 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 17.70 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 1.32 0.66 -3.72 0.00 0.63 0.51 -0.64 116.66 115.42 1wie n ARG 23 Ca 0.11 0.20 -0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1wie n ARG 23 Cb 0.30 -1.70 -0.12 0.00 0.45 0.00 0.00 32.46 31.39 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 -2.56 -0.42 -0.20 -0.14 2.02 -1.24 -4.65 117.35 110.17 1wie s TYR 24 Ca -0.10 0.95 -0.41 0.00 -0.37 0.00 0.00 57.07 57.14 1wie s TYR 24 Cb 0.07 0.12 -0.17 0.00 -0.40 0.00 0.00 41.96 41.58 1wie s TYR 24 CO 0.81 -0.27 1.53 0.43 -1.57 0.00 0.00 175.55 176.49 1wie n SER 25 N 4.17 1.67 -4.47 2.29 7.64 -1.26 -4.24 113.62 119.41 1wie n SER 25 Ca -0.24 1.12 -0.28 0.00 1.01 0.00 0.00 58.87 60.48 1wie n SER 25 Cb 0.54 -1.07 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 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 2.26 2.43 -0.31 1.43 5.04 -1.08 -4.88 117.35 122.24 1wie s TYR 26 Ca 0.95 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 1wie s TYR 26 Cb -1.15 -1.23 0.14 0.00 0.35 0.00 0.00 41.96 40.07 1wie s TYR 26 CO 0.63 0.47 0.32 -0.80 -1.34 0.00 0.00 175.55 174.83 1wie s ASN 27 N -2.55 1.54 0.45 4.32 -0.87 -1.26 -3.06 114.94 113.50 1wie s ASN 27 Ca 0.21 -0.96 0.28 0.00 -1.57 0.00 0.00 52.86 50.82 1wie s ASN 27 Cb -0.09 0.53 0.87 0.00 -0.02 0.00 0.00 41.25 42.54 1wie s ASN 27 CO 0.11 -0.36 1.79 1.55 -2.57 0.00 0.00 177.10 177.62 1wie h PRO 28 N 7.97 0.00 -1.01 -0.60 0.13 -1.86 -3.01 132.00 133.62 1wie h PRO 28 Ca -0.09 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.59 1wie h PRO 28 Cb 1.07 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 1wie h PRO 28 CO 0.30 0.00 0.58 1.19 -0.23 0.00 0.00 178.00 179.84 1wie n PHE 29 N -2.94 2.69 -0.06 1.56 3.72 -1.26 -3.99 117.46 117.18 1wie n PHE 29 Ca 0.03 -1.73 -0.06 0.00 -0.05 0.00 0.00 57.45 55.64 1wie n PHE 29 Cb 0.40 -0.88 -0.09 0.00 -0.94 0.00 0.00 39.48 37.97 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 -0.92 2.14 -4.22 4.37 -0.08 -1.14 -5.03 116.55 111.68 1wie n ASP 30 Ca 0.52 -0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.64 1wie n ASP 30 Cb 1.48 0.78 0.06 0.00 2.34 0.00 0.00 41.12 45.79 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 2.29 1.63 0.00 0.27 0.00 -1.26 -4.97 105.19 103.15 1wie n GLY 31 Ca -0.19 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.11 0.75 -1.38 1.61 -0.04 -1.26 -4.87 135.00 127.71 1wie n PRO 32 Ca 0.13 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 63.03 1wie n PRO 32 Cb 0.47 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.93 0.00 3.54 3.02 -1.26 -4.73 115.26 115.80 1wie n ASN 33 Ca 0.17 0.90 0.13 0.00 -0.03 0.00 0.00 54.58 55.75 1wie n ASN 33 Cb 0.08 -0.76 0.75 0.00 -0.61 0.00 0.00 39.78 39.24 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 4.21 0.65 -3.16 3.52 1.02 -1.26 -3.53 120.64 122.09 1wie n GLU 34 Ca 0.32 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.28 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 -1.12 1.30 0.01 1.62 4.05 -1.26 -4.91 115.26 114.94 1wie n ASN 35 Ca 0.17 -3.08 -0.18 0.00 0.45 0.00 0.00 54.58 51.93 1wie n ASN 35 Cb 0.14 -0.61 -0.10 0.00 1.23 0.00 0.00 39.78 40.44 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 3.07 0.64 0.00 1.20 0.13 -1.78 -3.10 132.00 132.16 1wie h PRO 36 Ca 0.10 -0.62 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1wie h PRO 36 Cb 0.90 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1wie h PRO 36 CO 0.54 1.23 -0.02 1.05 -0.23 0.00 0.00 178.00 180.57 1wie h GLU 37 N 0.28 0.00 -0.17 0.86 4.11 -1.91 -1.91 114.58 115.84 1wie h GLU 37 Ca -0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1wie h GLU 37 Cb 1.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1wie h GLU 37 CO 0.16 0.02 0.06 0.00 0.07 0.00 0.00 179.01 179.32 1wie h ALA 38 N 1.98 0.19 -3.80 1.06 0.00 -1.90 -3.44 119.26 113.35 1wie h ALA 38 Ca -0.00 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1wie h ALA 38 Cb 0.06 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.92 1wie h ALA 38 CO 0.00 -0.37 0.16 0.39 0.00 0.00 0.00 179.25 179.43 1wie n GLU 39 N -5.05 -0.35 -4.43 0.00 1.02 -0.72 0.24 120.64 111.36 1wie n GLU 39 Ca -0.03 -1.12 -0.21 0.00 -0.02 0.00 0.00 57.16 55.78 1wie n GLU 39 Cb 0.06 -0.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 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 1.82 -0.91 -4.62 1.43 -0.03 -4.32 118.68 112.05 1wie s LEU 40 Ca 0.36 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 53.02 1wie s LEU 40 Cb -0.01 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1wie s LEU 40 CO 0.25 0.08 1.67 -2.16 0.23 0.00 0.00 176.35 176.41 1wie s PRO 41 N 0.14 3.05 1.42 1.29 0.04 -1.26 -4.74 135.00 134.95 1wie s PRO 41 Ca -0.02 -0.55 -0.22 0.00 0.04 0.00 0.00 61.00 60.24 1wie s PRO 41 Cb -0.08 -5.05 0.37 0.00 0.04 0.00 0.00 34.50 29.78 1wie s PRO 41 CO 0.00 -2.72 0.92 -0.51 0.04 0.00 0.00 177.00 174.74 1wie s LEU 42 N 7.45 -1.08 -0.41 -3.56 2.01 -1.17 -4.78 118.68 117.14 1wie s LEU 42 Ca 0.56 0.94 0.07 0.00 0.01 0.00 0.00 54.13 55.72 1wie s LEU 42 Cb -0.05 -2.39 0.18 0.00 0.01 0.00 0.00 46.19 43.94 1wie s LEU 42 CO -0.01 -5.38 0.65 -0.89 1.01 0.00 0.00 176.35 171.73 1wie s THR 43 N -2.23 -0.96 0.00 5.49 2.01 -1.26 -2.63 115.64 116.06 1wie s THR 43 Ca 0.68 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1wie s THR 43 Cb -0.15 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.36 1wie s THR 43 CO 0.59 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.52 1wie n ALA 44 N 4.36 0.00 0.00 7.40 0.00 -1.26 0.22 120.51 131.23 1wie n ALA 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1wie n ALA 44 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 3.09 3.41 0.00 0.00 0.18 -4.87 105.19 107.00 1wie n GLY 45 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.22 -4.41 1.61 5.02 0.61 -4.57 118.16 116.20 1wie n LYS 46 Ca 0.00 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1wie n LYS 46 Cb 0.00 -1.83 -0.13 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 -2.33 1.94 0.16 2.13 2.02 -1.26 -0.61 117.35 119.40 1wie s TYR 47 Ca 0.57 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.82 1wie s TYR 47 Cb -0.22 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1wie s TYR 47 CO 0.67 0.21 0.20 -0.48 -1.57 0.00 0.00 175.55 174.57 1wie s LEU 48 N -1.76 1.25 -0.17 -1.29 2.34 0.25 -4.26 118.68 115.04 1wie s LEU 48 Ca 0.09 -1.03 0.01 0.00 0.06 0.00 0.00 54.13 53.25 1wie s LEU 48 Cb -0.10 0.83 0.01 0.00 -0.56 0.00 0.00 46.19 46.37 1wie s LEU 48 CO 0.04 -0.84 -0.19 -0.31 -1.06 0.00 0.00 176.35 174.00 1wie s TYR 49 N -4.01 2.76 -0.37 3.48 2.02 -1.22 0.87 117.35 120.89 1wie s TYR 49 Ca 0.21 -1.42 -0.15 0.00 -0.37 0.00 0.00 57.07 55.35 1wie s TYR 49 Cb 0.05 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1wie s TYR 49 CO 0.02 -0.69 0.33 0.08 -1.57 0.00 0.00 175.55 173.72 1wie s VAL 50 N 1.10 5.20 -0.69 0.71 1.01 0.10 0.20 120.40 128.04 1wie s VAL 50 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1wie s VAL 50 Cb -0.14 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1wie s VAL 50 CO -0.07 -0.16 0.94 -0.31 0.00 0.00 0.00 175.10 175.50 1wie s TYR 51 N 1.89 2.80 0.00 5.22 1.51 -1.20 -1.61 117.35 125.96 1wie s TYR 51 Ca 0.09 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 1wie s TYR 51 Cb -0.17 -4.24 0.00 0.00 -0.11 0.00 0.00 41.96 37.43 1wie s TYR 51 CO 0.11 -1.56 0.00 0.41 -1.11 0.00 0.00 175.55 173.40 1wie n GLY 52 N 5.35 -0.80 1.01 0.71 0.00 -0.75 -4.79 105.19 105.91 1wie n GLY 52 Ca -0.01 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 0.43 -4.37 1.61 -0.08 -1.26 -4.93 116.55 107.96 1wie n ASP 53 Ca 0.00 -1.34 -0.34 0.00 -1.51 0.00 0.00 54.79 51.60 1wie n ASP 53 Cb 0.00 -0.14 0.09 0.00 2.34 0.00 0.00 41.12 43.41 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 -1.42 -0.08 -2.71 -0.67 0.00 -1.26 -4.75 117.12 106.23 1wie n MET 54 Ca 0.04 0.01 -0.21 0.00 0.00 0.00 0.00 57.70 57.55 1wie n MET 54 Cb 0.15 -1.71 0.05 0.00 0.00 0.00 0.00 33.22 31.71 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 -1.70 5.12 0.57 3.17 2.15 0.10 -4.87 116.67 121.20 1wie s ASP 55 Ca 0.57 -0.21 0.26 0.00 0.43 0.00 0.00 52.55 53.60 1wie s ASP 55 Cb -0.25 -0.57 1.56 0.00 -0.30 0.00 0.00 42.92 43.36 1wie s ASP 55 CO 0.67 -1.26 2.11 1.05 -0.17 0.00 0.00 175.17 177.57 1wie h GLU 56 N 0.03 0.00 0.00 4.34 4.11 -1.94 0.49 114.58 121.60 1wie h GLU 56 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1wie h GLU 56 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1wie h GLU 56 CO 0.48 0.00 -0.85 -0.44 0.07 0.00 0.00 179.01 178.27 1wie h ASP 57 N 0.00 0.00 0.00 3.06 3.32 -2.02 -3.47 116.42 117.30 1wie h ASP 57 Ca 0.09 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wie h ASP 57 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1wie h ASP 57 CO -0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1wie n GLY 58 N 1.25 1.63 3.79 2.75 0.00 0.17 -5.11 105.19 109.67 1wie n GLY 58 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 2.69 -0.18 1.61 0.40 -1.26 -4.61 117.98 114.63 1wie s PHE 59 Ca 0.00 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1wie s PHE 59 Cb 0.00 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1wie s PHE 59 CO 0.00 0.13 -0.06 0.71 0.70 0.00 0.00 175.22 176.70 1wie s TYR 60 N -2.48 2.95 -1.27 0.36 2.02 0.53 0.00 117.35 119.46 1wie s TYR 60 Ca 0.42 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 1wie s TYR 60 Cb -0.01 -2.00 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 1wie s TYR 60 CO 0.25 -0.28 2.44 0.39 -1.57 0.00 0.00 175.55 176.77 1wie n GLU 61 N 4.07 2.77 -1.76 -0.62 1.02 -1.26 0.16 120.64 125.03 1wie n GLU 61 Ca -0.18 -1.98 -0.37 0.00 -0.02 0.00 0.00 57.16 54.61 1wie n GLU 61 Cb 0.52 -2.78 0.07 0.00 -0.02 0.00 0.00 31.44 29.22 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 3.09 2.85 -0.51 0.62 0.00 -0.61 -3.21 107.32 109.55 1wie s GLY 62 Ca 0.55 1.20 0.02 0.00 0.00 0.00 0.00 44.72 46.49 1wie s GLY 62 CO -0.03 1.63 0.26 1.85 0.00 0.00 0.00 173.10 176.80 1wie s GLU 63 N -3.38 2.02 0.46 2.90 2.12 0.53 -2.46 118.70 120.89 1wie s GLU 63 Ca 0.82 -2.44 -0.19 0.00 0.36 0.00 0.00 54.97 53.53 1wie s GLU 63 Cb -0.37 -3.40 -0.15 0.00 0.26 0.00 0.00 34.13 30.47 1wie s GLU 63 CO 0.39 -1.09 -0.05 1.28 -0.54 0.00 0.00 175.26 175.25 1wie n LEU 64 N 3.46 -3.36 0.22 2.70 4.32 0.19 -3.39 117.00 121.14 1wie n LEU 64 Ca 0.05 0.70 0.18 0.00 -0.02 0.00 0.00 56.01 56.92 1wie n LEU 64 Cb 0.35 -0.85 0.85 0.00 -1.62 0.00 0.00 43.42 42.16 1wie n LEU 64 CO 0.32 -4.54 1.15 -0.07 -1.22 0.00 0.00 177.39 173.03 1wie h LEU 65 N 0.10 0.00 -0.37 2.23 3.38 -1.89 1.09 115.31 119.85 1wie h LEU 65 Ca -0.39 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1wie h LEU 65 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1wie h LEU 65 CO 0.43 0.00 -0.24 0.44 0.09 0.00 0.00 178.44 179.16 1wie h ASP 66 N 0.00 0.00 0.00 -0.43 3.32 -1.96 -3.46 116.42 113.89 1wie h ASP 66 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1wie h ASP 66 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1wie h ASP 66 CO -0.00 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 1wie n GLY 67 N 0.84 0.98 3.68 2.75 0.00 0.38 -5.08 105.19 108.74 1wie n GLY 67 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 4.17 -0.32 1.61 0.74 -1.22 -4.67 119.66 119.74 1wie s GLN 68 Ca 0.00 2.42 -0.06 0.00 0.05 0.00 0.00 55.36 57.77 1wie s GLN 68 Cb 0.00 -3.68 0.03 0.00 1.10 0.00 0.00 33.01 30.46 1wie s GLN 68 CO 0.00 -0.79 0.09 1.03 -0.55 0.00 0.00 175.29 175.06 1wie s ARG 69 N 2.95 2.72 0.35 1.67 0.52 -1.26 0.53 118.95 126.42 1wie s ARG 69 Ca 0.77 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.77 1wie s ARG 69 Cb -0.41 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 31.68 1wie s ARG 69 CO 0.34 -0.60 0.64 0.20 0.02 0.00 0.00 175.30 175.90 1wie s GLY 70 N 1.41 0.74 0.82 -3.53 0.00 -1.03 -4.94 107.32 100.79 1wie s GLY 70 Ca -0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 1wie s GLY 70 CO 0.02 -0.57 1.09 1.08 0.00 0.00 0.00 173.10 174.72 1wie s LEU 71 N -3.11 2.71 -0.25 0.66 1.43 0.65 -1.57 118.68 119.20 1wie s LEU 71 Ca 0.21 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1wie s LEU 71 Cb -0.03 -4.25 0.09 0.00 0.03 0.00 0.00 46.19 42.03 1wie s LEU 71 CO 0.14 -2.24 0.59 -0.69 0.23 0.00 0.00 176.35 174.38 1wie s VAL 72 N -2.94 -0.28 0.09 -1.59 1.01 0.41 -0.85 120.40 116.26 1wie s VAL 72 Ca 0.62 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1wie s VAL 72 Cb -0.17 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1wie s VAL 72 CO 0.56 0.02 1.16 -2.16 0.00 0.00 0.00 175.10 174.67 1wie s PRO 73 N 1.95 4.48 0.00 2.72 0.04 -1.26 0.20 135.00 143.13 1wie s PRO 73 Ca -0.08 1.73 0.18 0.00 0.04 0.00 0.00 61.00 62.87 1wie s PRO 73 Cb -0.08 -3.34 0.96 0.00 0.04 0.00 0.00 34.50 32.08 1wie s PRO 73 CO -0.18 -0.16 1.53 -1.13 0.04 0.00 0.00 177.00 177.11 1wie n SER 74 N 3.52 0.00 -0.01 6.66 3.41 -1.26 -1.38 113.62 124.56 1wie n SER 74 Ca 0.07 -0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1wie n SER 74 Cb 0.47 -0.21 0.19 0.00 -0.26 0.00 0.00 64.21 64.40 1wie n SER 74 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wie n ASN 75 N -1.21 0.62 -0.01 4.04 5.15 -1.26 -3.80 115.26 118.79 1wie n ASN 75 Ca 0.10 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1wie n ASN 75 Cb 0.12 0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.46 0.00 -4.33 1.20 3.01 -0.48 -4.88 117.46 110.53 1wie n PHE 76 Ca 0.06 -0.29 -0.20 0.00 1.01 0.00 0.00 57.45 58.03 1wie n PHE 76 Cb 0.34 -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 -0.58 1.76 -0.21 -4.37 -7.23 -1.02 0.19 120.40 108.93 1wie s VAL 77 Ca 0.00 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.09 1wie s VAL 77 Cb 0.00 -1.92 0.07 0.00 0.56 0.00 0.00 36.38 35.10 1wie s VAL 77 CO 0.00 -0.45 0.09 -0.62 -0.31 0.00 0.00 175.10 173.81 1wie s ASP 78 N -2.96 2.84 -0.88 4.85 -1.08 0.28 -4.71 116.67 115.01 1wie s ASP 78 Ca 0.18 -0.88 -0.19 0.00 -0.52 0.00 0.00 52.55 51.15 1wie s ASP 78 Cb -0.03 -0.37 -0.23 0.00 -1.46 0.00 0.00 42.92 40.82 1wie s ASP 78 CO 0.07 -0.37 2.32 0.49 0.52 0.00 0.00 175.17 178.20 1wie n PHE 79 N 5.20 0.60 -1.50 -5.34 3.01 -1.26 0.14 117.46 118.31 1wie n PHE 79 Ca -0.07 0.04 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 1wie n PHE 79 Cb 0.47 -1.63 0.11 0.00 -0.01 0.00 0.00 39.48 38.41 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 7.31 2.69 -0.02 -4.37 0.11 -0.38 -4.90 120.40 120.84 1wie s VAL 80 Ca 1.15 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 60.43 1wie s VAL 80 Cb -0.57 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1wie s VAL 80 CO 0.36 -0.29 -0.01 -1.10 -3.33 0.00 0.00 175.10 170.73 1wie s GLN 81 N -5.16 0.22 -0.18 1.54 -0.21 -1.26 -4.64 119.66 109.97 1wie s GLN 81 Ca 0.62 0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.84 1wie s GLN 81 Cb -0.15 -0.33 -0.14 0.00 1.00 0.00 0.00 33.01 33.39 1wie s GLN 81 CO 0.54 -0.06 0.09 -0.44 -2.12 0.00 0.00 175.29 173.31 1wie h ASP 82 N 6.76 0.00 -0.94 5.90 3.32 -1.97 -3.46 116.42 126.02 1wie h ASP 82 Ca -0.36 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.32 1wie h ASP 82 Cb 1.16 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1wie h ASP 82 CO 0.49 1.22 -0.41 0.54 -1.72 0.00 0.00 179.24 179.36 1wie s ASN 83 N -6.45 -1.47 0.15 6.45 4.22 -1.26 -5.04 114.94 111.54 1wie s ASN 83 Ca -0.24 -0.59 -0.31 0.00 -2.14 0.00 0.00 52.86 49.59 1wie s ASN 83 Cb 0.04 1.87 -0.06 0.00 1.28 0.00 0.00 41.25 44.38 1wie s ASN 83 CO 0.46 -0.18 1.55 -0.33 -2.04 0.00 0.00 177.10 176.56 1wie h GLU 84 N 7.05 -0.24 -4.17 3.55 5.08 -1.99 -3.48 114.58 120.38 1wie h GLU 84 Ca 0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wie h GLU 84 Cb 1.18 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1wie h GLU 84 CO 0.09 -0.16 -0.84 0.45 -1.00 0.00 0.00 179.01 177.55 1wie n SER 85 N -5.35 -8.37 0.16 1.42 2.88 -1.26 -4.84 113.62 98.26 1wie n SER 85 Ca -0.01 1.44 0.01 0.00 -1.33 0.00 0.00 58.87 58.99 1wie n SER 85 Cb 0.32 -4.61 0.29 0.00 -0.75 0.00 0.00 64.21 59.46 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 3.73 0.02 -6.72 -1.46 -0.00 -1.95 -3.45 114.38 104.56 1wie h ARG 86 Ca 0.00 -0.01 -0.58 0.00 -0.00 0.00 0.00 59.98 59.39 1wie h ARG 86 Cb 0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 29.97 30.12 1wie h ARG 86 CO 0.00 0.46 0.09 1.28 -0.00 0.00 0.00 179.97 181.80 1wie n LEU 87 N -4.01 2.92 -1.05 0.08 4.32 -1.26 -4.54 117.00 113.46 1wie n LEU 87 Ca -0.02 0.89 0.14 0.00 -0.02 0.00 0.00 56.01 57.01 1wie n LEU 87 Cb 0.47 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 40.88 1wie n LEU 87 CO 0.40 -1.82 -0.28 0.00 -1.22 0.00 0.00 177.39 174.46 1wie n ALA 88 N -1.20 -2.72 -1.48 -1.18 0.00 -1.26 -4.74 120.51 107.93 1wie n ALA 88 Ca 0.11 0.45 -0.58 0.00 0.00 0.00 0.00 53.44 53.42 1wie n ALA 88 Cb 0.44 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1wie n ALA 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wie n SER 89 N -3.65 -0.06 -3.57 0.00 7.64 -1.26 -4.94 113.62 107.78 1wie n SER 89 Ca -0.02 1.14 -0.16 0.00 1.01 0.00 0.00 58.87 60.85 1wie n SER 89 Cb 0.49 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 1wie n SER 89 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wie s THR 90 N -0.04 0.00 -0.19 0.44 -1.32 -1.26 -5.01 115.64 108.26 1wie s THR 90 Ca 0.89 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.25 1wie s THR 90 Cb -1.24 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 68.81 1wie s THR 90 CO 0.56 0.00 0.48 -0.55 -2.21 0.00 0.00 174.62 172.90 1wie s SER 91 N -0.52 -0.59 0.00 8.08 0.15 -1.26 -5.14 113.70 114.43 1wie s SER 91 Ca -0.06 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wie s SER 91 Cb -0.02 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1wie s SER 91 CO 0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wie n GLY 92 N 3.95 -0.73 3.78 9.45 0.00 -1.26 -5.02 105.19 115.37 1wie n GLY 92 Ca -0.21 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.26 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 0.00 4.20 -0.06 1.61 0.04 -1.26 -5.04 135.00 134.49 1wie s PRO 93 Ca 0.00 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 1wie s PRO 93 Cb 0.00 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 32.05 1wie s PRO 93 CO 0.00 -0.12 1.17 0.45 0.04 0.00 0.00 177.00 178.54 1wie s SER 94 N -1.49 -0.14 -0.28 6.66 0.15 -1.26 -5.07 113.70 112.26 1wie s SER 94 Ca 0.57 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.01 1wie s SER 94 Cb -0.23 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1wie s SER 94 CO 0.29 -0.39 0.27 -1.20 1.20 0.00 0.00 173.24 173.41 1wie n SER 95 N -0.30 -7.16 0.00 5.45 7.64 -1.26 -5.08 113.62 112.91 1wie n SER 95 Ca -0.05 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wie n SER 95 Cb 0.61 -3.68 0.00 0.00 -1.01 0.00 0.00 64.21 60.13 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64