#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 -5.53 -4.11 1.61 2.88 -1.26 -4.88 113.62 102.33 1wie n SER 2 Ca 0.00 1.10 -0.09 0.00 -1.33 0.00 0.00 58.87 58.55 1wie n SER 2 Cb 0.00 -3.37 -0.10 0.00 -0.75 0.00 0.00 64.21 59.99 1wie n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wie s SER 3 N -5.80 0.75 0.43 -3.46 0.15 -1.26 -5.15 113.70 99.36 1wie s SER 3 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1wie s SER 3 Cb 0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1wie s SER 3 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1wie n GLY 4 N 0.19 -1.73 3.33 9.45 0.00 -1.26 -5.11 105.19 110.06 1wie n GLY 4 Ca -0.14 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1wie n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wie s SER 5 N -1.31 -0.33 0.25 1.61 0.01 -1.26 -4.88 113.70 107.79 1wie s SER 5 Ca 0.00 0.19 -0.22 0.00 1.31 0.00 0.00 55.95 57.23 1wie s SER 5 Cb 0.00 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.67 1wie s SER 5 CO 0.00 -0.57 0.70 -0.94 0.41 0.00 0.00 173.24 172.85 1wie s SER 6 N -1.57 -0.33 0.07 2.44 1.04 -1.26 -4.99 113.70 109.11 1wie s SER 6 Ca -0.10 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.91 1wie s SER 6 Cb -0.02 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1wie s SER 6 CO 0.03 -1.24 -0.11 -0.83 0.98 0.00 0.00 173.24 172.07 1wie s GLY 7 N -2.88 0.78 0.35 7.32 0.00 -1.26 -4.63 107.32 107.00 1wie s GLY 7 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1wie s GLY 7 CO 0.02 -1.06 0.00 -0.37 0.00 0.00 0.00 173.10 171.69 1wie n THR 8 N 1.06 -0.88 -3.72 0.90 5.66 -1.26 -4.82 114.28 111.21 1wie n THR 8 Ca -0.20 0.63 -0.37 0.00 -3.05 0.00 0.00 64.05 61.06 1wie n THR 8 Cb 0.56 -0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 68.24 1wie n THR 8 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wie s SER 9 N -5.39 5.36 -0.06 1.09 0.01 -1.26 -4.90 113.70 108.54 1wie s SER 9 Ca 0.00 -2.05 -0.03 0.00 1.31 0.00 0.00 55.95 55.18 1wie s SER 9 Cb 0.00 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1wie s SER 9 CO 0.00 -0.57 -0.05 0.11 0.41 0.00 0.00 173.24 173.14 1wie h LYS 10 N 8.09 0.00 -4.69 12.44 1.57 -2.05 -3.48 116.57 128.46 1wie h LYS 10 Ca -0.14 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.25 1wie h LYS 10 Cb 1.05 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.07 1wie h LYS 10 CO 0.74 0.00 -0.78 -0.65 -0.57 0.00 0.00 179.45 178.19 1wie s GLN 11 N -1.50 0.72 -0.32 3.15 -0.21 -1.26 -5.03 119.66 115.22 1wie s GLN 11 Ca -0.04 -0.31 -0.00 0.00 0.02 0.00 0.00 55.36 55.02 1wie s GLN 11 Cb 0.01 -0.69 0.26 0.00 1.00 0.00 0.00 33.01 33.58 1wie s GLN 11 CO 0.07 0.18 1.90 0.54 -2.12 0.00 0.00 175.29 175.86 1wie n ARG 12 N 2.89 1.81 -2.66 2.91 3.00 -1.26 -4.01 116.66 119.35 1wie n ARG 12 Ca -0.14 -1.65 -0.04 0.00 -0.01 0.00 0.00 57.85 56.02 1wie n ARG 12 Cb 0.57 -1.65 0.02 0.00 0.00 0.00 0.00 32.46 31.40 1wie n ARG 12 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1wie n TYR 13 N 0.13 -0.42 0.00 -1.55 4.11 -1.26 -4.95 117.16 113.22 1wie n TYR 13 Ca 0.32 -0.74 0.00 0.00 -0.00 0.00 0.00 57.90 57.48 1wie n TYR 13 Cb 0.70 1.18 0.00 0.00 -0.00 0.00 0.00 39.34 41.22 1wie n TYR 13 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wie n SER 14 N -0.24 1.62 -4.91 9.48 2.88 -1.26 -5.08 113.62 116.12 1wie n SER 14 Ca -0.21 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.01 1wie n SER 14 Cb 0.68 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.10 1wie n SER 14 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wie s GLY 15 N -3.99 2.20 0.94 0.46 0.00 -1.26 -5.05 107.32 100.62 1wie s GLY 15 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.88 1wie s GLY 15 CO 0.00 -0.62 -0.46 0.28 0.00 0.00 0.00 173.10 172.30 1wie n LYS 16 N 0.13 -0.04 -4.30 2.90 5.02 -1.26 -3.24 118.16 117.37 1wie n LYS 16 Ca -0.03 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1wie n LYS 16 Cb 0.52 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.23 1wie n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wie s VAL 17 N -2.07 3.11 -0.07 -0.18 0.11 -1.26 0.13 120.40 120.16 1wie s VAL 17 Ca 0.46 -1.66 0.03 0.00 -2.93 0.00 0.00 61.98 57.88 1wie s VAL 17 Cb -0.22 -2.52 0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1wie s VAL 17 CO 0.77 -0.09 -0.16 -1.00 -3.33 0.00 0.00 175.10 171.30 1wie s HIS 18 N -1.64 1.78 -0.27 1.54 0.09 0.04 -4.92 115.29 111.91 1wie s HIS 18 Ca 0.24 -0.65 -0.21 0.00 -0.00 0.00 0.00 55.06 54.44 1wie s HIS 18 Cb -0.09 -1.24 -0.01 0.00 -0.00 0.00 0.00 32.58 31.24 1wie s HIS 18 CO 0.14 -0.29 0.67 -1.17 -0.00 0.00 0.00 174.74 174.10 1wie s LEU 19 N 0.46 4.08 0.23 0.89 2.96 -1.26 -0.15 118.68 125.89 1wie s LEU 19 Ca -0.14 0.70 0.11 0.00 -0.22 0.00 0.00 54.13 54.59 1wie s LEU 19 Cb -0.15 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1wie s LEU 19 CO 0.05 -0.43 -0.19 0.00 -1.32 0.00 0.00 176.35 174.45 1wie s VAL 21 N -2.03 2.73 -0.37 0.00 0.11 0.37 -0.55 120.40 120.67 1wie s VAL 21 Ca 0.25 -1.25 -0.35 0.00 -2.93 0.00 0.00 61.98 57.70 1wie s VAL 21 Cb -0.07 -2.48 -0.15 0.00 -1.53 0.00 0.00 36.38 32.16 1wie s VAL 21 CO 0.13 0.07 1.28 0.00 -3.33 0.00 0.00 175.10 173.26 1wie n ALA 22 N 4.61 -0.77 -0.03 1.54 0.00 0.38 -0.74 120.51 125.50 1wie n ALA 22 Ca -0.15 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 1wie n ALA 22 Cb 0.45 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 4.37 -0.03 -3.73 0.00 1.12 -0.78 0.35 114.38 115.67 1wie h ARG 23 Ca -0.28 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.22 1wie h ARG 23 Cb 1.03 0.01 -0.35 0.00 -0.01 0.00 0.00 29.97 30.65 1wie h ARG 23 CO 0.75 0.64 -0.75 0.71 -3.11 0.00 0.00 179.97 178.20 1wie s TYR 24 N -3.35 0.42 -0.48 2.20 2.02 -1.25 -4.63 117.35 112.28 1wie s TYR 24 Ca -0.16 -0.04 -0.45 0.00 -0.37 0.00 0.00 57.07 56.05 1wie s TYR 24 Cb -0.00 -0.51 -0.19 0.00 -0.40 0.00 0.00 41.96 40.85 1wie s TYR 24 CO 0.64 -0.17 1.83 -1.13 -1.57 0.00 0.00 175.55 175.15 1wie n SER 25 N 4.36 1.19 -4.18 2.29 3.41 -1.26 -4.41 113.62 115.02 1wie n SER 25 Ca -0.22 0.97 -0.22 0.00 -0.26 0.00 0.00 58.87 59.15 1wie n SER 25 Cb 0.50 -0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 63.39 1wie n SER 25 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1wie s TYR 26 N 4.28 1.41 -0.14 7.33 6.14 0.35 -4.87 117.35 131.85 1wie s TYR 26 Ca 1.10 -0.36 -0.04 0.00 0.64 0.00 0.00 57.07 58.41 1wie s TYR 26 Cb -1.44 -0.84 0.07 0.00 0.42 0.00 0.00 41.96 40.17 1wie s TYR 26 CO 0.74 0.05 0.23 -0.80 0.64 0.00 0.00 175.55 176.41 1wie s ASN 27 N -1.13 0.77 0.24 4.32 -0.87 -1.26 0.28 114.94 117.30 1wie s ASN 27 Ca 0.04 0.26 0.11 0.00 -1.57 0.00 0.00 52.86 51.70 1wie s ASN 27 Cb -0.08 0.50 0.22 0.00 -0.02 0.00 0.00 41.25 41.87 1wie s ASN 27 CO 0.01 -0.27 1.52 1.55 -2.57 0.00 0.00 177.10 177.35 1wie h PRO 28 N 8.31 0.00 -1.02 -0.60 0.13 -1.83 -3.10 132.00 133.90 1wie h PRO 28 Ca -0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.85 1wie h PRO 28 Cb 1.13 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 1wie h PRO 28 CO 0.19 0.69 0.17 1.19 -0.23 0.00 0.00 178.00 180.00 1wie n PHE 29 N -3.60 0.79 -0.03 1.56 3.72 -1.26 -3.28 117.46 115.37 1wie n PHE 29 Ca -0.00 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.53 1wie n PHE 29 Cb 0.70 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.09 2.62 -4.97 4.37 -0.08 -1.17 -5.03 116.55 112.38 1wie n ASP 30 Ca 0.15 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.21 1wie n ASP 30 Cb 0.80 1.09 0.02 0.00 2.34 0.00 0.00 41.12 45.37 1wie n ASP 30 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1wie s GLY 31 N -3.72 2.04 0.00 0.27 0.00 -1.20 -4.99 107.32 99.72 1wie s GLY 31 Ca -0.04 -1.74 0.20 0.00 0.00 0.00 0.00 44.72 43.13 1wie s GLY 31 CO 0.41 -1.78 1.64 -1.55 0.00 0.00 0.00 173.10 171.82 1wie n PRO 32 N -1.97 0.75 -0.89 2.90 -0.04 -1.26 -4.90 135.00 129.59 1wie n PRO 32 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1wie n PRO 32 Cb 0.63 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.92 -2.24 -0.00 3.54 3.02 -1.26 -4.85 115.26 112.55 1wie n ASN 33 Ca 0.15 0.52 0.10 0.00 -0.03 0.00 0.00 54.58 55.32 1wie n ASN 33 Cb 0.07 -0.60 -0.12 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 0.98 0.03 -3.12 3.52 0.28 -1.26 -4.47 120.64 116.60 1wie n GLU 34 Ca 0.07 -0.01 -0.19 0.00 -0.16 0.00 0.00 57.16 56.87 1wie n GLU 34 Cb 0.30 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 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 -1.53 1.51 0.08 -1.84 4.05 -1.26 -4.89 115.26 111.38 1wie n ASN 35 Ca 0.04 -3.12 -0.09 0.00 0.45 0.00 0.00 54.58 51.86 1wie n ASN 35 Cb 0.34 -0.60 0.01 0.00 1.23 0.00 0.00 39.78 40.76 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 2.99 0.27 0.00 1.20 0.13 -1.82 -3.08 132.00 131.69 1wie h PRO 36 Ca 0.10 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1wie h PRO 36 Cb 0.90 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1wie h PRO 36 CO 0.56 0.95 -0.10 1.05 -0.23 0.00 0.00 178.00 180.23 1wie h GLU 37 N 0.16 0.00 -0.37 0.86 4.11 -1.90 -2.23 114.58 115.22 1wie h GLU 37 Ca -0.04 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.45 1wie h GLU 37 Cb 1.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 1wie h GLU 37 CO 0.13 0.10 0.06 0.00 0.07 0.00 0.00 179.01 179.37 1wie h ALA 38 N 1.90 0.38 -3.89 1.06 0.00 -1.89 -3.43 119.26 113.39 1wie h ALA 38 Ca -0.00 0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1wie h ALA 38 Cb 0.17 0.11 0.12 0.00 0.00 0.00 0.00 17.79 18.19 1wie h ALA 38 CO 0.01 -0.34 0.27 0.39 0.00 0.00 0.00 179.25 179.58 1wie n GLU 39 N -5.11 -0.78 -4.50 0.00 1.02 -0.84 0.23 120.64 110.66 1wie n GLU 39 Ca 0.02 -1.61 -0.21 0.00 -0.02 0.00 0.00 57.16 55.34 1wie n GLU 39 Cb 0.17 -0.93 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 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 2.07 -0.88 -4.62 1.43 -0.44 -4.35 118.68 111.89 1wie s LEU 40 Ca 0.55 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1wie s LEU 40 Cb -0.02 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1wie s LEU 40 CO 0.38 0.12 1.66 -2.16 0.23 0.00 0.00 176.35 176.57 1wie s PRO 41 N -0.55 3.04 0.48 1.29 0.04 -1.26 -4.63 135.00 133.41 1wie s PRO 41 Ca 0.04 -0.46 -0.22 0.00 0.04 0.00 0.00 61.00 60.40 1wie s PRO 41 Cb -0.06 -4.95 -0.07 0.00 0.04 0.00 0.00 34.50 29.46 1wie s PRO 41 CO 0.00 -2.68 1.14 -0.51 0.04 0.00 0.00 177.00 174.99 1wie s LEU 42 N 7.44 3.93 -0.29 -3.56 1.43 0.14 -4.81 118.68 122.97 1wie s LEU 42 Ca 0.56 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.87 1wie s LEU 42 Cb -0.05 -4.37 0.09 0.00 0.03 0.00 0.00 46.19 41.89 1wie s LEU 42 CO 0.01 -0.97 0.07 -0.89 0.23 0.00 0.00 176.35 174.80 1wie s THR 43 N -1.65 0.93 -0.28 5.49 2.01 -1.26 0.13 115.64 121.00 1wie s THR 43 Ca 0.66 -1.28 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1wie s THR 43 Cb -0.26 -1.61 -0.11 0.00 0.01 0.00 0.00 72.50 70.53 1wie s THR 43 CO 0.31 -0.55 1.04 0.00 -0.69 0.00 0.00 174.62 174.73 1wie n ALA 44 N 4.84 -0.41 0.00 7.40 0.00 -1.25 0.23 120.51 131.32 1wie n ALA 44 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1wie n ALA 44 Cb 0.43 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 3.09 3.09 3.66 0.00 0.00 0.11 -4.86 105.19 110.28 1wie n GLY 45 Ca 0.23 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1wie n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wie s LYS 46 N 0.00 0.85 0.45 1.61 -0.14 0.62 -4.56 119.74 118.56 1wie s LYS 46 Ca 0.00 1.50 0.05 0.00 -1.36 0.00 0.00 55.97 56.17 1wie s LYS 46 Cb 0.00 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.40 1wie s LYS 46 CO 0.00 -2.74 0.10 0.71 -0.76 0.00 0.00 175.35 172.66 1wie s TYR 47 N -2.63 2.28 -0.05 3.18 2.02 -1.26 0.14 117.35 121.03 1wie s TYR 47 Ca 0.67 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 56.34 1wie s TYR 47 Cb -0.23 -1.81 0.10 0.00 -0.40 0.00 0.00 41.96 39.63 1wie s TYR 47 CO 0.58 0.21 0.86 -0.48 -1.57 0.00 0.00 175.55 175.16 1wie s LEU 48 N -3.87 -0.43 -0.37 -1.29 2.34 0.29 -4.35 118.68 111.00 1wie s LEU 48 Ca 0.29 0.25 -0.08 0.00 0.06 0.00 0.00 54.13 54.64 1wie s LEU 48 Cb 0.05 2.11 0.04 0.00 -0.56 0.00 0.00 46.19 47.83 1wie s LEU 48 CO 0.16 -0.56 0.17 -0.31 -1.06 0.00 0.00 176.35 174.75 1wie s TYR 49 N -2.21 3.27 -0.48 3.48 2.02 -1.14 -0.74 117.35 121.55 1wie s TYR 49 Ca -0.00 -1.30 -0.18 0.00 -0.37 0.00 0.00 57.07 55.22 1wie s TYR 49 Cb -0.01 -2.48 0.06 0.00 -0.40 0.00 0.00 41.96 39.13 1wie s TYR 49 CO -0.03 -0.73 0.53 0.54 -1.57 0.00 0.00 175.55 174.29 1wie s VAL 50 N 1.46 5.01 0.31 0.71 0.11 0.79 0.19 120.40 128.97 1wie s VAL 50 Ca 0.01 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.13 1wie s VAL 50 Cb -0.20 -4.21 -0.10 0.00 -1.53 0.00 0.00 36.38 30.34 1wie s VAL 50 CO 0.04 -0.68 1.16 -0.31 -3.33 0.00 0.00 175.10 171.97 1wie s TYR 51 N 2.27 3.39 0.00 1.54 2.02 -1.23 -0.78 117.35 124.55 1wie s TYR 51 Ca 0.11 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 1wie s TYR 51 Cb -0.20 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 37.97 1wie s TYR 51 CO 0.11 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 1wie n GLY 52 N 1.01 1.04 2.68 0.71 0.00 0.34 -4.46 105.19 106.51 1wie n GLY 52 Ca -0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.28 2.76 -4.35 1.61 2.03 -1.26 -4.71 116.55 112.35 1wie n ASP 53 Ca 0.00 -2.65 -0.35 0.00 0.52 0.00 0.00 54.79 52.31 1wie n ASP 53 Cb 0.00 0.34 0.08 0.00 -0.72 0.00 0.00 41.12 40.82 1wie n ASP 53 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1wie n MET 54 N -0.90 -0.02 -2.62 -0.67 1.56 -1.26 -4.69 117.12 108.53 1wie n MET 54 Ca -0.14 0.03 -0.22 0.00 -0.27 0.00 0.00 57.70 57.10 1wie n MET 54 Cb 0.48 -1.64 0.06 0.00 2.15 0.00 0.00 33.22 34.27 1wie n MET 54 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wie s ASP 55 N -1.58 4.93 0.26 6.12 1.11 0.10 -4.52 116.67 123.09 1wie s ASP 55 Ca 0.57 -0.14 0.18 0.00 0.18 0.00 0.00 52.55 53.34 1wie s ASP 55 Cb -0.27 -0.55 0.96 0.00 1.07 0.00 0.00 42.92 44.13 1wie s ASP 55 CO 0.67 -1.41 1.56 -1.84 1.18 0.00 0.00 175.17 175.33 1wie n GLU 56 N -2.53 0.12 -0.01 8.23 0.28 -1.26 -0.47 120.64 125.00 1wie n GLU 56 Ca 0.11 0.58 -0.11 0.00 -0.16 0.00 0.00 57.16 57.59 1wie n GLU 56 Cb 0.60 -1.87 -0.14 0.00 1.43 0.00 0.00 31.44 31.46 1wie n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1wie h ASP 57 N 0.00 0.07 0.00 -1.84 3.32 -1.98 -3.49 116.42 112.50 1wie h ASP 57 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wie h ASP 57 Cb 0.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wie h ASP 57 CO 0.00 1.13 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 1wie n GLY 58 N 1.61 0.95 3.24 2.75 0.00 0.38 -5.14 105.19 108.99 1wie n GLY 58 Ca -0.18 0.00 -0.13 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 -1.81 1.19 -0.11 1.61 0.40 -1.26 -4.65 117.98 113.35 1wie s PHE 59 Ca 0.00 -1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 55.26 1wie s PHE 59 Cb 0.00 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 1wie s PHE 59 CO 0.00 -0.23 0.04 0.71 0.70 0.00 0.00 175.22 176.45 1wie s TYR 60 N -3.68 3.27 -0.07 0.36 2.02 0.59 0.00 117.35 119.85 1wie s TYR 60 Ca 0.24 0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 57.12 1wie s TYR 60 Cb 0.06 -1.88 -0.15 0.00 -0.40 0.00 0.00 41.96 39.60 1wie s TYR 60 CO 0.04 0.46 3.09 0.39 -1.57 0.00 0.00 175.55 177.96 1wie n GLU 61 N 2.39 1.81 -1.50 -0.62 1.02 -1.25 0.20 120.64 122.68 1wie n GLU 61 Ca -0.19 -0.95 -0.43 0.00 -0.02 0.00 0.00 57.16 55.57 1wie n GLU 61 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.99 -1.05 3.00 0.62 0.00 -0.87 -3.57 105.19 105.31 1wie n GLY 62 Ca 0.33 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.61 1.95 0.34 1.61 2.12 0.50 -2.40 118.70 121.20 1wie s GLU 63 Ca 0.63 -2.38 -0.21 0.00 0.36 0.00 0.00 54.97 53.37 1wie s GLU 63 Cb -0.64 -3.37 -0.15 0.00 0.26 0.00 0.00 34.13 30.23 1wie s GLU 63 CO 0.58 -1.08 0.17 1.28 -0.54 0.00 0.00 175.26 175.67 1wie n LEU 64 N 3.54 -2.38 0.27 2.70 4.32 0.24 -2.88 117.00 122.81 1wie n LEU 64 Ca 0.05 0.83 0.18 0.00 -0.02 0.00 0.00 56.01 57.04 1wie n LEU 64 Cb 0.36 -0.84 0.86 0.00 -1.62 0.00 0.00 43.42 42.17 1wie n LEU 64 CO 0.31 -3.71 1.15 -0.07 -1.22 0.00 0.00 177.39 173.84 1wie h LEU 65 N 0.44 0.00 -0.35 2.23 3.38 -1.89 1.33 115.31 120.45 1wie h LEU 65 Ca -0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 1wie h LEU 65 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1wie h LEU 65 CO 0.46 0.00 -0.38 -0.78 0.09 0.00 0.00 178.44 177.83 1wie h ASP 66 N 0.00 0.00 0.00 -0.43 3.58 -1.96 -3.46 116.42 114.15 1wie h ASP 66 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1wie h ASP 66 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1wie h ASP 66 CO -0.00 0.38 0.00 0.61 -2.88 0.00 0.00 179.24 177.35 1wie n GLY 67 N 0.87 0.95 3.67 -0.78 0.00 0.46 -5.08 105.19 105.27 1wie n GLY 67 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.10 4.19 -0.26 1.61 0.74 -1.21 -4.70 119.66 119.93 1wie s GLN 68 Ca 0.00 2.31 -0.05 0.00 0.05 0.00 0.00 55.36 57.67 1wie s GLN 68 Cb 0.00 -3.82 -0.00 0.00 1.10 0.00 0.00 33.01 30.28 1wie s GLN 68 CO 0.00 -0.80 0.02 1.03 -0.55 0.00 0.00 175.29 174.99 1wie s ARG 69 N 3.42 3.27 0.38 1.67 0.52 -1.26 0.80 118.95 127.75 1wie s ARG 69 Ca 0.76 -0.72 -0.16 0.00 -0.52 0.00 0.00 55.73 55.09 1wie s ARG 69 Cb -0.38 -3.21 0.06 0.00 0.52 0.00 0.00 34.95 31.95 1wie s ARG 69 CO 0.32 -0.31 0.81 0.20 0.02 0.00 0.00 175.30 176.35 1wie s GLY 70 N 1.50 0.41 0.84 -3.53 0.00 -1.01 -4.93 107.32 100.60 1wie s GLY 70 Ca 0.04 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 1wie s GLY 70 CO 0.00 -0.14 1.09 1.08 0.00 0.00 0.00 173.10 175.14 1wie s LEU 71 N -3.11 2.59 -0.28 0.66 1.43 0.63 -2.05 118.68 118.55 1wie s LEU 71 Ca 0.16 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 1wie s LEU 71 Cb -0.05 -4.17 0.11 0.00 0.03 0.00 0.00 46.19 42.11 1wie s LEU 71 CO 0.12 -2.39 0.62 -0.69 0.23 0.00 0.00 176.35 174.24 1wie s VAL 72 N -2.92 -0.70 0.05 -1.59 1.01 0.53 -1.32 120.40 115.46 1wie s VAL 72 Ca 0.62 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1wie s VAL 72 Cb -0.18 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1wie s VAL 72 CO 0.57 0.01 1.17 -2.16 0.00 0.00 0.00 175.10 174.69 1wie s PRO 73 N 2.52 4.45 0.06 2.72 0.04 -1.26 0.22 135.00 143.75 1wie s PRO 73 Ca -0.07 1.72 0.12 0.00 0.04 0.00 0.00 61.00 62.82 1wie s PRO 73 Cb -0.10 -3.37 0.55 0.00 0.04 0.00 0.00 34.50 31.62 1wie s PRO 73 CO -0.18 -0.23 1.39 -1.13 0.04 0.00 0.00 177.00 176.88 1wie n SER 74 N 3.95 0.14 -0.33 6.66 3.41 -1.26 -0.61 113.62 125.58 1wie n SER 74 Ca 0.09 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 1wie n SER 74 Cb 0.47 -0.57 0.64 0.00 -0.26 0.00 0.00 64.21 64.49 1wie n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wie n ASN 75 N -1.66 1.04 -1.16 4.04 3.02 -1.26 -3.57 115.26 115.72 1wie n ASN 75 Ca 0.02 -1.31 0.05 0.00 -0.03 0.00 0.00 54.58 53.30 1wie n ASN 75 Cb 0.12 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.39 1wie n ASN 75 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wie n PHE 76 N -0.21 0.03 -3.61 3.10 3.01 0.22 -4.79 117.46 115.20 1wie n PHE 76 Ca 0.20 -0.92 -0.13 0.00 1.01 0.00 0.00 57.45 57.61 1wie n PHE 76 Cb 0.29 -0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.35 0.04 -0.22 -4.37 -7.23 -1.21 -0.12 120.40 105.94 1wie s VAL 77 Ca 0.36 -0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1wie s VAL 77 Cb 0.38 -0.98 0.07 0.00 0.56 0.00 0.00 36.38 36.41 1wie s VAL 77 CO -0.13 -0.20 0.05 -0.62 -0.31 0.00 0.00 175.10 173.90 1wie s ASP 78 N -2.06 3.20 -0.91 4.85 2.15 0.09 -4.63 116.67 119.35 1wie s ASP 78 Ca -0.05 -1.02 -0.17 0.00 0.43 0.00 0.00 52.55 51.74 1wie s ASP 78 Cb -0.01 -0.64 -0.26 0.00 -0.30 0.00 0.00 42.92 41.72 1wie s ASP 78 CO -0.03 -0.34 2.30 0.49 -0.17 0.00 0.00 175.17 177.43 1wie n PHE 79 N 5.02 0.47 -1.47 -5.34 3.01 -1.26 -0.47 117.46 117.41 1wie n PHE 79 Ca -0.07 0.04 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 1wie n PHE 79 Cb 0.46 -1.43 0.12 0.00 -0.01 0.00 0.00 39.48 38.62 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 5.86 2.46 -0.05 -4.37 0.11 -0.36 -4.91 120.40 119.15 1wie s VAL 80 Ca 1.20 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 60.37 1wie s VAL 80 Cb -0.66 -2.85 0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1wie s VAL 80 CO 0.41 -0.20 0.11 -1.10 -3.33 0.00 0.00 175.10 170.99 1wie s GLN 81 N -5.17 0.09 0.06 1.54 -0.21 -1.26 -4.66 119.66 110.05 1wie s GLN 81 Ca 0.63 0.25 -0.24 0.00 0.02 0.00 0.00 55.36 56.02 1wie s GLN 81 Cb -0.15 -0.09 -0.16 0.00 1.00 0.00 0.00 33.01 33.61 1wie s GLN 81 CO 0.54 -0.10 1.63 0.22 -2.12 0.00 0.00 175.29 175.46 1wie h ASP 82 N 6.71 -0.04 -1.40 5.90 3.58 -1.98 -3.40 116.42 125.80 1wie h ASP 82 Ca -0.35 -0.10 -0.21 0.00 0.42 0.00 0.00 57.03 56.79 1wie h ASP 82 Cb 1.16 0.01 -0.24 0.00 1.72 0.00 0.00 39.33 41.99 1wie h ASP 82 CO 0.44 0.08 -0.56 0.20 -2.88 0.00 0.00 179.24 176.52 1wie s ASN 83 N -5.26 -0.44 0.05 2.28 -0.87 -1.26 -5.05 114.94 104.39 1wie s ASN 83 Ca -0.14 -1.30 -0.10 0.00 -1.57 0.00 0.00 52.86 49.76 1wie s ASN 83 Cb 0.05 1.35 -0.02 0.00 -0.02 0.00 0.00 41.25 42.61 1wie s ASN 83 CO 0.66 -0.18 1.11 -0.62 -2.57 0.00 0.00 177.10 175.49 1wie n GLU 84 N 4.09 -0.14 -2.03 -0.60 -0.58 -1.26 -4.93 120.64 115.19 1wie n GLU 84 Ca 0.13 1.10 -0.00 0.00 -0.42 0.00 0.00 57.16 57.97 1wie n GLU 84 Cb 0.52 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 -3.68 -7.11 0.01 1.62 7.64 -1.26 -4.87 113.62 105.97 1wie n SER 85 Ca 0.01 1.36 -0.12 0.00 1.01 0.00 0.00 58.87 61.13 1wie n SER 85 Cb 0.08 -4.14 -0.07 0.00 -1.01 0.00 0.00 64.21 59.06 1wie n SER 85 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1wie h ARG 86 N 3.16 -0.44 -7.68 1.43 2.47 -2.03 -3.42 114.38 107.86 1wie h ARG 86 Ca -0.03 0.03 -0.44 0.00 -1.26 0.00 0.00 59.98 58.28 1wie h ARG 86 Cb 0.08 0.10 0.16 0.00 -1.65 0.00 0.00 29.97 28.66 1wie h ARG 86 CO 0.00 -0.30 0.34 -0.51 0.56 0.00 0.00 179.97 180.07 1wie s LEU 87 N -8.94 2.14 -0.71 3.04 1.43 -1.26 -4.55 118.68 109.84 1wie s LEU 87 Ca -0.12 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1wie s LEU 87 Cb 0.05 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1wie s LEU 87 CO 0.45 -3.02 0.63 0.00 0.23 0.00 0.00 176.35 174.64 1wie n ALA 88 N -3.99 -1.95 -3.62 4.21 0.00 -1.26 -5.04 120.51 108.85 1wie n ALA 88 Ca 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1wie n ALA 88 Cb 0.60 -3.76 -0.04 0.00 0.00 0.00 0.00 19.45 16.25 1wie n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wie s SER 89 N -3.19 -0.11 -0.18 0.00 0.15 -1.26 -5.01 113.70 104.10 1wie s SER 89 Ca 0.27 0.09 -0.31 0.00 0.70 0.00 0.00 55.95 56.71 1wie s SER 89 Cb -0.04 0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 1wie s SER 89 CO 0.52 -0.12 1.11 0.28 1.20 0.00 0.00 173.24 176.23 1wie s THR 90 N -1.37 0.00 -0.14 6.45 -1.32 -1.26 -5.17 115.64 112.83 1wie s THR 90 Ca 0.07 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 1wie s THR 90 Cb -0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1wie s THR 90 CO -0.05 0.00 0.40 -0.55 -2.21 0.00 0.00 174.62 172.21 1wie s SER 91 N -1.49 -0.41 0.01 8.08 0.15 -1.26 -4.95 113.70 113.82 1wie s SER 91 Ca 0.04 0.78 -0.20 0.00 0.70 0.00 0.00 55.95 57.27 1wie s SER 91 Cb -0.01 0.80 -0.06 0.00 -1.71 0.00 0.00 66.02 65.05 1wie s SER 91 CO -0.03 -0.16 0.58 -0.83 1.20 0.00 0.00 173.24 173.99 1wie s GLY 92 N 0.12 2.61 -0.08 9.45 0.00 -1.26 -5.00 107.32 113.17 1wie s GLY 92 Ca -0.01 0.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.51 1wie s GLY 92 CO 0.01 0.67 0.81 -0.56 0.00 0.00 0.00 173.10 174.02 1wie h PRO 93 N 5.40 -0.11 -5.03 2.90 0.13 -2.00 -3.50 132.00 129.80 1wie h PRO 93 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wie h PRO 93 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wie h PRO 93 CO 0.68 0.44 -0.54 0.43 -0.23 0.00 0.00 178.00 178.78 1wie n SER 94 N -4.82 -7.41 -3.19 1.44 7.64 -1.26 -4.42 113.62 101.61 1wie n SER 94 Ca -0.08 0.64 -0.03 0.00 1.01 0.00 0.00 58.87 60.42 1wie n SER 94 Cb 0.29 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 1wie n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wie n SER 95 N -0.14 -6.54 0.00 6.43 2.88 -1.26 -5.34 113.62 109.65 1wie n SER 95 Ca 0.09 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1wie n SER 95 Cb 0.34 -1.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1wie n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42