#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bur s LEU 5 N 0.00 3.86 0.11 4.31 1.02 -1.26 -5.11 118.68 121.61 2bur s LEU 5 Ca 0.00 -0.15 -0.10 0.00 0.02 0.00 0.00 54.13 53.89 2bur s LEU 5 Cb 0.00 -2.43 -0.06 0.00 0.02 0.00 0.00 46.19 43.72 2bur s LEU 5 CO 0.00 0.02 0.43 -0.54 0.02 0.00 0.00 176.35 176.28 2bur s LYS 6 N -3.45 3.79 0.41 1.70 1.02 -1.26 -5.04 119.74 116.90 2bur s LYS 6 Ca 0.32 0.21 -0.26 0.00 0.02 0.00 0.00 55.97 56.26 2bur s LYS 6 Cb -0.09 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.17 2bur s LYS 6 CO 0.25 0.52 1.39 -1.91 -0.92 0.00 0.00 175.35 174.68 2bur n GLU 7 N 0.74 2.29 -1.73 1.68 2.13 -1.26 -4.91 120.64 119.58 2bur n GLU 7 Ca -0.06 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.15 2bur n GLU 7 Cb 0.52 -2.55 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 2bur n GLU 7 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2bur n THR 8 N 0.05 0.41 -2.19 6.31 -1.04 -1.26 -4.92 114.28 111.64 2bur n THR 8 Ca 0.04 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 2bur n THR 8 Cb 0.39 -1.98 -0.00 0.00 -1.82 0.00 0.00 70.33 66.92 2bur n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bur s PRO 9 N 0.49 3.73 0.61 -2.82 0.04 -1.26 -5.01 135.00 130.78 2bur s PRO 9 Ca 0.71 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.47 2bur s PRO 9 Cb -0.50 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 2bur s PRO 9 CO 0.39 -0.60 1.04 0.45 0.04 0.00 0.00 177.00 178.32 2bur s SER 10 N -1.24 5.90 0.04 6.66 0.15 -1.26 -5.08 113.70 118.87 2bur s SER 10 Ca 0.63 1.66 -0.06 0.00 0.70 0.00 0.00 55.95 58.89 2bur s SER 10 Cb -0.31 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.48 2bur s SER 10 CO 0.38 -1.09 0.10 -1.10 1.20 0.00 0.00 173.24 172.73 2bur s GLN 11 N -4.47 0.59 0.58 5.44 -1.52 -1.20 -4.92 119.66 114.16 2bur s GLN 11 Ca 0.60 -0.73 -0.19 0.00 -1.95 0.00 0.00 55.36 53.09 2bur s GLN 11 Cb -0.14 0.23 -0.06 0.00 -0.22 0.00 0.00 33.01 32.83 2bur s GLN 11 CO 0.43 -0.15 0.95 -2.37 -0.25 0.00 0.00 175.29 173.89 2bur n THR 12 N 0.80 3.45 0.22 -0.19 5.66 -1.22 -4.76 114.28 118.23 2bur n THR 12 Ca -0.19 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.40 2bur n THR 12 Cb 0.58 -1.13 0.49 0.00 -1.55 0.00 0.00 70.33 68.73 2bur n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2bur h GLY 13 N 0.61 0.00 0.00 1.09 0.00 -1.73 -3.49 103.07 99.54 2bur h GLY 13 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2bur h GLY 13 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 2bur n GLY 14 N -0.14 -1.56 0.15 4.60 0.00 -1.26 -4.06 105.19 102.92 2bur n GLY 14 Ca -0.01 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2bur n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bur h PRO 15 N 0.00 0.00 -0.36 1.61 0.13 -1.92 -3.14 132.00 128.33 2bur h PRO 15 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2bur h PRO 15 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2bur h PRO 15 CO 0.00 0.00 0.03 0.66 -0.23 0.00 0.00 178.00 178.46 2bur n TYR 16 N -2.34 1.22 0.28 1.56 4.01 -1.26 -4.65 117.16 115.98 2bur n TYR 16 Ca 0.02 -1.08 0.13 0.00 -0.16 0.00 0.00 57.90 56.81 2bur n TYR 16 Cb 0.24 -0.41 0.59 0.00 -0.31 0.00 0.00 39.34 39.45 2bur n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2bur h VAL 17 N 1.78 0.04 0.00 -0.72 3.04 -1.69 -0.27 116.25 118.44 2bur h VAL 17 Ca 0.09 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.73 2bur h VAL 17 Cb 1.63 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2bur h VAL 17 CO 0.34 0.00 -0.23 0.45 -1.01 0.00 0.00 177.57 177.12 2bur h HIS 18 N 0.00 0.00 -0.64 3.17 3.86 -1.90 -1.52 115.15 118.12 2bur h HIS 18 Ca 0.05 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 2bur h HIS 18 Cb 1.16 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.60 2bur h HIS 18 CO 0.00 0.23 0.29 0.82 0.86 0.00 0.00 177.93 180.13 2bur h ILE 19 N 0.00 1.23 0.00 2.45 2.04 -1.30 0.40 117.51 122.33 2bur h ILE 19 Ca -0.00 -0.66 -0.26 0.00 1.00 0.00 0.00 64.86 64.94 2bur h ILE 19 Cb 0.67 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2bur h ILE 19 CO 0.03 0.27 -1.76 0.61 0.00 0.00 0.00 178.15 177.29 2bur n GLY 20 N -0.91 -1.06 0.01 5.37 0.00 -1.12 -3.83 105.19 103.65 2bur n GLY 20 Ca 0.04 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2bur n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bur n LEU 21 N -2.91 0.07 -3.14 0.99 4.77 -0.59 -4.68 117.00 111.51 2bur n LEU 21 Ca -0.17 -0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 2bur n LEU 21 Cb 0.99 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.06 2bur n LEU 21 CO 0.44 0.02 -0.17 0.18 -1.33 0.00 0.00 177.39 176.52 2bur n LEU 22 N -2.04 0.35 -0.37 2.23 4.77 0.03 -4.87 117.00 117.09 2bur n LEU 22 Ca -0.03 -4.80 0.33 0.00 -0.03 0.00 0.00 56.01 51.48 2bur n LEU 22 Cb 0.44 0.73 0.67 0.00 -2.33 0.00 0.00 43.42 42.93 2bur n LEU 22 CO 0.36 2.23 1.29 1.55 -1.33 0.00 0.00 177.39 181.50 2bur h PRO 23 N 3.16 0.13 -0.69 3.23 0.13 -1.38 0.38 132.00 136.96 2bur h PRO 23 Ca 0.07 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2bur h PRO 23 Cb 0.97 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 2bur h PRO 23 CO 0.45 0.09 0.44 0.87 -0.23 0.00 0.00 178.00 179.62 2bur h LYS 24 N 0.13 0.85 0.00 0.86 1.79 -1.85 0.20 116.57 118.55 2bur h LYS 24 Ca 0.64 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 59.06 2bur h LYS 24 Cb 2.20 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 32.66 2bur h LYS 24 CO -0.16 0.56 -0.01 0.37 -1.08 0.00 0.00 179.45 179.14 2bur h GLN 25 N 0.87 0.00 -0.68 3.15 4.15 -1.23 0.14 115.11 121.52 2bur h GLN 25 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 2bur h GLN 25 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2bur h GLN 25 CO -0.09 0.01 0.00 0.00 -1.93 0.00 0.00 178.83 176.82 2bur n ALA 26 N -2.10 2.36 -3.36 3.38 0.00 -0.47 -4.98 120.51 115.34 2bur n ALA 26 Ca -0.01 -1.29 -0.18 0.00 0.00 0.00 0.00 53.44 51.96 2bur n ALA 26 Cb 0.18 -0.85 0.07 0.00 0.00 0.00 0.00 19.45 18.86 2bur n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bur n ASN 27 N 1.46 -4.00 -4.03 0.00 3.02 0.50 -5.02 115.26 107.20 2bur n ASN 27 Ca 0.23 -0.51 -0.31 0.00 -0.03 0.00 0.00 54.58 53.95 2bur n ASN 27 Cb 0.60 -4.52 -0.16 0.00 -0.61 0.00 0.00 39.78 35.09 2bur n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bur s ILE 28 N -3.30 1.88 -0.91 2.41 1.01 -0.07 -5.00 121.20 117.23 2bur s ILE 28 Ca 0.27 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 2bur s ILE 28 Cb -0.12 -1.95 0.23 0.00 0.01 0.00 0.00 42.46 40.64 2bur s ILE 28 CO 0.64 0.12 0.85 -1.61 0.00 0.00 0.00 174.94 174.94 2bur s GLU 29 N 1.27 3.65 -0.01 2.79 2.02 -1.26 -3.85 118.70 123.32 2bur s GLU 29 Ca -0.04 -2.84 0.07 0.00 0.02 0.00 0.00 54.97 52.18 2bur s GLU 29 Cb -0.17 -4.33 -0.11 0.00 0.10 0.00 0.00 34.13 29.62 2bur s GLU 29 CO -0.07 -1.26 0.16 1.55 0.02 0.00 0.00 175.26 175.66 2bur n VAL 30 N 3.25 0.00 -4.45 2.63 3.14 -1.26 -5.01 118.33 116.64 2bur n VAL 30 Ca 0.18 -0.17 -0.34 0.00 -2.96 0.00 0.00 64.34 61.05 2bur n VAL 30 Cb 0.42 0.36 -0.10 0.00 -1.06 0.00 0.00 33.84 33.46 2bur n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2bur s PHE 31 N -2.46 3.08 -0.08 1.45 2.99 -1.26 -5.02 117.98 116.68 2bur s PHE 31 Ca -0.02 0.12 -0.26 0.00 0.00 0.00 0.00 56.93 56.77 2bur s PHE 31 Cb 0.04 -1.75 -0.25 0.00 0.00 0.00 0.00 43.02 41.07 2bur s PHE 31 CO 0.29 0.42 0.94 1.49 -0.00 0.00 0.00 175.22 178.37 2bur h GLU 32 N 5.09 0.10 -5.08 0.44 4.81 -2.02 -3.42 114.58 114.50 2bur h GLU 32 Ca -0.50 -0.12 -0.63 0.00 -0.13 0.00 0.00 59.36 57.98 2bur h GLU 32 Cb 1.18 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 2bur h GLU 32 CO 0.54 0.93 -0.40 -1.58 -0.73 0.00 0.00 179.01 177.77 2bur s HIS 33 N -2.85 3.27 -0.15 0.92 2.46 -1.26 -5.07 115.29 112.61 2bur s HIS 33 Ca -0.17 0.29 -0.01 0.00 0.47 0.00 0.00 55.06 55.64 2bur s HIS 33 Cb -0.01 -2.42 -0.01 0.00 -0.13 0.00 0.00 32.58 30.01 2bur s HIS 33 CO 0.72 -0.10 -0.11 -0.80 -2.47 0.00 0.00 174.74 171.98 2bur s ASN 34 N 1.45 4.08 0.33 9.88 0.01 -1.26 -5.10 114.94 124.33 2bur s ASN 34 Ca 0.11 -0.33 -0.28 0.00 -0.71 0.00 0.00 52.86 51.64 2bur s ASN 34 Cb -0.15 -1.64 -0.09 0.00 0.41 0.00 0.00 41.25 39.77 2bur s ASN 34 CO 0.09 0.13 1.17 -0.76 -1.51 0.00 0.00 177.10 176.22 2bur s LEU 35 N 0.57 4.42 0.00 0.60 1.43 -1.26 -5.01 118.68 119.43 2bur s LEU 35 Ca -0.07 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2bur s LEU 35 Cb -0.15 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2bur s LEU 35 CO 0.03 -0.39 0.00 -0.90 0.23 0.00 0.00 176.35 175.33 2bur n ASP 36 N 0.78 0.00 -1.73 2.29 5.68 -1.26 -4.90 116.55 117.41 2bur n ASP 36 Ca 0.01 -0.49 0.07 0.00 -0.50 0.00 0.00 54.79 53.88 2bur n ASP 36 Cb 0.44 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.80 2bur n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2bur n ASN 37 N -1.11 5.18 -4.16 -1.12 6.94 -0.97 -1.51 115.26 118.52 2bur n ASN 37 Ca 0.00 -2.72 -0.37 0.00 -0.02 0.00 0.00 54.58 51.47 2bur n ASN 37 Cb 0.00 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.67 2bur n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2bur s ASN 38 N -0.79 5.29 0.00 0.53 3.04 -1.26 -1.46 114.94 120.29 2bur s ASN 38 Ca 0.51 -1.82 0.26 0.00 0.04 0.00 0.00 52.86 51.85 2bur s ASN 38 Cb 0.37 -1.85 0.61 0.00 -1.54 0.00 0.00 41.25 38.84 2bur s ASN 38 CO 0.18 -0.51 1.48 0.18 -3.04 0.00 0.00 177.10 175.39 2bur n LEU 39 N 4.67 1.39 -4.58 3.21 4.32 -0.20 -4.85 117.00 120.95 2bur n LEU 39 Ca -0.06 -0.43 -0.41 0.00 -0.02 0.00 0.00 56.01 55.10 2bur n LEU 39 Cb 0.42 -0.07 -0.08 0.00 -1.62 0.00 0.00 43.42 42.07 2bur n LEU 39 CO 0.34 0.25 0.24 -0.69 -1.22 0.00 0.00 177.39 176.31 2bur s VAL 40 N -2.40 5.03 0.46 4.08 1.01 -1.25 -4.63 120.40 122.70 2bur s VAL 40 Ca 0.25 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.86 2bur s VAL 40 Cb 0.19 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2bur s VAL 40 CO 0.50 -0.10 0.63 -1.10 0.00 0.00 0.00 175.10 175.03 2bur s GLN 41 N 2.38 2.75 0.24 2.72 -0.21 -1.26 -4.99 119.66 121.29 2bur s GLN 41 Ca 0.20 -1.09 -0.06 0.00 0.02 0.00 0.00 55.36 54.42 2bur s GLN 41 Cb -0.15 -2.68 0.28 0.00 1.00 0.00 0.00 33.01 31.46 2bur s GLN 41 CO 0.12 -0.40 1.89 0.38 -2.12 0.00 0.00 175.29 175.16 2bur h ASP 42 N 0.47 0.99 -0.49 5.90 2.03 -1.97 -2.38 116.42 120.97 2bur h ASP 42 Ca -0.41 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2bur h ASP 42 Cb 1.28 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2bur h ASP 42 CO 0.47 0.68 0.00 0.59 -1.03 0.00 0.00 179.24 179.96 2bur n ASN 43 N -4.50 2.64 -4.76 4.15 4.13 -1.26 -4.95 115.26 110.71 2bur n ASN 43 Ca 0.12 -2.00 -0.41 0.00 1.68 0.00 0.00 54.58 53.97 2bur n ASN 43 Cb 0.08 -0.33 -0.02 0.00 -1.54 0.00 0.00 39.78 37.98 2bur n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2bur s THR 44 N -1.35 2.62 0.26 3.41 2.01 -0.90 -4.86 115.64 116.83 2bur s THR 44 Ca 0.33 0.55 -0.14 0.00 0.31 0.00 0.00 61.69 62.74 2bur s THR 44 Cb 0.17 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.25 2bur s THR 44 CO 0.23 0.11 0.67 -1.10 -0.69 0.00 0.00 174.62 173.83 2bur s GLN 45 N -0.96 3.99 0.00 4.92 -0.21 -1.26 -4.91 119.66 121.23 2bur s GLN 45 Ca 0.56 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.52 2bur s GLN 45 Cb -0.42 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 30.97 2bur s GLN 45 CO 0.48 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 174.34 2bur n GLY 46 N 0.02 1.96 3.70 3.09 0.00 -1.26 -4.50 105.19 108.21 2bur n GLY 46 Ca 0.01 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 2bur n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bur s GLN 47 N -1.68 4.36 0.20 1.61 -2.07 -1.26 -4.96 119.66 115.87 2bur s GLN 47 Ca 0.00 0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 54.04 2bur s GLN 47 Cb 0.00 -3.49 -0.09 0.00 -1.09 0.00 0.00 33.01 28.35 2bur s GLN 47 CO 0.00 -0.04 1.28 1.03 -1.32 0.00 0.00 175.29 176.25 2bur s ARG 48 N 1.17 4.41 0.05 9.60 3.00 -1.26 -1.41 118.95 134.51 2bur s ARG 48 Ca 0.35 2.02 -0.01 0.00 0.00 0.00 0.00 55.73 58.09 2bur s ARG 48 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 34.95 31.54 2bur s ARG 48 CO 0.15 -0.21 -0.03 0.96 0.00 0.00 0.00 175.30 176.17 2bur s ILE 49 N 0.01 0.25 -0.12 1.52 -4.36 -0.07 -4.50 121.20 113.93 2bur s ILE 49 Ca 0.55 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 2bur s ILE 49 Cb -0.36 -1.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.83 2bur s ILE 49 CO 0.38 -0.99 -0.15 -0.60 0.24 0.00 0.00 174.94 173.83 2bur s ARG 50 N -3.88 3.25 -0.17 0.37 3.52 -0.38 -1.34 118.95 120.31 2bur s ARG 50 Ca 0.07 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 2bur s ARG 50 Cb 0.08 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 2bur s ARG 50 CO -0.10 0.25 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.40 2bur s LEU 51 N 0.23 2.88 0.08 -0.88 2.96 -0.35 -0.29 118.68 123.31 2bur s LEU 51 Ca -0.10 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2bur s LEU 51 Cb -0.16 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 2bur s LEU 51 CO 0.06 0.09 0.18 -1.83 -1.32 0.00 0.00 176.35 173.52 2bur s GLU 52 N 0.84 0.82 0.00 1.98 -1.05 -0.66 -0.78 118.70 119.85 2bur s GLU 52 Ca -0.02 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 2bur s GLU 52 Cb -0.15 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2bur s GLU 52 CO 0.01 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.38 2bur n GLY 53 N -0.00 -1.05 3.20 -3.83 0.00 -0.94 -0.69 105.19 101.89 2bur n GLY 53 Ca -0.15 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2bur n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bur s GLN 54 N -0.62 0.94 -0.14 1.61 -0.21 -1.26 -1.52 119.66 118.46 2bur s GLN 54 Ca 0.00 -1.40 -0.00 0.00 0.02 0.00 0.00 55.36 53.98 2bur s GLN 54 Cb 0.00 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.65 2bur s GLN 54 CO 0.00 -0.00 -0.12 0.08 -2.12 0.00 0.00 175.29 173.12 2bur s VAL 55 N -3.53 3.06 0.02 1.09 1.01 -1.26 -1.30 120.40 119.48 2bur s VAL 55 Ca 0.15 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2bur s VAL 55 Cb 0.05 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2bur s VAL 55 CO -0.02 0.51 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 2bur s PHE 56 N 0.49 2.83 0.14 5.22 0.40 0.15 -0.55 117.98 126.65 2bur s PHE 56 Ca -0.09 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2bur s PHE 56 Cb -0.16 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.83 2bur s PHE 56 CO 0.04 0.36 0.19 -0.40 0.70 0.00 0.00 175.22 176.11 2bur n ASP 57 N 1.49 0.19 0.03 1.36 5.68 0.08 -1.65 116.55 123.73 2bur n ASP 57 Ca -0.15 -1.18 0.08 0.00 -0.50 0.00 0.00 54.79 53.04 2bur n ASP 57 Cb 0.52 -0.13 0.33 0.00 -1.14 0.00 0.00 41.12 40.71 2bur n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bur n GLY 58 N 3.61 -1.02 0.57 6.12 0.00 -1.26 -1.58 105.19 111.63 2bur n GLY 58 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2bur n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bur n LEU 59 N -1.67 2.01 0.00 0.99 4.77 -1.26 -4.89 117.00 116.95 2bur n LEU 59 Ca 0.03 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2bur n LEU 59 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2bur n LEU 59 CO 0.14 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2bur n GLY 60 N 1.34 0.72 3.88 -0.72 0.00 -0.61 -5.07 105.19 104.73 2bur n GLY 60 Ca 0.13 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2bur n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bur s LEU 61 N 0.00 4.39 0.51 0.99 1.43 -1.26 -4.80 118.68 119.94 2bur s LEU 61 Ca 0.00 0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 53.41 2bur s LEU 61 Cb 0.00 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2bur s LEU 61 CO 0.00 0.35 1.13 -2.16 0.23 0.00 0.00 176.35 175.90 2bur s PRO 62 N -1.29 3.54 -0.19 1.29 0.04 -1.26 -0.74 135.00 136.39 2bur s PRO 62 Ca 0.20 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 2bur s PRO 62 Cb -0.13 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 2bur s PRO 62 CO 0.09 -0.70 0.78 -0.51 0.04 0.00 0.00 177.00 176.70 2bur s LEU 63 N -3.51 4.15 -0.01 -3.56 1.02 0.28 -4.84 118.68 112.22 2bur s LEU 63 Ca 0.69 1.07 0.20 0.00 0.02 0.00 0.00 54.13 56.11 2bur s LEU 63 Cb -0.24 -3.14 0.60 0.00 0.02 0.00 0.00 46.19 43.43 2bur s LEU 63 CO 0.28 -0.38 1.50 0.54 0.02 0.00 0.00 176.35 178.32 2bur n ARG 64 N 5.28 2.82 -0.25 1.70 1.74 -1.26 -4.22 116.66 122.47 2bur n ARG 64 Ca 0.03 -2.59 0.06 0.00 -0.77 0.00 0.00 57.85 54.58 2bur n ARG 64 Cb 0.49 -1.55 0.09 0.00 -1.02 0.00 0.00 32.46 30.47 2bur n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bur n ASP 65 N 1.43 1.44 -4.82 0.55 5.68 -1.26 -4.26 116.55 115.31 2bur n ASP 65 Ca 0.23 -2.67 -0.35 0.00 -0.50 0.00 0.00 54.79 51.49 2bur n ASP 65 Cb 0.61 -0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 2bur n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bur s VAL 66 N -1.76 4.48 -0.08 2.12 0.11 -1.26 -4.62 120.40 119.39 2bur s VAL 66 Ca 0.20 1.36 0.04 0.00 -2.93 0.00 0.00 61.98 60.65 2bur s VAL 66 Cb 0.17 -3.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 2bur s VAL 66 CO 0.02 0.00 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.35 2bur s LEU 67 N -2.46 2.23 -0.02 2.54 2.96 -0.09 -2.18 118.68 121.66 2bur s LEU 67 Ca 0.51 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2bur s LEU 67 Cb -0.14 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2bur s LEU 67 CO 0.19 0.22 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.62 2bur s ILE 68 N 0.00 1.49 0.11 6.68 -1.09 0.06 -1.22 121.20 127.24 2bur s ILE 68 Ca -0.08 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 57.61 2bur s ILE 68 Cb -0.15 -1.24 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 2bur s ILE 68 CO 0.05 0.42 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.41 2bur s GLU 69 N -0.38 1.03 0.11 2.79 2.02 -0.50 -0.82 118.70 122.95 2bur s GLU 69 Ca 0.06 -1.18 0.06 0.00 0.02 0.00 0.00 54.97 53.93 2bur s GLU 69 Cb -0.08 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 2bur s GLU 69 CO -0.00 0.22 -0.15 0.96 0.02 0.00 0.00 175.26 176.31 2bur s ILE 70 N -1.72 1.34 -0.03 -1.63 -4.36 -0.87 -1.17 121.20 112.76 2bur s ILE 70 Ca 0.07 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2bur s ILE 70 Cb -0.07 -1.45 0.03 0.00 1.25 0.00 0.00 42.46 42.22 2bur s ILE 70 CO 0.04 -0.33 0.01 0.86 0.24 0.00 0.00 174.94 175.75 2bur s TRP 71 N -1.84 0.24 0.27 1.37 -0.00 -0.13 -2.46 118.94 116.38 2bur s TRP 71 Ca 0.07 0.04 -0.16 0.00 -0.00 0.00 0.00 56.10 56.04 2bur s TRP 71 Cb -0.07 -0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.05 2bur s TRP 71 CO 0.03 -0.12 0.60 1.14 -0.00 0.00 0.00 176.95 178.60 2bur s GLN 72 N 1.05 1.71 0.63 5.86 -2.07 -0.33 -1.50 119.66 125.01 2bur s GLN 72 Ca -0.09 -1.17 -0.03 0.00 -1.82 0.00 0.00 55.36 52.25 2bur s GLN 72 Cb -0.13 0.54 0.05 0.00 -1.09 0.00 0.00 33.01 32.37 2bur s GLN 72 CO -0.02 -0.75 0.90 0.00 -1.32 0.00 0.00 175.29 174.10 2bur s ALA 73 N -3.84 3.52 1.00 2.60 0.00 -1.26 -4.61 121.76 119.17 2bur s ALA 73 Ca 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2bur s ALA 73 Cb -0.03 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2bur s ALA 73 CO 0.09 -1.04 0.00 -0.40 0.00 0.00 0.00 175.76 174.40 2bur n ASP 74 N -2.65 -0.07 0.29 0.00 5.68 0.06 -4.56 116.55 115.31 2bur n ASP 74 Ca 0.08 -0.84 0.17 0.00 -0.50 0.00 0.00 54.79 53.70 2bur n ASP 74 Cb 0.60 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.46 2bur n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bur h THR 75 N -0.92 0.24 -0.67 2.12 1.03 -1.80 -1.11 112.91 111.81 2bur h THR 75 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 2bur h THR 75 Cb 0.00 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2bur h THR 75 CO 0.00 0.05 0.00 0.59 -0.01 0.00 0.00 175.52 176.15 2bur n ASN 76 N -3.33 3.88 -0.40 0.00 3.02 -1.26 -3.18 115.26 113.98 2bur n ASN 76 Ca -0.02 -2.00 -0.04 0.00 -0.03 0.00 0.00 54.58 52.50 2bur n ASN 76 Cb 0.20 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2bur n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bur n GLY 77 N 1.65 0.25 3.47 7.41 0.00 -0.52 -4.74 105.19 112.71 2bur n GLY 77 Ca 0.24 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 2bur n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bur s VAL 78 N -2.18 3.26 0.04 1.61 1.01 -1.26 -4.58 120.40 118.30 2bur s VAL 78 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2bur s VAL 78 Cb 0.00 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 2bur s VAL 78 CO 0.00 0.57 0.68 -0.31 0.00 0.00 0.00 175.10 176.03 2bur s TYR 79 N -0.38 3.73 -1.43 5.22 1.51 -1.26 -0.76 117.35 123.99 2bur s TYR 79 Ca 0.04 1.35 -0.14 0.00 -1.01 0.00 0.00 57.07 57.32 2bur s TYR 79 Cb -0.12 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.05 2bur s TYR 79 CO 0.02 0.35 2.26 -0.35 -1.11 0.00 0.00 175.55 176.73 2bur n PRO 80 N 2.58 2.82 -3.79 -1.71 -0.04 -1.26 -4.71 135.00 128.89 2bur n PRO 80 Ca -0.05 -2.53 -0.13 0.00 -0.04 0.00 0.00 63.50 60.76 2bur n PRO 80 Cb 0.50 -3.23 -0.11 0.00 -0.04 0.00 0.00 33.50 30.62 2bur n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bur s SER 81 N 3.24 -0.23 0.60 3.54 0.15 -1.26 -4.96 113.70 114.77 2bur s SER 81 Ca 0.49 0.41 0.40 0.00 0.70 0.00 0.00 55.95 57.95 2bur s SER 81 Cb 0.14 0.47 2.12 0.00 -1.71 0.00 0.00 66.02 67.04 2bur s SER 81 CO -0.08 -0.14 2.22 1.56 1.20 0.00 0.00 173.24 178.00 2bur h GLN 82 N 5.48 0.00 -0.01 5.44 4.20 -2.05 -0.90 115.11 127.27 2bur h GLN 82 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2bur h GLN 82 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2bur h GLN 82 CO 0.36 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.47 2bur n ALA 83 N -2.03 2.69 -2.55 3.87 0.00 -1.26 -4.78 120.51 116.45 2bur n ALA 83 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2bur n ALA 83 Cb 0.09 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2bur n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bur s ASP 84 N -2.22 7.12 -0.11 0.00 2.15 -0.35 -4.91 116.67 118.35 2bur s ASP 84 Ca 0.37 1.68 0.17 0.00 0.43 0.00 0.00 52.55 55.19 2bur s ASP 84 Cb 0.21 -2.56 0.62 0.00 -0.30 0.00 0.00 42.92 40.90 2bur s ASP 84 CO 0.41 -0.54 1.54 0.35 -0.17 0.00 0.00 175.17 176.75 2bur n THR 85 N 4.66 1.82 0.41 1.71 -2.24 -1.26 -4.58 114.28 114.80 2bur n THR 85 Ca 0.10 -1.30 0.13 0.00 -2.27 0.00 0.00 64.05 60.71 2bur n THR 85 Cb 0.47 0.11 0.50 0.00 -2.10 0.00 0.00 70.33 69.30 2bur n THR 85 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2bur h GLN 86 N 3.34 0.00 0.00 -0.78 4.20 -1.99 -3.46 115.11 116.42 2bur h GLN 86 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bur h GLN 86 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2bur h GLN 86 CO 0.20 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 2bur n GLY 87 N 0.18 0.35 3.88 3.46 0.00 -1.26 -5.00 105.19 106.80 2bur n GLY 87 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2bur n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bur s LYS 88 N -0.65 3.20 0.00 1.61 1.02 -1.26 -5.08 119.74 118.58 2bur s LYS 88 Ca 0.00 -0.70 -0.26 0.00 0.02 0.00 0.00 55.97 55.03 2bur s LYS 88 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2bur s LYS 88 CO 0.00 0.51 0.82 -1.14 -0.92 0.00 0.00 175.35 174.62 2bur s GLN 88 N -3.12 4.51 0.45 1.68 0.74 -1.26 -5.05 119.66 117.62 2bur s GLN 88 Ca 0.33 1.13 -0.08 0.00 0.05 0.00 0.00 55.36 56.79 2bur s GLN 88 Cb -0.11 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 2bur s GLN 88 CO 0.26 0.11 0.79 0.54 -0.55 0.00 0.00 175.29 176.44 2bur s VAL 88 N 0.53 4.85 0.10 1.34 0.11 -1.26 -4.99 120.40 121.08 2bur s VAL 88 Ca 0.42 0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 59.56 2bur s VAL 88 Cb -0.20 -3.81 -0.10 0.00 -1.53 0.00 0.00 36.38 30.74 2bur s VAL 88 CO 0.23 -0.73 1.87 -0.67 -3.33 0.00 0.00 175.10 172.48 2bur n ASP 88 N -1.88 4.06 0.00 3.54 -0.08 -1.26 -4.86 116.55 116.06 2bur n ASP 88 Ca 0.01 0.97 0.10 0.00 -1.51 0.00 0.00 54.79 54.37 2bur n ASP 88 Cb 0.55 -1.54 0.51 0.00 2.34 0.00 0.00 41.12 42.98 2bur n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bur n PRO 88 N 6.08 0.22 -2.34 -0.67 -0.04 -1.26 -3.50 135.00 133.48 2bur n PRO 88 Ca 0.19 0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 2bur n PRO 88 Cb 0.38 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 2bur n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bur n ASN 88 N -1.35 5.04 -3.58 3.54 3.02 -1.26 -4.97 115.26 115.71 2bur n ASN 88 Ca 0.09 -3.74 -0.09 0.00 -0.03 0.00 0.00 54.58 50.81 2bur n ASN 88 Cb 0.19 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 2bur n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2bur s PHE 89 N -3.60 -0.76 0.13 3.10 5.36 -1.23 -4.33 117.98 116.66 2bur s PHE 89 Ca 0.49 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 2bur s PHE 89 Cb 0.41 0.18 -0.12 0.00 -0.34 0.00 0.00 43.02 43.16 2bur s PHE 89 CO -0.17 -0.53 1.29 1.25 -1.46 0.00 0.00 175.22 175.60 2bur h LEU 90 N 8.19 0.31 0.00 6.12 5.85 -1.91 -3.44 115.31 130.42 2bur h LEU 90 Ca -0.16 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2bur h LEU 90 Cb 1.12 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2bur h LEU 90 CO 0.16 1.13 0.00 0.61 -0.34 0.00 0.00 178.44 180.00 2bur n GLY 91 N 1.11 2.12 3.18 3.75 0.00 -1.26 -4.76 105.19 109.33 2bur n GLY 91 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2bur n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2bur s TRP 92 N -3.00 1.29 0.20 1.61 -0.00 -1.26 -1.19 118.94 116.59 2bur s TRP 92 Ca 0.00 -0.42 -0.15 0.00 -0.00 0.00 0.00 56.10 55.52 2bur s TRP 92 Cb 0.00 -0.73 0.02 0.00 -0.00 0.00 0.00 33.47 32.75 2bur s TRP 92 CO 0.00 0.07 0.48 0.20 -0.00 0.00 0.00 176.95 177.70 2bur s GLY 93 N -1.58 0.12 0.00 5.86 0.00 -1.03 -4.80 107.32 105.89 2bur s GLY 93 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 2bur s GLY 93 CO 0.02 -0.42 0.00 -1.60 0.00 0.00 0.00 173.10 171.11 2bur s ARG 94 N -3.92 0.06 0.20 2.90 3.52 -0.57 -2.06 118.95 119.08 2bur s ARG 94 Ca 0.13 -0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.52 2bur s ARG 94 Cb -0.00 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 2bur s ARG 94 CO 0.00 -0.01 0.39 -0.08 -0.81 0.00 0.00 175.30 174.80 2bur s THR 95 N -0.25 0.04 0.13 4.11 -1.32 -0.00 -2.28 115.64 116.07 2bur s THR 95 Ca -0.03 -1.25 0.09 0.00 -1.21 0.00 0.00 61.69 59.29 2bur s THR 95 Cb -0.02 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 2bur s THR 95 CO -0.00 -0.16 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.21 2bur s GLY 96 N -2.96 1.33 0.52 6.08 0.00 -1.26 -0.76 107.32 110.27 2bur s GLY 96 Ca 0.17 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 2bur s GLY 96 CO 0.02 -1.40 1.10 0.00 0.00 0.00 0.00 173.10 172.82 2bur s ALA 97 N -1.55 2.76 0.25 3.20 0.00 -0.93 -4.68 121.76 120.81 2bur s ALA 97 Ca 0.11 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2bur s ALA 97 Cb -0.08 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2bur s ALA 97 CO 0.05 -0.61 1.44 0.34 0.00 0.00 0.00 175.76 176.98 2bur s ASP 98 N -1.84 6.65 0.59 0.00 2.15 -0.10 -4.80 116.67 119.33 2bur s ASP 98 Ca 0.71 2.67 0.30 0.00 0.43 0.00 0.00 52.55 56.66 2bur s ASP 98 Cb -0.21 -2.62 1.83 0.00 -0.30 0.00 0.00 42.92 41.62 2bur s ASP 98 CO 0.25 -0.70 2.25 -0.26 -0.17 0.00 0.00 175.17 176.54 2bur h PHE 99 N 4.98 0.00 0.00 -5.34 0.05 -1.92 -0.30 116.94 114.40 2bur h PHE 99 Ca -0.46 0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.09 2bur h PHE 99 Cb 1.22 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.13 2bur h PHE 99 CO 0.60 0.00 -1.48 0.41 -0.18 0.00 0.00 178.31 177.66 2bur n GLY 100 N -1.32 -0.72 0.09 -1.45 0.00 -1.26 -4.70 105.19 95.83 2bur n GLY 100 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 2bur n GLY 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bur h THR 101 N -1.00 0.68 0.00 2.61 1.35 -1.97 -3.48 112.91 111.10 2bur h THR 101 Ca -0.36 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2bur h THR 101 Cb 1.23 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 2bur h THR 101 CO -0.22 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 2bur n GLY 102 N 1.44 0.98 3.77 5.82 0.00 -0.13 -4.94 105.19 112.13 2bur n GLY 102 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2bur n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bur s PHE 103 N -3.03 3.36 0.17 1.61 0.40 -1.26 -4.40 117.98 114.83 2bur s PHE 103 Ca 0.00 1.63 0.07 0.00 -0.60 0.00 0.00 56.93 58.03 2bur s PHE 103 Cb 0.00 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 2bur s PHE 103 CO 0.00 -0.85 -0.14 1.67 0.70 0.00 0.00 175.22 176.60 2bur s TRP 104 N -1.31 1.59 0.16 0.36 1.48 -0.58 -0.92 118.94 119.72 2bur s TRP 104 Ca 0.50 -0.59 -0.20 0.00 -1.06 0.00 0.00 56.10 54.75 2bur s TRP 104 Cb -0.31 -0.77 0.05 0.00 -1.16 0.00 0.00 33.47 31.29 2bur s TRP 104 CO 0.39 0.26 0.53 -1.54 -4.06 0.00 0.00 176.95 172.54 2bur s SER 105 N -3.02 -0.42 0.05 -2.66 1.04 -1.26 -2.20 113.70 105.22 2bur s SER 105 Ca 0.18 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2bur s SER 105 Cb -0.02 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2bur s SER 105 CO 0.05 -0.95 -0.09 -0.36 0.98 0.00 0.00 173.24 172.87 2bur s PHE 106 N -3.79 0.75 -0.26 5.02 0.40 0.04 -4.87 117.98 115.28 2bur s PHE 106 Ca 0.03 -0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 2bur s PHE 106 Cb -0.00 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 43.07 2bur s PHE 106 CO -0.11 -0.07 0.05 -0.80 0.70 0.00 0.00 175.22 175.00 2bur s ASN 107 N -1.66 4.98 0.00 1.36 0.01 -0.54 -1.21 114.94 117.87 2bur s ASN 107 Ca -0.08 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 2bur s ASN 107 Cb -0.09 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.69 2bur s ASN 107 CO 0.00 -0.09 0.00 1.07 -1.51 0.00 0.00 177.10 176.57 2bur n THR 108 N 4.88 0.00 -4.39 1.60 5.66 -0.45 -1.03 114.28 120.55 2bur n THR 108 Ca -0.16 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.60 2bur n THR 108 Cb 0.50 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 2bur n THR 108 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2bur s ILE 109 N -1.34 1.68 -0.07 1.09 1.09 -1.26 -0.89 121.20 121.50 2bur s ILE 109 Ca 0.00 -1.43 -0.30 0.00 -1.10 0.00 0.00 60.65 57.82 2bur s ILE 109 Cb 0.00 -1.51 -0.04 0.00 -1.06 0.00 0.00 42.46 39.85 2bur s ILE 109 CO 0.00 0.02 1.37 -0.75 -0.10 0.00 0.00 174.94 175.48 2bur s LYS 110 N -1.68 4.26 0.60 2.79 2.20 -0.50 -4.84 119.74 122.56 2bur s LYS 110 Ca 0.07 1.86 -0.17 0.00 -0.36 0.00 0.00 55.97 57.37 2bur s LYS 110 Cb -0.10 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 2bur s LYS 110 CO 0.03 -0.64 1.09 -1.25 -0.36 0.00 0.00 175.35 174.22 2bur s PRO 111 N 2.99 3.18 0.72 4.03 0.04 -1.26 -4.55 135.00 140.15 2bur s PRO 111 Ca 0.61 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 2bur s PRO 111 Cb -0.28 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2bur s PRO 111 CO 0.23 -0.95 1.06 0.20 0.04 0.00 0.00 177.00 177.58 2bur s GLY 112 N -2.41 1.63 0.32 0.56 0.00 -0.61 -4.71 107.32 102.10 2bur s GLY 112 Ca 0.67 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 2bur s GLY 112 CO 0.35 -0.28 1.27 0.00 0.00 0.00 0.00 173.10 174.44 2bur s ALA 113 N -3.32 3.48 0.04 3.20 0.00 -1.26 -4.16 121.76 119.73 2bur s ALA 113 Ca 0.59 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.79 2bur s ALA 113 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2bur s ALA 113 CO 0.48 -0.54 -0.13 0.08 0.00 0.00 0.00 175.76 175.64 2bur s VAL 114 N -1.10 3.15 0.45 0.00 1.01 -1.24 -4.33 120.40 118.34 2bur s VAL 114 Ca 0.48 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 2bur s VAL 114 Cb -0.38 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 2bur s VAL 114 CO 0.50 0.32 1.36 -2.65 0.00 0.00 0.00 175.10 174.63 2bur n PRO 115 N 1.44 2.06 -1.49 2.72 -0.02 -1.26 -0.78 135.00 137.66 2bur n PRO 115 Ca -0.15 0.74 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 2bur n PRO 115 Cb 0.52 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 2bur n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bur n GLY 116 N 0.70 2.34 3.80 -1.23 0.00 0.16 -4.60 105.19 106.36 2bur n GLY 116 Ca 0.06 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 2bur n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bur s ARG 117 N -2.36 3.23 -1.33 1.61 0.52 -1.26 -3.91 118.95 115.45 2bur s ARG 117 Ca 0.07 1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 56.40 2bur s ARG 117 Cb -0.01 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.44 2bur s ARG 117 CO 0.05 -0.88 0.55 1.63 0.02 0.00 0.00 175.30 176.66 2bur n LYS 118 N -2.24 -3.19 -1.04 3.54 5.02 -1.26 -1.77 118.16 117.23 2bur n LYS 118 Ca 0.09 0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 56.82 2bur n LYS 118 Cb 0.53 -4.57 -0.01 0.00 -0.02 0.00 0.00 35.03 30.97 2bur n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bur n GLY 119 N -1.84 0.34 3.96 0.72 0.00 -1.26 -5.01 105.19 102.10 2bur n GLY 119 Ca -0.27 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 2bur n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bur s SER 120 N -2.09 4.72 -0.10 1.61 1.04 -0.73 -4.90 113.70 113.25 2bur s SER 120 Ca 0.00 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.56 2bur s SER 120 Cb 0.00 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.42 2bur s SER 120 CO 0.00 -1.61 -0.19 -0.89 0.98 0.00 0.00 173.24 171.53 2bur s THR 121 N -3.12 1.74 0.25 2.02 2.01 -1.26 0.40 115.64 117.67 2bur s THR 121 Ca 0.62 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 2bur s THR 121 Cb -0.09 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 2bur s THR 121 CO 0.43 0.49 0.73 -1.10 -0.69 0.00 0.00 174.62 174.48 2bur s GLN 122 N 0.58 4.18 0.70 4.92 -0.21 0.04 -4.58 119.66 125.30 2bur s GLN 122 Ca -0.15 0.82 -0.13 0.00 0.02 0.00 0.00 55.36 55.92 2bur s GLN 122 Cb -0.17 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.11 2bur s GLN 122 CO 0.05 0.32 1.09 0.00 -2.12 0.00 0.00 175.29 174.64 2bur s ALA 123 N -1.66 2.42 0.22 6.09 0.00 -1.26 -3.66 121.76 123.90 2bur s ALA 123 Ca 0.46 0.39 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 2bur s ALA 123 Cb -0.15 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 2bur s ALA 123 CO 0.20 -1.44 1.46 -2.30 0.00 0.00 0.00 175.76 173.68 2bur n PRO 124 N -2.89 2.09 -3.53 0.00 -0.02 -1.26 -4.69 135.00 124.70 2bur n PRO 124 Ca 0.09 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2bur n PRO 124 Cb 0.53 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2bur n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2bur s HIS 125 N 0.21 -0.39 -0.08 6.00 -3.43 -1.26 -4.36 115.29 111.98 2bur s HIS 125 Ca 0.71 0.12 0.04 0.00 -0.80 0.00 0.00 55.06 55.13 2bur s HIS 125 Cb -0.65 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2bur s HIS 125 CO 0.46 -0.81 -0.21 0.42 -2.00 0.00 0.00 174.74 172.60 2bur s ILE 126 N -3.78 1.81 0.08 -5.38 1.01 -0.70 -4.66 121.20 109.57 2bur s ILE 126 Ca 0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2bur s ILE 126 Cb -0.00 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2bur s ILE 126 CO -0.12 0.50 0.82 -0.44 0.00 0.00 0.00 174.94 175.71 2bur s SER 127 N 0.30 7.31 0.01 3.58 0.01 -0.56 -0.97 113.70 123.39 2bur s SER 127 Ca -0.14 1.57 0.03 0.00 1.31 0.00 0.00 55.95 58.71 2bur s SER 127 Cb -0.16 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 2bur s SER 127 CO 0.06 0.02 -0.08 -0.22 0.41 0.00 0.00 173.24 173.44 2bur s LEU 128 N -0.20 2.10 0.03 2.44 0.20 -0.69 -0.96 118.68 121.60 2bur s LEU 128 Ca 0.40 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.98 2bur s LEU 128 Cb -0.22 -0.34 -0.02 0.00 -0.43 0.00 0.00 46.19 45.18 2bur s LEU 128 CO 0.25 0.01 -0.11 -0.51 -0.29 0.00 0.00 176.35 175.70 2bur s ILE 129 N -0.56 0.82 -0.07 6.68 2.07 -0.32 -1.02 121.20 128.80 2bur s ILE 129 Ca -0.01 -0.90 0.04 0.00 -1.41 0.00 0.00 60.65 58.37 2bur s ILE 129 Cb -0.05 -0.78 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 2bur s ILE 129 CO 0.00 -0.10 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.10 2bur s ILE 130 N -0.90 1.71 0.03 2.00 1.01 -0.59 -1.42 121.20 123.04 2bur s ILE 130 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2bur s ILE 130 Cb -0.08 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2bur s ILE 130 CO 0.01 0.48 -0.12 -0.36 0.00 0.00 0.00 174.94 174.95 2bur s PHE 131 N 0.23 1.09 -0.06 3.97 0.40 -0.35 -1.74 117.98 121.52 2bur s PHE 131 Ca -0.11 -0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 2bur s PHE 131 Cb -0.15 -0.65 0.12 0.00 0.51 0.00 0.00 43.02 42.85 2bur s PHE 131 CO 0.05 0.01 1.18 0.00 0.70 0.00 0.00 175.22 177.16 2bur s ALA 132 N -0.80 -2.06 0.37 5.36 0.00 -1.26 -0.91 121.76 122.46 2bur s ALA 132 Ca 0.01 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 2bur s ALA 132 Cb -0.07 0.21 -0.12 0.00 0.00 0.00 0.00 23.12 23.14 2bur s ALA 132 CO 0.01 -0.84 1.04 -2.13 0.00 0.00 0.00 175.76 173.84 2bur n ARG 133 N -0.31 1.44 0.00 0.00 0.63 -1.23 -1.57 116.66 115.62 2bur n ARG 133 Ca -0.05 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2bur n ARG 133 Cb 0.61 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2bur n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2bur n GLY 134 N 1.15 2.76 3.35 5.14 0.00 -1.26 -4.93 105.19 111.40 2bur n GLY 134 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2bur n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bur s ILE 135 N -2.02 4.16 0.19 -0.61 1.01 -0.61 -4.98 121.20 118.35 2bur s ILE 135 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.95 2bur s ILE 135 Cb 0.00 -3.23 -0.13 0.00 0.01 0.00 0.00 42.46 39.11 2bur s ILE 135 CO 0.00 -0.05 1.42 0.78 0.00 0.00 0.00 174.94 177.10 2bur h ASN 136 N 8.29 0.04 -3.79 3.58 2.35 -1.90 -3.35 115.58 120.79 2bur h ASN 136 Ca -0.28 -0.03 -0.37 0.00 -0.55 0.00 0.00 56.30 55.06 2bur h ASN 136 Cb 1.12 -0.01 -0.30 0.00 0.05 0.00 0.00 38.32 39.17 2bur h ASN 136 CO 0.62 0.85 -0.77 -0.63 -1.65 0.00 0.00 177.43 175.85 2bur s ILE 137 N -3.13 0.55 0.21 2.81 1.01 -1.26 -3.22 121.20 118.17 2bur s ILE 137 Ca -0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 2bur s ILE 137 Cb 0.11 -0.50 -0.15 0.00 0.01 0.00 0.00 42.46 41.93 2bur s ILE 137 CO 0.80 0.18 1.13 0.61 0.00 0.00 0.00 174.94 177.66 2bur n GLY 138 N 3.30 0.00 3.70 6.18 0.00 -1.26 -4.93 105.19 112.18 2bur n GLY 138 Ca -0.18 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 2bur n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bur s LEU 139 N 0.59 4.19 -0.10 0.99 1.43 -0.71 -4.89 118.68 120.19 2bur s LEU 139 Ca 0.69 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 54.10 2bur s LEU 139 Cb -0.79 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 2bur s LEU 139 CO 0.54 0.04 0.23 -1.00 0.23 0.00 0.00 176.35 176.39 2bur s HIS 140 N 0.84 3.61 0.28 0.29 3.76 -1.26 -1.54 115.29 121.27 2bur s HIS 140 Ca 0.15 0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 55.69 2bur s HIS 140 Cb -0.13 -2.09 0.01 0.00 1.11 0.00 0.00 32.58 31.48 2bur s HIS 140 CO 0.05 0.64 0.41 -2.37 -0.85 0.00 0.00 174.74 172.61 2bur n THR 141 N 2.18 0.00 -4.16 1.30 5.66 -0.19 -0.75 114.28 118.33 2bur n THR 141 Ca -0.17 -1.38 -0.13 0.00 -3.05 0.00 0.00 64.05 59.32 2bur n THR 141 Cb 0.54 0.87 -0.11 0.00 -1.55 0.00 0.00 70.33 70.08 2bur n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2bur s ARG 142 N -2.60 0.80 -0.18 1.09 0.52 -1.26 -1.71 118.95 115.62 2bur s ARG 142 Ca 0.22 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 2bur s ARG 142 Cb -0.01 -0.38 0.01 0.00 0.52 0.00 0.00 34.95 35.09 2bur s ARG 142 CO 0.16 0.04 -0.17 0.08 0.02 0.00 0.00 175.30 175.44 2bur s VAL 143 N -2.74 2.37 0.49 3.52 1.01 -0.14 -4.75 120.40 120.16 2bur s VAL 143 Ca 0.06 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2bur s VAL 143 Cb -0.01 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2bur s VAL 143 CO -0.02 0.52 0.35 -0.31 0.00 0.00 0.00 175.10 175.64 2bur s TYR 144 N 1.25 2.04 -0.09 5.22 1.51 0.63 -1.72 117.35 126.19 2bur s TYR 144 Ca 0.03 -0.72 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 2bur s TYR 144 Cb -0.14 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2bur s TYR 144 CO -0.09 -0.27 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.79 2bur s PHE 145 N -2.68 2.57 0.18 2.71 0.40 -1.26 -0.25 117.98 119.65 2bur s PHE 145 Ca 0.38 -0.85 0.35 0.00 -0.60 0.00 0.00 56.93 56.21 2bur s PHE 145 Cb -0.01 -1.69 1.67 0.00 0.51 0.00 0.00 43.02 43.49 2bur s PHE 145 CO 0.23 -0.30 2.04 0.38 0.70 0.00 0.00 175.22 178.27 2bur h ASP 146 N 6.46 0.00 -0.25 1.36 2.03 -1.64 -1.63 116.42 122.74 2bur h ASP 146 Ca -0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2bur h ASP 146 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2bur h ASP 146 CO 0.49 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.80 2bur n ASP 147 N -2.86 1.38 -2.19 4.15 3.85 -1.26 -3.61 116.55 116.01 2bur n ASP 147 Ca -0.01 -2.01 -0.25 0.00 -0.71 0.00 0.00 54.79 51.81 2bur n ASP 147 Cb 0.18 -0.18 0.02 0.00 -1.35 0.00 0.00 41.12 39.78 2bur n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2bur n GLU 148 N 0.24 3.52 -0.31 0.11 -0.58 -0.61 -4.87 120.64 118.13 2bur n GLU 148 Ca 0.08 -4.25 0.05 0.00 -0.42 0.00 0.00 57.16 52.63 2bur n GLU 148 Cb 0.22 -2.27 0.21 0.00 -0.57 0.00 0.00 31.44 29.03 2bur n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bur h ALA 149 N 2.32 1.31 -0.53 0.62 0.00 -1.75 0.87 119.26 122.09 2bur h ALA 149 Ca 0.36 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2bur h ALA 149 Cb 1.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2bur h ALA 149 CO 0.82 0.08 -0.00 1.49 0.00 0.00 0.00 179.25 181.64 2bur h GLU 150 N 0.81 0.94 -0.30 0.00 4.81 -1.93 -1.51 114.58 117.40 2bur h GLU 150 Ca 0.45 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2bur h GLU 150 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2bur h GLU 150 CO -0.28 0.96 -0.44 0.00 -0.73 0.00 0.00 179.01 178.51 2bur h ALA 151 N 0.95 0.65 -0.77 2.92 0.00 -1.80 -3.15 119.26 118.06 2bur h ALA 151 Ca 0.15 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2bur h ALA 151 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2bur h ALA 151 CO 0.03 0.67 0.26 -0.91 0.00 0.00 0.00 179.25 179.30 2bur h ASN 152 N 0.62 1.10 0.00 0.00 2.35 -0.68 -2.10 115.58 116.87 2bur h ASN 152 Ca 0.04 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2bur h ASN 152 Cb 1.01 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 2bur h ASN 152 CO 0.10 1.00 -0.00 0.00 -1.65 0.00 0.00 177.43 176.88 2bur h ALA 153 N 1.14 1.70 -0.16 -0.83 0.00 -1.23 -2.46 119.26 117.43 2bur h ALA 153 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bur h ALA 153 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bur h ALA 153 CO -0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2bur n LYS 154 N -4.11 1.98 -2.08 0.00 5.02 -0.90 -4.92 118.16 113.14 2bur n LYS 154 Ca -0.03 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 53.98 2bur n LYS 154 Cb 0.09 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 2bur n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bur s ASP 155 N -1.51 6.74 0.14 4.39 -1.08 -0.84 -4.90 116.67 119.61 2bur s ASP 155 Ca 0.27 2.36 -0.18 0.00 -0.52 0.00 0.00 52.55 54.49 2bur s ASP 155 Cb 0.18 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2bur s ASP 155 CO 0.26 -0.76 1.77 -0.65 0.52 0.00 0.00 175.17 176.31 2bur h PRO 156 N 7.43 0.29 -0.21 4.34 0.11 -1.91 -1.14 132.00 140.92 2bur h PRO 156 Ca -0.41 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2bur h PRO 156 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2bur h PRO 156 CO 0.90 0.19 -0.01 0.28 -0.21 0.00 0.00 178.00 179.15 2bur h VAL 157 N 0.30 1.26 -0.96 3.15 2.07 -1.97 -1.59 116.25 118.51 2bur h VAL 157 Ca 0.12 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2bur h VAL 157 Cb 0.05 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2bur h VAL 157 CO -0.09 0.27 0.64 -0.07 0.02 0.00 0.00 177.57 178.34 2bur h LEU 158 N 0.12 1.09 0.00 2.57 3.38 -1.88 -0.22 115.31 120.37 2bur h LEU 158 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2bur h LEU 158 Cb 0.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2bur h LEU 158 CO 0.01 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.91 2bur n ASN 159 N -4.40 0.00 -0.18 -0.43 3.02 -0.44 -2.31 115.26 110.53 2bur n ASN 159 Ca 0.12 0.31 0.14 0.00 -0.03 0.00 0.00 54.58 55.12 2bur n ASN 159 Cb 0.03 -0.43 0.58 0.00 -0.61 0.00 0.00 39.78 39.36 2bur n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2bur n SER 160 N -1.43 0.66 -4.54 6.41 3.41 -0.10 -4.66 113.62 113.39 2bur n SER 160 Ca 0.07 -0.77 -0.43 0.00 -0.26 0.00 0.00 58.87 57.48 2bur n SER 160 Cb 0.23 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2bur n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2bur s ILE 161 N -2.39 4.64 0.07 -1.33 1.01 -0.98 -4.93 121.20 117.29 2bur s ILE 161 Ca 0.30 0.39 0.30 0.00 0.00 0.00 0.00 60.65 61.64 2bur s ILE 161 Cb 0.20 -4.34 0.34 0.00 0.01 0.00 0.00 42.46 38.68 2bur s ILE 161 CO 0.46 -0.75 1.91 1.05 0.00 0.00 0.00 174.94 177.61 2bur h GLU 162 N 9.00 0.00 -5.07 2.79 4.11 -1.88 -3.37 114.58 120.17 2bur h GLU 162 Ca -0.25 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.51 2bur h GLU 162 Cb 1.08 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.16 2bur h GLU 162 CO 0.97 0.06 0.49 -1.58 0.07 0.00 0.00 179.01 179.02 2bur s TRP 163 N -3.63 2.92 0.54 2.06 0.51 -1.26 -4.89 118.94 115.19 2bur s TRP 163 Ca 0.01 -0.94 0.20 0.00 -2.12 0.00 0.00 56.10 53.25 2bur s TRP 163 Cb 0.09 -4.20 1.41 0.00 -0.81 0.00 0.00 33.47 29.96 2bur s TRP 163 CO 0.58 -1.49 2.17 0.00 -0.51 0.00 0.00 176.95 177.70 2bur h ALA 164 N 9.21 1.90 0.00 0.98 0.00 -1.98 -1.45 119.26 127.92 2bur h ALA 164 Ca -0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2bur h ALA 164 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2bur h ALA 164 CO 1.13 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 180.32 2bur h THR 165 N 0.00 0.20 0.00 0.00 1.03 -1.93 -2.68 112.91 109.52 2bur h THR 165 Ca 0.01 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 2bur h THR 165 Cb 0.02 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 2bur h THR 165 CO -0.00 0.04 -0.56 0.03 -0.01 0.00 0.00 175.52 175.02 2bur h ARG 166 N 0.00 0.00 -0.78 0.00 3.08 -1.65 -3.32 114.38 111.72 2bur h ARG 166 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2bur h ARG 166 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 2bur h ARG 166 CO 0.01 0.00 0.51 0.00 -1.07 0.00 0.00 179.97 179.41 2bur h ARG 167 N 0.00 0.71 0.00 0.04 3.08 -1.58 -1.85 114.38 114.78 2bur h ARG 167 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2bur h ARG 167 Cb 0.81 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2bur h ARG 167 CO 0.00 0.47 -0.07 -0.56 -1.07 0.00 0.00 179.97 178.74 2bur h GLN 168 N 0.73 0.00 0.00 0.04 3.07 -1.75 -1.81 115.11 115.39 2bur h GLN 168 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 2bur h GLN 168 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2bur h GLN 168 CO -0.13 0.07 0.00 0.25 0.09 0.00 0.00 178.83 179.11 2bur n THR 169 N -3.60 1.01 0.62 1.86 -2.24 -0.69 -2.13 114.28 109.11 2bur n THR 169 Ca -0.02 0.50 0.11 0.00 -2.27 0.00 0.00 64.05 62.38 2bur n THR 169 Cb 0.19 -1.47 0.26 0.00 -2.10 0.00 0.00 70.33 67.21 2bur n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bur n LEU 170 N -2.18 2.89 -4.47 3.22 4.77 -0.68 -4.80 117.00 115.74 2bur n LEU 170 Ca 0.00 -1.23 -0.37 0.00 -0.03 0.00 0.00 56.01 54.39 2bur n LEU 170 Cb 0.12 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 2bur n LEU 170 CO 0.13 0.61 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.86 2bur s VAL 171 N -1.60 4.50 0.41 4.08 1.01 -0.90 -0.27 120.40 127.62 2bur s VAL 171 Ca 0.36 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2bur s VAL 171 Cb 0.21 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2bur s VAL 171 CO 0.30 0.32 0.88 0.00 0.00 0.00 0.00 175.10 176.60 2bur s ALA 172 N 1.63 3.16 -0.23 5.51 0.00 0.66 -4.85 121.76 127.64 2bur s ALA 172 Ca 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 2bur s ALA 172 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 2bur s ALA 172 CO 0.05 0.11 0.16 0.15 0.00 0.00 0.00 175.76 176.23 2bur s LYS 173 N -3.34 4.11 0.14 0.00 1.02 -0.68 -1.66 119.74 119.34 2bur s LYS 173 Ca 0.58 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 2bur s LYS 173 Cb -0.10 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 2bur s LYS 173 CO 0.19 0.13 1.07 0.50 -0.92 0.00 0.00 175.35 176.32 2bur s ARG 174 N 0.86 4.60 0.25 1.68 3.52 -1.26 -1.26 118.95 127.34 2bur s ARG 174 Ca 0.08 1.65 0.02 0.00 -0.13 0.00 0.00 55.73 57.35 2bur s ARG 174 Cb -0.13 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2bur s ARG 174 CO 0.03 0.06 0.16 -1.21 -0.81 0.00 0.00 175.30 173.53 2bur s GLU 175 N -0.06 1.42 -0.32 5.12 2.02 0.18 -4.98 118.70 122.08 2bur s GLU 175 Ca 0.50 -1.78 -0.02 0.00 0.02 0.00 0.00 54.97 53.69 2bur s GLU 175 Cb -0.28 0.14 0.12 0.00 0.10 0.00 0.00 34.13 34.21 2bur s GLU 175 CO 0.33 -0.44 0.17 -1.21 0.02 0.00 0.00 175.26 174.12 2bur s GLU 176 N -3.93 0.36 -0.50 1.61 2.02 -1.26 -1.33 118.70 115.66 2bur s GLU 176 Ca 0.38 -0.90 -0.19 0.00 0.02 0.00 0.00 54.97 54.28 2bur s GLU 176 Cb 0.06 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 33.10 2bur s GLU 176 CO 0.16 -1.10 0.62 1.03 0.02 0.00 0.00 175.26 175.99 2bur s ARG 177 N 1.63 3.13 -0.84 1.61 3.00 -0.71 -4.61 118.95 122.15 2bur s ARG 177 Ca 0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 55.73 54.97 2bur s ARG 177 Cb -0.19 -4.09 -0.00 0.00 0.00 0.00 0.00 34.95 30.67 2bur s ARG 177 CO -0.20 -1.20 0.69 -0.25 0.00 0.00 0.00 175.30 174.35 2bur n ASP 178 N 6.16 -6.42 0.00 0.23 8.00 -1.26 -2.12 116.55 121.14 2bur n ASP 178 Ca -0.06 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2bur n ASP 178 Cb 0.46 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 2bur n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bur n GLY 179 N -1.70 0.82 3.75 0.44 0.00 -1.26 -4.92 105.19 102.32 2bur n GLY 179 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2bur n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bur s GLU 180 N 0.00 4.75 -0.12 1.61 2.02 -0.90 -5.04 118.70 121.03 2bur s GLU 180 Ca 0.00 1.38 -0.19 0.00 0.02 0.00 0.00 54.97 56.19 2bur s GLU 180 Cb 0.00 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2bur s GLU 180 CO 0.00 0.49 0.50 0.08 0.02 0.00 0.00 175.26 176.35 2bur s VAL 181 N -0.99 5.17 -0.06 2.63 1.01 -1.26 -1.74 120.40 125.15 2bur s VAL 181 Ca 0.40 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.41 2bur s VAL 181 Cb -0.25 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2bur s VAL 181 CO 0.30 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.87 2bur s VAL 182 N 0.70 1.35 -0.17 2.92 1.01 -0.45 -1.25 120.40 124.52 2bur s VAL 182 Ca 0.27 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2bur s VAL 182 Cb -0.15 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2bur s VAL 182 CO 0.11 0.40 -0.04 -0.31 0.00 0.00 0.00 175.10 175.26 2bur s TYR 183 N 0.45 3.00 -0.22 5.22 1.51 0.60 0.48 117.35 128.40 2bur s TYR 183 Ca -0.13 -0.44 -0.09 0.00 -1.01 0.00 0.00 57.07 55.41 2bur s TYR 183 Cb -0.15 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2bur s TYR 183 CO 0.04 -0.16 0.11 0.50 -1.11 0.00 0.00 175.55 174.94 2bur s ARG 184 N 0.65 4.00 -0.25 -0.62 6.06 -0.39 -1.66 118.95 126.74 2bur s ARG 184 Ca -0.02 -0.32 -0.03 0.00 -2.50 0.00 0.00 55.73 52.86 2bur s ARG 184 Cb -0.14 -3.40 0.08 0.00 0.06 0.00 0.00 34.95 31.55 2bur s ARG 184 CO 0.02 0.12 0.10 0.12 -2.50 0.00 0.00 175.30 173.16 2bur s PHE 185 N 0.84 0.69 0.07 5.12 5.36 0.13 -1.69 117.98 128.51 2bur s PHE 185 Ca 0.06 -0.92 -0.09 0.00 -0.96 0.00 0.00 56.93 55.03 2bur s PHE 185 Cb -0.13 -1.03 -0.06 0.00 -0.34 0.00 0.00 43.02 41.46 2bur s PHE 185 CO 0.02 -0.73 0.38 -0.51 -1.46 0.00 0.00 175.22 172.92 2bur s ASP 186 N 1.97 6.60 -0.13 6.13 1.01 -1.26 -4.11 116.67 126.88 2bur s ASP 186 Ca 0.06 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.05 2bur s ASP 186 Cb -0.16 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 2bur s ASP 186 CO -0.23 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.53 2bur s ILE 187 N -1.41 2.81 -0.30 0.77 1.01 -0.42 -4.97 121.20 118.69 2bur s ILE 187 Ca 0.33 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2bur s ILE 187 Cb -0.14 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.23 2bur s ILE 187 CO 0.18 0.53 -0.01 -0.13 0.00 0.00 0.00 174.94 175.52 2bur s ARG 188 N 0.43 2.26 0.37 2.79 0.52 -1.26 -0.68 118.95 123.38 2bur s ARG 188 Ca -0.11 -1.39 0.14 0.00 -0.52 0.00 0.00 55.73 53.85 2bur s ARG 188 Cb -0.16 -3.15 0.72 0.00 0.52 0.00 0.00 34.95 32.89 2bur s ARG 188 CO 0.05 -0.68 1.80 0.82 0.02 0.00 0.00 175.30 177.32 2bur h ILE 189 N 6.55 1.18 -2.50 1.52 2.04 -1.60 0.45 117.51 125.15 2bur h ILE 189 Ca -0.18 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.22 2bur h ILE 189 Cb 1.05 1.76 -0.24 0.00 -0.74 0.00 0.00 36.82 38.65 2bur h ILE 189 CO 0.53 0.38 -0.15 -1.58 0.00 0.00 0.00 178.15 177.32 2bur s GLN 190 N -4.03 0.55 0.00 2.37 0.74 -1.26 -4.79 119.66 113.24 2bur s GLN 190 Ca -0.02 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.16 2bur s GLN 190 Cb 0.14 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.44 2bur s GLN 190 CO 0.71 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 2bur n GLY 191 N 3.31 0.27 3.76 2.59 0.00 -1.26 -4.34 105.19 109.53 2bur n GLY 191 Ca -0.16 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 2bur n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bur s GLU 192 N 0.00 4.43 -1.45 1.61 2.02 -1.26 -2.54 118.70 121.50 2bur s GLU 192 Ca 0.00 1.98 -0.05 0.00 0.02 0.00 0.00 54.97 56.92 2bur s GLU 192 Cb 0.00 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.20 2bur s GLU 192 CO 0.00 -0.04 0.43 0.09 0.02 0.00 0.00 175.26 175.77 2bur n ASN 193 N 0.84 -5.20 -4.68 -0.19 3.02 -1.26 -4.88 115.26 102.91 2bur n ASN 193 Ca 0.00 -0.23 -0.45 0.00 -0.03 0.00 0.00 54.58 53.88 2bur n ASN 193 Cb 0.44 -4.26 -0.04 0.00 -0.61 0.00 0.00 39.78 35.31 2bur n ASN 193 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2bur n GLU 194 N -3.69 2.27 -1.96 3.52 2.13 -1.05 -4.67 120.64 117.18 2bur n GLU 194 Ca -0.11 0.82 -0.41 0.00 0.66 0.00 0.00 57.16 58.12 2bur n GLU 194 Cb 0.61 -2.58 -0.01 0.00 0.27 0.00 0.00 31.44 29.73 2bur n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2bur s THR 195 N 0.72 2.40 0.25 6.31 2.01 0.15 -4.95 115.64 122.53 2bur s THR 195 Ca 0.75 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.85 2bur s THR 195 Cb -0.63 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 2bur s THR 195 CO 0.40 0.09 1.30 -0.69 -0.69 0.00 0.00 174.62 175.02 2bur s VAL 196 N -1.15 3.02 0.03 3.82 1.01 -1.26 -4.95 120.40 120.92 2bur s VAL 196 Ca 0.52 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.49 2bur s VAL 196 Cb -0.42 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2bur s VAL 196 CO 0.57 0.17 -0.21 -0.36 0.00 0.00 0.00 175.10 175.27 2bur s PHE 197 N -0.43 1.86 0.17 5.22 0.08 -1.26 -4.66 117.98 118.96 2bur s PHE 197 Ca 0.53 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.28 2bur s PHE 197 Cb -0.38 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 2bur s PHE 197 CO 0.44 0.06 0.00 -0.06 -0.10 0.00 0.00 175.22 175.56 2bur s PHE 198 N -0.71 2.86 -0.34 0.36 0.08 0.08 -4.99 117.98 115.30 2bur s PHE 198 Ca 0.08 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 2bur s PHE 198 Cb -0.09 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2bur s PHE 198 CO 0.01 0.51 0.16 0.34 -0.10 0.00 0.00 175.22 176.14 2bur s ASP 199 N -2.89 5.53 0.00 1.36 3.68 -1.26 -4.24 116.67 118.85 2bur s ASP 199 Ca 0.27 -0.89 0.22 0.00 2.13 0.00 0.00 52.55 54.28 2bur s ASP 199 Cb -0.09 -1.97 0.17 0.00 -1.45 0.00 0.00 42.92 39.58 2bur s ASP 199 CO 0.19 -0.31 1.20 2.30 0.13 0.00 0.00 175.17 178.67