#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bal s ASP 2 N 0.00 3.68 0.29 3.17 1.01 -1.26 -5.11 116.67 118.45 3bal s ASP 2 Ca 0.00 -1.34 -0.30 0.00 0.71 0.00 0.00 52.55 51.63 3bal s ASP 2 Cb 0.00 -0.35 -0.13 0.00 1.01 0.00 0.00 42.92 43.45 3bal s ASP 2 CO 0.00 -0.42 1.33 0.00 0.21 0.00 0.00 175.17 176.29 3bal n TYR 3 N -0.90 2.18 -3.52 4.23 9.36 -1.26 -4.96 117.16 122.29 3bal n TYR 3 Ca -0.05 0.50 -0.40 0.00 3.32 0.00 0.00 57.90 61.27 3bal n TYR 3 Cb 0.66 -2.43 -0.10 0.00 -0.63 0.00 0.00 39.34 36.84 3bal n TYR 3 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bal s ASN 5 N 1.73 5.87 0.13 0.00 0.01 -1.26 -5.02 114.94 116.39 3bal s ASN 5 Ca 0.07 2.90 0.08 0.00 -0.71 0.00 0.00 52.86 55.20 3bal s ASN 5 Cb -0.17 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 3bal s ASN 5 CO 0.11 -1.18 -0.18 -0.54 -1.51 0.00 0.00 177.10 173.80 3bal s LYS 6 N -2.46 1.13 0.31 -0.60 -0.14 -1.26 -5.15 119.74 111.56 3bal s LYS 6 Ca 0.61 -1.25 0.10 0.00 -1.36 0.00 0.00 55.97 54.07 3bal s LYS 6 Cb -0.43 -1.22 -0.05 0.00 -1.68 0.00 0.00 37.83 34.45 3bal s LYS 6 CO 0.56 0.26 -0.05 0.15 -0.76 0.00 0.00 175.35 175.51 3bal s LYS 7 N -2.37 2.02 0.18 1.68 1.02 -1.26 -5.09 119.74 115.92 3bal s LYS 7 Ca 0.09 -1.68 -0.33 0.00 0.02 0.00 0.00 55.97 54.07 3bal s LYS 7 Cb -0.07 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.17 3bal s LYS 7 CO 0.05 0.24 1.60 1.58 -0.92 0.00 0.00 175.35 177.89 3bal n HIS 8 N -0.85 2.38 -2.17 3.18 -0.00 -1.26 -4.93 115.22 111.56 3bal n HIS 8 Ca -0.05 0.23 -0.41 0.00 -0.00 0.00 0.00 57.72 57.49 3bal n HIS 8 Cb 0.61 -2.57 -0.03 0.00 -0.00 0.00 0.00 29.99 28.01 3bal n HIS 8 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3bal s THR 9 N 0.91 2.88 0.41 3.57 2.01 -1.26 -4.97 115.64 119.19 3bal s THR 9 Ca 0.77 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.38 3bal s THR 9 Cb -0.64 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 3bal s THR 9 CO 0.37 0.19 1.24 0.00 -0.69 0.00 0.00 174.62 175.73 3bal s ALA 10 N -0.93 3.19 0.56 7.40 0.00 -1.26 -5.02 121.76 125.70 3bal s ALA 10 Ca 0.50 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 3bal s ALA 10 Cb -0.38 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 3bal s ALA 10 CO 0.49 -0.70 0.99 -1.21 0.00 0.00 0.00 175.76 175.33 3bal s GLU 11 N -2.29 3.76 0.08 0.00 8.01 -1.26 -5.08 118.70 121.92 3bal s GLU 11 Ca 0.58 0.82 0.04 0.00 0.01 0.00 0.00 54.97 56.42 3bal s GLU 11 Cb -0.35 -2.12 -0.03 0.00 -4.31 0.00 0.00 34.13 27.32 3bal s GLU 11 CO 0.44 -0.40 -0.12 -1.21 0.01 0.00 0.00 175.26 173.97 3bal s GLU 12 N -4.61 0.79 -0.04 1.61 2.02 -1.26 -5.14 118.70 112.07 3bal s GLU 12 Ca 0.56 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3bal s GLU 12 Cb -0.10 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.47 3bal s GLU 12 CO 0.43 0.14 -0.02 -0.47 0.02 0.00 0.00 175.26 175.35 3bal s TYR 13 N -1.62 0.53 -0.18 1.61 5.04 -1.26 -5.13 117.35 116.34 3bal s TYR 13 Ca -0.01 -0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3bal s TYR 13 Cb -0.08 -0.56 0.06 0.00 0.35 0.00 0.00 41.96 41.72 3bal s TYR 13 CO 0.02 -0.18 0.02 0.08 -1.34 0.00 0.00 175.55 174.15 3bal s VAL 14 N 1.09 0.62 0.14 3.14 1.01 -1.26 -5.12 120.40 120.02 3bal s VAL 14 Ca -0.09 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3bal s VAL 14 Cb -0.14 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3bal s VAL 14 CO -0.01 -0.13 1.11 -0.75 0.00 0.00 0.00 175.10 175.32 3bal s LYS 15 N 1.82 4.55 -0.48 2.72 2.47 -1.26 -4.99 119.74 124.57 3bal s LYS 15 Ca -0.01 1.71 -0.18 0.00 -1.56 0.00 0.00 55.97 55.94 3bal s LYS 15 Cb -0.17 -3.31 0.06 0.00 -1.46 0.00 0.00 37.83 32.95 3bal s LYS 15 CO -0.07 -0.01 0.51 0.42 0.16 0.00 0.00 175.35 176.35 3bal s ILE 16 N 0.16 5.04 0.07 5.43 1.01 -1.26 -5.05 121.20 126.59 3bal s ILE 16 Ca 0.52 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3bal s ILE 16 Cb -0.29 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3bal s ILE 16 CO 0.33 -0.65 0.01 -0.44 0.00 0.00 0.00 174.94 174.18 3bal s SER 17 N 2.48 5.09 0.35 3.58 0.01 -1.26 -5.01 113.70 118.94 3bal s SER 17 Ca 0.11 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.28 3bal s SER 17 Cb -0.20 -1.26 0.65 0.00 0.21 0.00 0.00 66.02 65.42 3bal s SER 17 CO 0.10 0.20 2.00 0.44 0.41 0.00 0.00 173.24 176.40 3bal h ASP 18 N 3.66 0.72 0.03 2.44 3.32 -2.00 -2.46 116.42 122.13 3bal h ASP 18 Ca -0.48 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3bal h ASP 18 Cb 1.17 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3bal h ASP 18 CO 0.60 0.52 0.00 0.78 -1.72 0.00 0.00 179.24 179.41 3bal h ASN 19 N 0.85 0.00 -0.20 6.45 -0.26 -2.02 -2.95 115.58 117.45 3bal h ASN 19 Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3bal h ASN 19 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3bal h ASN 19 CO -0.06 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.90 3bal n ASN 20 N -2.87 2.97 -4.73 5.81 3.02 -0.93 -4.91 115.26 113.63 3bal n ASN 20 Ca -0.02 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 3bal n ASN 20 Cb 0.07 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 3bal n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bal s TYR 21 N -1.77 3.62 0.23 3.10 1.51 -1.12 -4.73 117.35 118.19 3bal s TYR 21 Ca 0.34 1.60 0.09 0.00 -1.01 0.00 0.00 57.07 58.09 3bal s TYR 21 Cb 0.21 -3.23 -0.05 0.00 -0.11 0.00 0.00 41.96 38.78 3bal s TYR 21 CO 0.31 -0.47 -0.17 0.14 -1.11 0.00 0.00 175.55 174.25 3bal s VAL 22 N 0.22 2.00 0.28 0.71 -7.23 -0.43 -4.84 120.40 111.12 3bal s VAL 22 Ca 0.51 -2.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 3bal s VAL 22 Cb -0.27 -2.12 -0.11 0.00 0.56 0.00 0.00 36.38 34.44 3bal s VAL 22 CO 0.32 -0.50 1.56 -2.84 -0.31 0.00 0.00 175.10 173.32 3bal s PRO 23 N -3.53 4.15 0.26 4.82 0.02 -1.26 -0.54 135.00 138.92 3bal s PRO 23 Ca 0.24 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.49 3bal s PRO 23 Cb -0.03 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 3bal s PRO 23 CO 0.10 -0.58 0.95 0.12 -0.33 0.00 0.00 177.00 177.25 3bal s PHE 24 N -0.03 3.92 0.01 6.54 5.36 0.03 -4.81 117.98 129.00 3bal s PHE 24 Ca 0.62 1.89 -0.38 0.00 -0.96 0.00 0.00 56.93 58.10 3bal s PHE 24 Cb -0.46 -2.98 -0.17 0.00 -0.34 0.00 0.00 43.02 39.07 3bal s PHE 24 CO 0.47 0.38 1.38 -0.35 -1.46 0.00 0.00 175.22 175.64 3bal n PRO 25 N 1.31 1.01 0.29 10.12 -0.04 -1.26 -4.85 135.00 141.58 3bal n PRO 25 Ca -0.01 0.37 0.17 0.00 -0.04 0.00 0.00 63.50 63.98 3bal n PRO 25 Cb 0.47 -2.00 0.89 0.00 -0.04 0.00 0.00 33.50 32.82 3bal n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3bal h GLU 26 N 4.84 0.00 -0.03 0.54 5.08 -1.92 -2.39 114.58 120.69 3bal h GLU 26 Ca -0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 3bal h GLU 26 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3bal h GLU 26 CO 0.80 0.05 -0.31 0.00 -1.00 0.00 0.00 179.01 178.55 3bal h ALA 27 N 1.95 1.42 -0.24 3.43 0.00 -2.04 -3.24 119.26 120.55 3bal h ALA 27 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3bal h ALA 27 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bal h ALA 27 CO 0.01 0.42 0.00 1.19 0.00 0.00 0.00 179.25 180.87 3bal n PHE 28 N -4.15 0.81 -3.83 0.00 3.01 -0.91 -4.89 117.46 107.50 3bal n PHE 28 Ca -0.02 -0.86 -0.07 0.00 1.01 0.00 0.00 57.45 57.51 3bal n PHE 28 Cb 0.37 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 3bal n PHE 28 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3bal s SER 29 N -1.95 -0.10 -0.04 4.37 1.04 -1.20 -0.51 113.70 115.31 3bal s SER 29 Ca 0.39 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 3bal s SER 29 Cb 0.32 0.74 0.02 0.00 0.10 0.00 0.00 66.02 67.20 3bal s SER 29 CO 0.09 -1.42 0.10 -0.62 0.98 0.00 0.00 173.24 172.36 3bal s ASP 30 N -3.04 -0.07 0.00 7.02 -1.08 -0.23 -4.76 116.67 114.52 3bal s ASP 30 Ca 0.14 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 3bal s ASP 30 Cb -0.05 0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 3bal s ASP 30 CO 0.08 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.29 3bal n GLY 31 N 3.68 1.55 2.41 2.66 0.00 -1.26 -1.21 105.19 113.02 3bal n GLY 31 Ca -0.20 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 3bal n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 32 N 1.75 4.51 3.73 -0.02 0.00 -1.26 -4.93 105.19 108.96 3bal n GLY 32 Ca 0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3bal n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bal s ILE 33 N 1.46 3.60 0.18 -0.61 1.01 -1.26 -4.47 121.20 121.11 3bal s ILE 33 Ca 0.63 1.29 0.10 0.00 0.00 0.00 0.00 60.65 62.68 3bal s ILE 33 Cb 0.17 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3bal s ILE 33 CO -0.07 0.18 -0.22 0.42 0.00 0.00 0.00 174.94 175.26 3bal s THR 34 N 0.20 2.14 0.37 2.92 -4.23 -0.64 -0.79 115.64 115.63 3bal s THR 34 Ca 0.55 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 3bal s THR 34 Cb -0.33 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3bal s THR 34 CO 0.35 -0.20 0.58 -1.66 -0.54 0.00 0.00 174.62 173.16 3bal s TRP 35 N -1.82 0.86 -0.16 3.99 1.48 0.30 -1.29 118.94 122.30 3bal s TRP 35 Ca 0.19 -1.22 -0.08 0.00 -1.06 0.00 0.00 56.10 53.94 3bal s TRP 35 Cb -0.07 0.19 0.07 0.00 -1.16 0.00 0.00 33.47 32.49 3bal s TRP 35 CO 0.09 -1.31 0.37 -0.65 -4.06 0.00 0.00 176.95 171.39 3bal s GLN 36 N -2.64 0.32 -0.09 3.25 -0.21 -0.80 -1.31 119.66 118.18 3bal s GLN 36 Ca 0.27 0.81 -0.26 0.00 0.02 0.00 0.00 55.36 56.19 3bal s GLN 36 Cb -0.02 0.05 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 3bal s GLN 36 CO 0.19 -0.20 0.84 -1.17 -2.12 0.00 0.00 175.29 172.84 3bal s LEU 37 N 1.78 4.28 -0.19 2.90 2.96 -1.26 -1.75 118.68 127.41 3bal s LEU 37 Ca -0.06 1.34 0.12 0.00 -0.22 0.00 0.00 54.13 55.31 3bal s LEU 37 Cb -0.10 -3.30 -0.20 0.00 0.50 0.00 0.00 46.19 43.09 3bal s LEU 37 CO -0.12 -0.28 -0.01 0.18 -1.32 0.00 0.00 176.35 174.81 3bal n LEU 38 N 4.39 0.79 -3.56 -0.68 4.77 0.64 -4.99 117.00 118.37 3bal n LEU 38 Ca 0.03 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3bal n LEU 38 Cb 0.50 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3bal n LEU 38 CO 0.49 0.55 0.60 -2.28 -1.33 0.00 0.00 177.39 175.42 3bal s HIS 39 N -2.43 -0.53 -0.04 -1.77 5.04 -1.00 -4.97 115.29 109.59 3bal s HIS 39 Ca -0.14 0.99 0.01 0.00 -1.54 0.00 0.00 55.06 54.37 3bal s HIS 39 Cb 0.06 0.41 0.02 0.00 0.04 0.00 0.00 32.58 33.11 3bal s HIS 39 CO 0.66 -0.45 -0.05 0.45 -2.34 0.00 0.00 174.74 173.01 3bal s SER 40 N -0.93 0.93 -0.54 9.88 0.15 -1.26 -0.57 113.70 121.36 3bal s SER 40 Ca -0.05 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 3bal s SER 40 Cb -0.01 -0.41 0.14 0.00 -1.71 0.00 0.00 66.02 64.03 3bal s SER 40 CO 0.05 -0.03 0.34 -0.44 1.20 0.00 0.00 173.24 174.36 3bal s SER 41 N 0.73 5.11 0.54 5.45 0.01 0.64 -4.96 113.70 121.22 3bal s SER 41 Ca -0.10 -2.62 0.28 0.00 1.31 0.00 0.00 55.95 54.82 3bal s SER 41 Cb -0.13 -1.81 1.55 0.00 0.21 0.00 0.00 66.02 65.84 3bal s SER 41 CO 0.00 -0.40 2.12 1.55 0.41 0.00 0.00 173.24 176.93 3bal h PRO 42 N 7.26 0.00 0.13 12.44 0.13 -1.95 0.59 132.00 150.60 3bal h PRO 42 Ca -0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.88 3bal h PRO 42 Cb 0.97 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.12 3bal h PRO 42 CO 0.70 0.09 -0.89 1.49 -0.23 0.00 0.00 178.00 179.16 3bal h GLU 43 N 0.00 0.27 0.14 0.86 4.81 -1.95 -3.36 114.58 115.35 3bal h GLU 43 Ca -0.00 -0.46 -0.28 0.00 -0.13 0.00 0.00 59.36 58.49 3bal h GLU 43 Cb 0.24 0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.81 3bal h GLU 43 CO 0.01 1.22 -1.25 1.15 -0.73 0.00 0.00 179.01 179.41 3bal h THR 44 N -0.40 1.47 0.00 0.32 2.02 -1.96 -3.48 112.91 110.88 3bal h THR 44 Ca -0.17 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 64.04 3bal h THR 44 Cb 1.63 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.96 3bal h THR 44 CO 0.12 0.87 0.00 -1.54 0.37 0.00 0.00 175.52 175.35 3bal n SER 45 N -3.57 -1.59 -4.96 4.18 3.41 0.20 -4.85 113.62 106.45 3bal n SER 45 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.28 3bal n SER 45 Cb 1.02 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 3bal n SER 45 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3bal s SER 46 N -2.48 6.33 0.08 4.04 1.04 -1.09 -2.02 113.70 119.60 3bal s SER 46 Ca 0.00 0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 3bal s SER 46 Cb 0.00 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.24 3bal s SER 46 CO 0.00 -0.01 0.28 -1.66 0.98 0.00 0.00 173.24 172.83 3bal s TRP 47 N -1.86 -0.02 -0.01 5.02 1.48 -0.15 -0.26 118.94 123.13 3bal s TRP 47 Ca 0.34 -0.27 0.02 0.00 -1.06 0.00 0.00 56.10 55.13 3bal s TRP 47 Cb -0.10 0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 3bal s TRP 47 CO 0.29 -0.56 -0.07 0.99 -4.06 0.00 0.00 176.95 173.54 3bal s THR 48 N -3.33 0.58 0.17 0.66 2.01 0.26 -0.30 115.64 115.70 3bal s THR 48 Ca 0.01 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 3bal s THR 48 Cb 0.02 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 72.01 3bal s THR 48 CO -0.08 0.18 0.34 0.00 -0.69 0.00 0.00 174.62 174.37 3bal s ALA 49 N 0.07 -0.20 0.00 7.40 0.00 -0.49 -0.26 121.76 128.29 3bal s ALA 49 Ca -0.01 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3bal s ALA 49 Cb -0.06 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3bal s ALA 49 CO -0.00 -0.68 -0.17 -1.50 0.00 0.00 0.00 175.76 173.41 3bal s ILE 50 N -3.95 1.32 0.01 0.00 2.07 -0.72 -1.09 121.20 118.86 3bal s ILE 50 Ca 0.16 -0.81 0.05 0.00 -1.41 0.00 0.00 60.65 58.64 3bal s ILE 50 Cb 0.02 -1.12 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 3bal s ILE 50 CO -0.00 0.30 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.81 3bal s PHE 51 N -0.50 1.39 -0.21 3.50 0.40 0.13 -1.90 117.98 120.78 3bal s PHE 51 Ca 0.06 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 3bal s PHE 51 Cb -0.07 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3bal s PHE 51 CO -0.00 0.01 -0.08 -0.80 0.70 0.00 0.00 175.22 175.05 3bal s ASN 52 N -0.74 4.02 -0.16 1.36 0.01 -0.41 -1.85 114.94 117.17 3bal s ASN 52 Ca 0.05 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 3bal s ASN 52 Cb -0.07 -1.67 0.02 0.00 0.41 0.00 0.00 41.25 39.94 3bal s ASN 52 CO 0.00 -0.03 -0.19 0.00 -1.51 0.00 0.00 177.10 175.38 3bal s PRO 54 N 1.24 0.75 0.24 0.00 0.02 -1.26 -0.29 135.00 135.70 3bal s PRO 54 Ca 0.03 0.95 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 3bal s PRO 54 Cb -0.13 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 3bal s PRO 54 CO -0.10 -2.63 1.39 0.00 -0.33 0.00 0.00 177.00 175.33 3bal s ALA 55 N -2.78 3.59 0.00 -1.55 0.00 -1.26 -2.44 121.76 117.31 3bal s ALA 55 Ca 0.65 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3bal s ALA 55 Cb -0.20 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3bal s ALA 55 CO 0.59 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3bal n GLY 56 N 2.17 0.89 3.90 0.00 0.00 0.14 -4.94 105.19 107.34 3bal n GLY 56 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3bal n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bal s SER 57 N -3.02 5.69 0.26 1.61 1.04 -1.02 -4.82 113.70 113.43 3bal s SER 57 Ca 0.00 0.97 -0.22 0.00 0.48 0.00 0.00 55.95 57.18 3bal s SER 57 Cb 0.00 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.22 3bal s SER 57 CO 0.00 -1.09 0.74 -0.94 0.98 0.00 0.00 173.24 172.94 3bal s SER 58 N -4.29 -0.27 0.10 7.02 1.04 -0.35 -1.20 113.70 115.76 3bal s SER 58 Ca 0.55 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.48 3bal s SER 58 Cb -0.11 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3bal s SER 58 CO 0.48 -1.27 -0.00 -0.36 0.98 0.00 0.00 173.24 173.07 3bal s PHE 59 N -3.83 2.96 0.80 5.02 0.40 -0.96 -1.06 117.98 121.31 3bal s PHE 59 Ca 0.11 -0.05 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 3bal s PHE 59 Cb -0.05 -1.51 0.08 0.00 0.51 0.00 0.00 43.02 42.04 3bal s PHE 59 CO 0.05 0.48 1.12 0.00 0.70 0.00 0.00 175.22 177.57 3bal s ALA 60 N -1.36 2.03 0.23 5.36 0.00 0.34 -4.07 121.76 124.29 3bal s ALA 60 Ca 0.26 0.44 -0.32 0.00 0.00 0.00 0.00 51.96 52.34 3bal s ALA 60 Cb -0.11 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 3bal s ALA 60 CO 0.18 -2.03 1.64 0.43 0.00 0.00 0.00 175.76 175.98 3bal n SER 61 N -3.56 3.74 -3.73 0.00 7.64 -1.14 -4.82 113.62 111.75 3bal n SER 61 Ca 0.10 1.10 -0.09 0.00 1.01 0.00 0.00 58.87 60.99 3bal n SER 61 Cb 0.52 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 3bal n SER 61 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3bal s HIS 62 N 0.63 -0.16 -0.04 1.43 -3.43 -0.87 -2.07 115.29 110.77 3bal s HIS 62 Ca 0.71 -0.18 0.06 0.00 -0.80 0.00 0.00 55.06 54.85 3bal s HIS 62 Cb -0.54 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 3bal s HIS 62 CO 0.40 -0.96 -0.22 0.42 -2.00 0.00 0.00 174.74 172.38 3bal s ILE 63 N -3.87 1.83 -0.32 -5.38 1.01 0.15 -0.83 121.20 113.78 3bal s ILE 63 Ca 0.09 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 3bal s ILE 63 Cb -0.02 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3bal s ILE 63 CO -0.02 0.52 0.87 -1.00 0.00 0.00 0.00 174.94 175.30 3bal s HIS 64 N -0.21 3.17 0.26 3.97 3.76 -0.65 -0.75 115.29 124.84 3bal s HIS 64 Ca -0.00 0.87 0.15 0.00 -0.15 0.00 0.00 55.06 55.92 3bal s HIS 64 Cb -0.12 -3.38 0.58 0.00 1.11 0.00 0.00 32.58 30.77 3bal s HIS 64 CO 0.02 -0.65 1.71 0.00 -0.85 0.00 0.00 174.74 174.97 3bal h ALA 65 N 8.18 1.07 -2.74 -1.40 0.00 -1.67 0.72 119.26 123.42 3bal h ALA 65 Ca -0.23 -0.42 -0.47 0.00 0.00 0.00 0.00 54.91 53.79 3bal h ALA 65 Cb 1.09 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 3bal h ALA 65 CO 0.93 0.58 -0.50 0.20 0.00 0.00 0.00 179.25 180.46 3bal s GLY 66 N -4.39 2.32 0.46 0.00 0.00 -1.18 -4.47 107.32 100.06 3bal s GLY 66 Ca -0.01 -1.96 -0.24 0.00 0.00 0.00 0.00 44.72 42.51 3bal s GLY 66 CO 0.72 -1.51 1.28 2.56 0.00 0.00 0.00 173.10 176.15 3bal s PRO 67 N -3.52 3.68 0.01 2.90 0.04 -1.26 -3.89 135.00 132.97 3bal s PRO 67 Ca 0.39 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.50 3bal s PRO 67 Cb 0.03 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3bal s PRO 67 CO 0.25 -0.70 -0.06 0.20 0.04 0.00 0.00 177.00 176.74 3bal s GLY 68 N -0.98 0.32 -0.08 0.56 0.00 -0.05 -1.90 107.32 105.19 3bal s GLY 68 Ca 0.63 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3bal s GLY 68 CO 0.44 -0.41 -0.12 -0.54 0.00 0.00 0.00 173.10 172.47 3bal s GLU 69 N -0.68 1.80 0.11 2.90 2.02 -0.77 -1.12 118.70 122.97 3bal s GLU 69 Ca -0.03 -0.43 0.10 0.00 0.02 0.00 0.00 54.97 54.63 3bal s GLU 69 Cb -0.05 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3bal s GLU 69 CO -0.00 -0.02 -0.25 1.52 0.02 0.00 0.00 175.26 176.53 3bal s TYR 70 N 0.83 2.36 -0.32 1.61 -0.85 -0.60 -1.91 117.35 118.48 3bal s TYR 70 Ca -0.11 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 3bal s TYR 70 Cb -0.15 -1.30 0.09 0.00 0.38 0.00 0.00 41.96 40.98 3bal s TYR 70 CO 0.02 0.31 0.03 0.12 -1.52 0.00 0.00 175.55 174.51 3bal s PHE 71 N -1.03 3.19 -0.45 -3.49 5.99 0.32 -1.38 117.98 121.12 3bal s PHE 71 Ca 0.14 -2.57 -0.29 0.00 0.00 0.00 0.00 56.93 54.22 3bal s PHE 71 Cb -0.10 -2.46 0.03 0.00 0.00 0.00 0.00 43.02 40.49 3bal s PHE 71 CO 0.06 -0.91 1.11 -1.17 -0.00 0.00 0.00 175.22 174.31 3bal s LEU 72 N 1.11 3.71 0.12 6.12 2.96 -0.36 -1.60 118.68 130.73 3bal s LEU 72 Ca 0.07 0.52 0.23 0.00 -0.22 0.00 0.00 54.13 54.72 3bal s LEU 72 Cb -0.19 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3bal s LEU 72 CO -0.11 -1.18 0.94 0.35 -1.32 0.00 0.00 176.35 175.03 3bal n THR 73 N 6.67 0.39 -3.66 3.68 -2.24 -0.56 -2.53 114.28 116.02 3bal n THR 73 Ca 0.11 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3bal n THR 73 Cb 0.49 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 3bal n THR 73 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3bal s LYS 74 N -3.35 0.73 1.78 -0.78 2.20 -0.99 -4.73 119.74 114.60 3bal s LYS 74 Ca -0.01 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 3bal s LYS 74 Cb 0.12 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 3bal s LYS 74 CO 0.81 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 3bal n GLY 75 N 2.30 0.09 3.19 5.54 0.00 -1.26 -0.92 105.19 114.14 3bal n GLY 75 Ca -0.15 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 3bal n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bal s LYS 76 N 0.00 0.45 -0.05 1.61 1.02 -1.26 -2.05 119.74 119.46 3bal s LYS 76 Ca 0.00 0.18 -0.00 0.00 0.02 0.00 0.00 55.97 56.17 3bal s LYS 76 Cb 0.00 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 3bal s LYS 76 CO 0.00 -0.09 -0.01 1.41 -0.92 0.00 0.00 175.35 175.75 3bal s MET 77 N -0.37 0.53 -0.46 1.68 1.75 -0.44 -4.14 119.30 117.85 3bal s MET 77 Ca -0.05 0.07 -0.18 0.00 -1.25 0.00 0.00 55.69 54.28 3bal s MET 77 Cb -0.03 -0.78 0.04 0.00 2.84 0.00 0.00 34.83 36.90 3bal s MET 77 CO 0.02 -0.21 0.53 -1.21 -0.65 0.00 0.00 175.02 173.50 3bal s GLU 78 N 1.48 3.12 -0.09 4.11 2.02 -0.10 -0.33 118.70 128.91 3bal s GLU 78 Ca -0.03 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 3bal s GLU 78 Cb -0.13 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 3bal s GLU 78 CO -0.03 -1.03 -0.00 0.08 0.02 0.00 0.00 175.26 174.30 3bal s VAL 79 N 2.37 4.29 -1.46 2.63 1.01 0.63 -2.36 120.40 127.51 3bal s VAL 79 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3bal s VAL 79 Cb -0.18 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.43 3bal s VAL 79 CO 0.13 0.60 0.97 0.54 0.00 0.00 0.00 175.10 177.34 3bal n ARG 80 N 2.25 -6.23 -0.11 2.72 1.74 -1.26 -1.12 116.66 114.65 3bal n ARG 80 Ca -0.18 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3bal n ARG 80 Cb 0.53 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.31 3bal n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bal n GLY 81 N -1.75 0.81 0.23 -0.13 0.00 -1.26 -3.34 105.19 99.75 3bal n GLY 81 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3bal n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 82 N -2.00 -2.12 0.37 -0.02 0.00 -0.83 -3.62 105.19 96.97 3bal n GLY 82 Ca 0.00 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3bal n GLY 82 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bal h GLU 83 N -0.22 0.72 0.00 1.61 4.81 -1.71 -0.77 114.58 119.02 3bal h GLU 83 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3bal h GLU 83 Cb 0.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3bal h GLU 83 CO 0.01 0.48 0.00 -0.56 -0.73 0.00 0.00 179.01 178.21 3bal h GLN 84 N 0.74 0.00 -0.07 1.92 -0.00 -1.89 -2.90 115.11 112.91 3bal h GLN 84 Ca 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 59.07 3bal h GLN 84 Cb 0.78 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.15 3bal h GLN 84 CO -0.26 0.00 -0.64 0.39 -0.00 0.00 0.00 178.83 178.32 3bal n GLU 85 N -2.54 1.47 -0.16 0.06 1.02 -0.54 -4.98 120.64 114.98 3bal n GLU 85 Ca -0.00 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 3bal n GLU 85 Cb 0.14 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3bal n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bal n GLY 86 N -0.78 1.91 0.00 0.62 0.00 -1.10 -4.83 105.19 101.00 3bal n GLY 86 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3bal n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bal n GLY 87 N -2.00 1.60 3.08 -0.02 0.00 -0.41 -4.96 105.19 102.48 3bal n GLY 87 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 3bal n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bal s SER 88 N -1.00 1.12 -0.25 1.61 0.01 -0.28 -3.96 113.70 110.95 3bal s SER 88 Ca 0.00 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.79 3bal s SER 88 Cb 0.00 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.27 3bal s SER 88 CO 0.00 -0.11 -0.09 -0.89 0.41 0.00 0.00 173.24 172.56 3bal s THR 89 N -1.12 2.00 0.13 1.44 2.01 -1.26 -0.27 115.64 118.58 3bal s THR 89 Ca -0.05 -1.54 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 3bal s THR 89 Cb -0.09 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.19 3bal s THR 89 CO 0.01 -0.06 0.80 0.00 -0.69 0.00 0.00 174.62 174.69 3bal s ALA 90 N 1.18 3.40 -0.12 7.40 0.00 0.55 -4.88 121.76 129.28 3bal s ALA 90 Ca -0.08 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3bal s ALA 90 Cb -0.20 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 3bal s ALA 90 CO -0.05 0.19 -0.19 0.71 0.00 0.00 0.00 175.76 176.42 3bal s TYR 91 N -0.74 2.68 0.30 0.00 1.51 -1.26 -1.32 117.35 118.51 3bal s TYR 91 Ca 0.38 -1.00 -0.29 0.00 -1.01 0.00 0.00 57.07 55.15 3bal s TYR 91 Cb -0.23 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.73 3bal s TYR 91 CO 0.26 -0.41 1.33 0.00 -1.11 0.00 0.00 175.55 175.62 3bal s ALA 92 N 0.50 3.52 0.02 3.71 0.00 -0.87 -3.43 121.76 125.22 3bal s ALA 92 Ca -0.13 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3bal s ALA 92 Cb -0.17 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 3bal s ALA 92 CO 0.05 -0.64 0.47 -1.25 0.00 0.00 0.00 175.76 174.39 3bal s PRO 93 N -1.33 4.05 0.27 0.00 0.04 -1.26 -4.90 135.00 131.86 3bal s PRO 93 Ca 0.52 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 3bal s PRO 93 Cb -0.40 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 30.92 3bal s PRO 93 CO 0.49 0.64 0.64 -1.54 0.04 0.00 0.00 177.00 177.27 3bal s SER 94 N -0.98 -0.19 0.15 6.66 1.04 -1.05 -5.02 113.70 114.31 3bal s SER 94 Ca 0.26 -0.73 0.06 0.00 0.48 0.00 0.00 55.95 56.02 3bal s SER 94 Cb -0.18 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3bal s SER 94 CO 0.15 -1.28 -0.14 -0.47 0.98 0.00 0.00 173.24 172.48 3bal s TYR 95 N -3.93 1.51 -0.07 5.02 5.04 -1.26 -1.23 117.35 122.44 3bal s TYR 95 Ca 0.15 -0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 54.04 3bal s TYR 95 Cb -0.04 -0.75 0.03 0.00 0.35 0.00 0.00 41.96 41.55 3bal s TYR 95 CO 0.08 0.21 0.36 0.20 -1.34 0.00 0.00 175.55 175.06 3bal s GLY 96 N -2.84 -0.23 -0.24 8.97 0.00 -0.48 -4.98 107.32 107.52 3bal s GLY 96 Ca 0.15 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3bal s GLY 96 CO 0.04 0.48 -0.13 -0.12 0.00 0.00 0.00 173.10 173.37 3bal s PHE 97 N -0.72 3.13 -0.32 1.90 5.36 -1.26 -1.56 117.98 124.52 3bal s PHE 97 Ca -0.08 -2.12 -0.06 0.00 -0.96 0.00 0.00 56.93 53.71 3bal s PHE 97 Cb -0.04 -1.93 0.03 0.00 -0.34 0.00 0.00 43.02 40.74 3bal s PHE 97 CO 0.03 -0.86 0.08 -1.21 -1.46 0.00 0.00 175.22 171.80 3bal s GLU 98 N 1.16 2.70 0.82 10.12 0.41 -0.27 -5.01 118.70 128.63 3bal s GLU 98 Ca -0.05 -1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 53.28 3bal s GLU 98 Cb -0.18 -3.39 0.08 0.00 -1.78 0.00 0.00 34.13 28.87 3bal s GLU 98 CO -0.07 -0.60 1.12 -1.54 -0.49 0.00 0.00 175.26 173.67 3bal s SER 99 N 1.40 4.31 0.04 -0.19 1.04 -1.26 -0.87 113.70 118.17 3bal s SER 99 Ca -0.01 1.12 -0.34 0.00 0.48 0.00 0.00 55.95 57.20 3bal s SER 99 Cb -0.19 -1.79 -0.13 0.00 0.10 0.00 0.00 66.02 64.01 3bal s SER 99 CO 0.02 -2.06 1.75 -0.24 0.98 0.00 0.00 173.24 173.68 3bal n SER 100 N -3.47 3.35 0.00 7.02 2.88 -1.25 -1.35 113.62 120.79 3bal n SER 100 Ca 0.07 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3bal n SER 100 Cb 0.58 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 3bal n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bal n GLY 101 N 3.96 1.43 3.67 0.46 0.00 0.25 -4.95 105.19 110.01 3bal n GLY 101 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 3bal n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bal n ALA 102 N -1.58 1.16 -2.54 4.61 0.00 -0.46 -4.67 120.51 117.03 3bal n ALA 102 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 3bal n ALA 102 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 16.93 3bal n ALA 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3bal s LEU 103 N 2.19 4.48 -0.63 0.00 2.96 -1.26 -1.64 118.68 124.77 3bal s LEU 103 Ca 0.84 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3bal s LEU 103 Cb -0.68 -2.15 0.16 0.00 0.50 0.00 0.00 46.19 44.01 3bal s LEU 103 CO 0.43 -0.23 0.44 -1.00 -1.32 0.00 0.00 176.35 174.68 3bal s HIS 104 N 1.75 3.40 0.13 5.38 3.76 -0.01 -4.70 115.29 124.99 3bal s HIS 104 Ca 0.07 -2.80 -0.19 0.00 -0.15 0.00 0.00 55.06 51.99 3bal s HIS 104 Cb -0.17 -3.15 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 3bal s HIS 104 CO 0.11 -0.82 1.76 0.78 -0.85 0.00 0.00 174.74 175.71 3bal h GLY 105 N 6.88 0.30 -5.19 -2.22 0.00 -1.91 -2.32 103.07 98.62 3bal h GLY 105 Ca -0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 47.33 46.99 3bal h GLY 105 CO 0.71 0.05 -0.59 1.17 0.00 0.00 0.00 176.54 177.88 3bal n LYS 106 N -5.01 0.71 -1.68 4.80 4.81 -1.26 -2.88 118.16 117.65 3bal n LYS 106 Ca -0.02 -2.04 -0.49 0.00 -0.87 0.00 0.00 58.31 54.89 3bal n LYS 106 Cb 0.07 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 33.63 3bal n LYS 106 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3bal n THR 107 N 1.89 0.37 -5.19 3.15 -1.04 -1.26 -4.80 114.28 107.40 3bal n THR 107 Ca 0.13 -0.07 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 3bal n THR 107 Cb 0.60 -1.64 -0.15 0.00 -1.82 0.00 0.00 70.33 67.31 3bal n THR 107 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3bal s PHE 108 N 2.99 2.36 -0.45 -1.42 5.36 -0.99 -2.26 117.98 123.56 3bal s PHE 108 Ca 0.89 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.44 3bal s PHE 108 Cb -0.75 -1.49 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 3bal s PHE 108 CO 0.50 0.01 0.23 -0.06 -1.46 0.00 0.00 175.22 174.44 3bal s PHE 109 N -0.66 3.55 0.51 10.12 0.40 -0.34 -0.93 117.98 130.64 3bal s PHE 109 Ca 0.11 -2.64 0.30 0.00 -0.60 0.00 0.00 56.93 54.10 3bal s PHE 109 Cb -0.10 -3.14 1.72 0.00 0.51 0.00 0.00 43.02 42.01 3bal s PHE 109 CO -0.00 -0.92 2.19 -1.35 0.70 0.00 0.00 175.22 175.83 3bal h PRO 110 N 7.65 0.00 -4.45 0.24 0.11 -1.87 0.39 132.00 134.07 3bal h PRO 110 Ca -0.09 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.84 3bal h PRO 110 Cb 1.01 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.96 3bal h PRO 110 CO 0.67 0.05 -0.69 0.54 -0.21 0.00 0.00 178.00 178.36 3bal s VAL 111 N -4.37 0.46 -0.00 3.15 0.11 -1.26 -4.18 120.40 114.31 3bal s VAL 111 Ca -0.04 -1.76 -0.33 0.00 -2.93 0.00 0.00 61.98 56.92 3bal s VAL 111 Cb 0.14 -1.46 -0.12 0.00 -1.53 0.00 0.00 36.38 33.42 3bal s VAL 111 CO 0.55 -0.86 1.84 1.21 -3.33 0.00 0.00 175.10 174.51 3bal n GLU 112 N 0.23 2.35 -4.45 1.54 2.13 -1.26 -4.34 120.64 116.83 3bal n GLU 112 Ca -0.14 0.86 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 3bal n GLU 112 Cb 0.60 -2.71 -0.09 0.00 0.27 0.00 0.00 31.44 29.50 3bal n GLU 112 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3bal s SER 113 N 3.46 2.35 -0.15 4.31 0.01 0.61 -4.00 113.70 120.28 3bal s SER 113 Ca 0.89 -1.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 3bal s SER 113 Cb -0.63 0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.92 3bal s SER 113 CO 0.46 -0.81 0.38 -1.58 0.41 0.00 0.00 173.24 172.11 3bal s GLN 114 N -3.81 0.42 -0.09 12.44 0.74 -0.10 -0.80 119.66 128.47 3bal s GLN 114 Ca 0.30 0.60 -0.15 0.00 0.05 0.00 0.00 55.36 56.16 3bal s GLN 114 Cb 0.05 0.15 0.03 0.00 1.10 0.00 0.00 33.01 34.34 3bal s GLN 114 CO 0.15 -0.08 0.37 -0.59 -0.55 0.00 0.00 175.29 174.59 3bal s PHE 115 N 0.54 -0.34 -0.10 1.67 -0.12 -0.77 -1.50 117.98 117.35 3bal s PHE 115 Ca -0.03 0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 57.57 3bal s PHE 115 Cb -0.04 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3bal s PHE 115 CO -0.03 -0.29 0.04 -0.47 -0.05 0.00 0.00 175.22 174.42 3bal s TYR 116 N -0.41 3.28 -0.10 3.49 5.04 -0.63 -0.69 117.35 127.32 3bal s TYR 116 Ca -0.05 0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 54.68 3bal s TYR 116 Cb -0.03 -1.84 0.04 0.00 0.35 0.00 0.00 41.96 40.47 3bal s TYR 116 CO 0.02 0.52 0.40 1.41 -1.34 0.00 0.00 175.55 176.56 3bal s MET 117 N -0.84 0.59 -0.04 4.97 -2.45 -0.25 -0.52 119.30 120.77 3bal s MET 117 Ca 0.13 0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 3bal s MET 117 Cb -0.12 0.28 -0.03 0.00 1.25 0.00 0.00 34.83 36.21 3bal s MET 117 CO 0.03 -0.12 -0.11 0.95 1.05 0.00 0.00 175.02 176.82 3bal s THR 118 N -0.38 3.34 -0.01 10.11 -4.23 -0.80 -1.40 115.64 122.28 3bal s THR 118 Ca -0.05 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 3bal s THR 118 Cb -0.03 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 3bal s THR 118 CO 0.02 0.54 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.12 3bal s PHE 119 N -0.82 1.43 -0.27 3.99 0.40 0.58 -1.84 117.98 121.46 3bal s PHE 119 Ca 0.13 -0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 3bal s PHE 119 Cb -0.11 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.53 3bal s PHE 119 CO 0.02 -0.01 -0.01 -1.17 0.70 0.00 0.00 175.22 174.75 3bal s LEU 120 N -0.47 3.44 0.00 -0.37 2.96 -0.80 -0.98 118.68 122.47 3bal s LEU 120 Ca 0.06 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.16 3bal s LEU 120 Cb -0.06 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3bal s LEU 120 CO -0.00 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 3bal n GLY 121 N 4.74 -2.79 3.93 7.98 0.00 -0.85 -3.07 105.19 115.13 3bal n GLY 121 Ca -0.16 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 3bal n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bal s PRO 122 N -0.71 2.69 -0.26 1.61 0.04 -1.26 -4.73 135.00 132.39 3bal s PRO 122 Ca 0.00 -0.27 -0.05 0.00 0.04 0.00 0.00 61.00 60.72 3bal s PRO 122 Cb 0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3bal s PRO 122 CO 0.00 -0.78 0.01 -0.51 0.04 0.00 0.00 177.00 175.76 3bal s LEU 123 N -4.96 3.34 -0.45 -3.56 1.43 0.02 -1.90 118.68 112.60 3bal s LEU 123 Ca 0.55 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3bal s LEU 123 Cb -0.10 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.36 3bal s LEU 123 CO 0.43 -0.10 0.61 0.20 0.23 0.00 0.00 176.35 177.72 3bal s ASN 124 N 1.47 6.28 0.06 2.29 0.01 0.07 -0.92 114.94 124.19 3bal s ASN 124 Ca 0.04 -0.52 -0.28 0.00 -0.71 0.00 0.00 52.86 51.39 3bal s ASN 124 Cb -0.16 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 3bal s ASN 124 CO -0.01 -0.78 0.87 -0.36 -1.51 0.00 0.00 177.10 175.31 3bal s PHE 125 N 2.70 3.74 0.21 2.20 0.40 -0.01 -0.68 117.98 126.54 3bal s PHE 125 Ca 0.19 1.62 0.11 0.00 -0.60 0.00 0.00 56.93 58.26 3bal s PHE 125 Cb -0.16 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.37 3bal s PHE 125 CO 0.17 0.19 -0.22 0.96 0.70 0.00 0.00 175.22 177.01 3bal s ILE 126 N 0.19 2.44 0.44 0.64 -4.36 -0.88 -0.84 121.20 118.84 3bal s ILE 126 Ca 0.44 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3bal s ILE 126 Cb -0.21 -2.19 0.09 0.00 1.25 0.00 0.00 42.46 41.39 3bal s ILE 126 CO 0.26 -0.16 0.60 -0.90 0.24 0.00 0.00 174.94 174.99 3bal n ASP 127 N 0.11 0.84 0.00 4.36 5.68 -0.30 -4.71 116.55 122.53 3bal n ASP 127 Ca -0.11 -1.70 0.06 0.00 -0.50 0.00 0.00 54.79 52.54 3bal n ASP 127 Cb 0.57 -0.39 0.31 0.00 -1.14 0.00 0.00 41.12 40.47 3bal n ASP 127 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3bal n ASP 128 N -2.93 0.00 -0.65 -1.12 8.00 -1.26 -1.81 116.55 116.78 3bal n ASP 128 Ca 0.10 0.04 0.06 0.00 0.71 0.00 0.00 54.79 55.70 3bal n ASP 128 Cb 0.36 -0.24 0.18 0.00 -0.02 0.00 0.00 41.12 41.39 3bal n ASP 128 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bal n ASN 129 N -1.24 3.16 0.00 -2.24 5.15 -1.26 -4.97 115.26 113.86 3bal n ASN 129 Ca 0.06 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.64 3bal n ASN 129 Cb 0.09 -0.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 3bal n ASN 129 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bal n GLY 130 N -0.01 1.73 3.73 8.20 0.00 -0.75 -5.02 105.19 113.06 3bal n GLY 130 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3bal n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bal s LYS 131 N -0.13 4.49 -0.51 1.61 -0.14 -1.26 -4.71 119.74 119.08 3bal s LYS 131 Ca 0.00 1.83 -0.28 0.00 -1.36 0.00 0.00 55.97 56.16 3bal s LYS 131 Cb 0.00 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.88 3bal s LYS 131 CO 0.00 -0.12 1.48 0.08 -0.76 0.00 0.00 175.35 176.03 3bal s VAL 132 N 0.23 3.76 -0.40 3.17 1.01 -1.26 -1.15 120.40 125.76 3bal s VAL 132 Ca 0.54 0.68 0.23 0.00 0.00 0.00 0.00 61.98 63.43 3bal s VAL 132 Cb -0.31 -4.28 0.12 0.00 0.00 0.00 0.00 36.38 31.91 3bal s VAL 132 CO 0.34 -0.98 1.30 0.16 0.00 0.00 0.00 175.10 175.92 3bal h ILE 133 N 6.48 0.00 -1.93 2.22 -0.00 -1.33 -3.46 117.51 119.48 3bal h ILE 133 Ca -0.27 -0.87 0.04 0.00 -0.00 0.00 0.00 64.86 63.75 3bal h ILE 133 Cb 1.11 1.56 -0.22 0.00 -0.00 0.00 0.00 36.82 39.27 3bal h ILE 133 CO 1.15 0.00 0.07 0.00 -0.00 0.00 0.00 178.15 179.36 3bal s ALA 134 N -3.27 -1.95 -0.48 0.16 0.00 -1.18 -5.02 121.76 110.03 3bal s ALA 134 Ca 0.04 2.39 -0.11 0.00 0.00 0.00 0.00 51.96 54.28 3bal s ALA 134 Cb 0.09 -1.48 0.12 0.00 0.00 0.00 0.00 23.12 21.84 3bal s ALA 134 CO 0.73 -0.40 0.37 0.45 0.00 0.00 0.00 175.76 176.91 3bal s SER 135 N 1.64 5.80 -0.55 0.00 0.15 -1.26 -0.83 113.70 118.66 3bal s SER 135 Ca -0.10 -1.83 -0.18 0.00 0.70 0.00 0.00 55.95 54.54 3bal s SER 135 Cb -0.05 -2.05 0.09 0.00 -1.71 0.00 0.00 66.02 62.30 3bal s SER 135 CO -0.19 -0.71 0.63 -0.63 1.20 0.00 0.00 173.24 173.54 3bal s ILE 136 N 1.42 4.91 0.00 6.45 -1.09 -0.10 -4.86 121.20 127.94 3bal s ILE 136 Ca 0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3bal s ILE 136 Cb -0.27 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 3bal s ILE 136 CO 0.00 -0.95 0.00 0.61 -1.23 0.00 0.00 174.94 173.38 3bal n GLY 137 N 5.24 3.29 0.34 6.18 0.00 -1.26 -0.80 105.19 118.18 3bal n GLY 137 Ca -0.09 -2.14 0.06 0.00 0.00 0.00 0.00 46.02 43.85 3bal n GLY 137 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3bal h TRP 138 N 0.35 1.05 -0.18 1.61 5.08 -1.85 -0.22 115.95 121.80 3bal h TRP 138 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 3bal h TRP 138 Cb 0.00 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 25.82 3bal h TRP 138 CO 0.00 0.42 0.06 0.00 -1.28 0.00 0.00 178.44 177.64 3bal h ALA 139 N 1.51 0.23 -0.31 0.11 0.00 -1.96 -0.31 119.26 118.53 3bal h ALA 139 Ca 0.47 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3bal h ALA 139 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3bal h ALA 139 CO -0.26 -0.15 -0.26 0.93 0.00 0.00 0.00 179.25 179.51 3bal h GLU 140 N 0.11 0.62 -0.40 0.00 3.07 -1.79 -1.74 114.58 114.45 3bal h GLU 140 Ca 0.06 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.55 3bal h GLU 140 Cb 0.22 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3bal h GLU 140 CO -0.00 0.82 -0.22 0.00 -1.40 0.00 0.00 179.01 178.20 3bal h ALA 141 N 1.18 0.57 -0.55 3.43 0.00 -0.94 -2.20 119.26 120.76 3bal h ALA 141 Ca 0.07 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3bal h ALA 141 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3bal h ALA 141 CO 0.06 0.55 0.00 0.37 0.00 0.00 0.00 179.25 180.22 3bal h GLN 142 N 0.68 0.94 -0.56 0.00 4.15 -0.94 -1.26 115.11 118.12 3bal h GLN 142 Ca 0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 3bal h GLN 142 Cb 0.79 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 3bal h GLN 142 CO 0.06 0.93 0.31 0.78 -1.93 0.00 0.00 178.83 178.99 3bal h GLY 143 N 1.00 0.83 1.35 2.39 0.00 -1.16 -0.92 103.07 106.55 3bal h GLY 143 Ca 0.16 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 3bal h GLY 143 CO 0.03 0.36 -0.27 0.00 0.00 0.00 0.00 176.54 176.65 3bal h ALA 144 N 1.14 0.85 0.18 3.60 0.00 -1.24 -1.77 119.26 122.02 3bal h ALA 144 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3bal h ALA 144 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3bal h ALA 144 CO -0.03 0.63 -0.08 2.35 0.00 0.00 0.00 179.25 182.12 3bal h TRP 145 N 0.64 -0.22 -0.04 0.00 2.91 -0.96 -2.09 115.95 116.18 3bal h TRP 145 Ca 0.08 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.00 3bal h TRP 145 Cb 0.78 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 3bal h TRP 145 CO 0.04 0.06 -0.43 -0.07 -1.03 0.00 0.00 178.44 177.01 3bal h LEU 146 N -0.49 0.10 -0.25 0.65 3.38 -1.21 0.22 115.31 117.71 3bal h LEU 146 Ca -0.02 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3bal h LEU 146 Cb 0.37 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3bal h LEU 146 CO 0.04 0.52 -0.37 0.00 0.09 0.00 0.00 178.44 178.72 3bal h ALA 147 N 1.49 0.39 0.06 1.53 0.00 -1.32 -3.26 119.26 118.15 3bal h ALA 147 Ca 0.01 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 3bal h ALA 147 Cb 0.79 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3bal h ALA 147 CO 0.06 0.46 -0.99 1.15 0.00 0.00 0.00 179.25 179.93 3bal h THR 148 N 0.42 1.34 -0.01 0.00 2.02 -1.29 -3.51 112.91 111.89 3bal h THR 148 Ca 0.03 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3bal h THR 148 Cb 0.96 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 3bal h THR 148 CO 0.09 0.70 0.00 1.17 0.37 0.00 0.00 175.52 177.84