#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 4.01 0.29 7.83 1.01 -1.26 -5.10 116.67 123.45 3bal s ASP 2 Ca 0.00 -1.16 -0.28 0.00 0.71 0.00 0.00 52.55 51.82 3bal s ASP 2 Cb 0.00 -0.44 -0.14 0.00 1.01 0.00 0.00 42.92 43.35 3bal s ASP 2 CO 0.00 -0.32 1.09 0.00 0.21 0.00 0.00 175.17 176.14 3bal n TYR 3 N -0.95 1.49 -3.56 4.23 9.36 -1.26 -4.95 117.16 121.53 3bal n TYR 3 Ca -0.04 0.66 -0.40 0.00 3.32 0.00 0.00 57.90 61.44 3bal n TYR 3 Cb 0.64 -2.29 -0.11 0.00 -0.63 0.00 0.00 39.34 36.95 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 1.70 6.38 0.11 0.00 0.01 -1.26 -5.01 114.94 116.87 3bal s ASN 5 Ca 0.06 3.00 0.10 0.00 -0.71 0.00 0.00 52.86 55.30 3bal s ASN 5 Cb -0.17 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.79 3bal s ASN 5 CO 0.10 -0.87 -0.25 -0.54 -1.51 0.00 0.00 177.10 174.03 3bal s LYS 6 N -1.59 1.35 0.21 -0.60 -0.14 -1.26 -5.14 119.74 112.56 3bal s LYS 6 Ca 0.56 -1.25 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 3bal s LYS 6 Cb -0.46 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 3bal s LYS 6 CO 0.58 0.41 -0.02 0.15 -0.76 0.00 0.00 175.35 175.71 3bal s LYS 7 N -1.89 2.28 0.21 1.68 3.01 -1.26 -5.08 119.74 118.70 3bal s LYS 7 Ca 0.11 -1.25 -0.32 0.00 -1.01 0.00 0.00 55.97 53.50 3bal s LYS 7 Cb -0.10 -2.24 -0.14 0.00 -1.01 0.00 0.00 37.83 34.34 3bal s LYS 7 CO 0.05 0.42 1.45 1.58 0.51 0.00 0.00 175.35 179.36 3bal n HIS 8 N -0.35 2.18 -2.28 3.18 -0.00 -1.26 -4.93 115.22 111.77 3bal n HIS 8 Ca -0.09 0.39 -0.40 0.00 -0.00 0.00 0.00 57.72 57.63 3bal n HIS 8 Cb 0.56 -2.48 -0.03 0.00 -0.00 0.00 0.00 29.99 28.05 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 0.21 3.07 0.32 3.57 2.01 -1.26 -4.98 115.64 118.59 3bal s THR 9 Ca 0.71 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.46 3bal s THR 9 Cb -0.66 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.11 3bal s THR 9 CO 0.46 0.21 1.28 0.00 -0.69 0.00 0.00 174.62 175.88 3bal s ALA 10 N -1.22 3.49 0.63 7.40 0.00 -1.26 -5.02 121.76 125.78 3bal s ALA 10 Ca 0.50 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.54 3bal s ALA 10 Cb -0.35 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3bal s ALA 10 CO 0.45 -0.57 1.04 -1.21 0.00 0.00 0.00 175.76 175.47 3bal s GLU 11 N -1.71 3.39 0.08 0.00 8.01 -1.26 -5.07 118.70 122.13 3bal s GLU 11 Ca 0.48 0.89 0.04 0.00 0.01 0.00 0.00 54.97 56.40 3bal s GLU 11 Cb -0.39 -2.05 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 3bal s GLU 11 CO 0.51 -0.74 -0.12 -1.21 0.01 0.00 0.00 175.26 173.71 3bal s GLU 12 N -4.89 0.78 -0.04 1.61 2.02 -1.26 -5.14 118.70 111.79 3bal s GLU 12 Ca 0.57 -0.99 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 3bal s GLU 12 Cb -0.12 -0.64 0.03 0.00 0.10 0.00 0.00 34.13 33.50 3bal s GLU 12 CO 0.50 0.13 0.00 -0.47 0.02 0.00 0.00 175.26 175.44 3bal s TYR 13 N -1.69 0.37 -0.13 1.61 5.04 -1.26 -5.14 117.35 116.15 3bal s TYR 13 Ca -0.01 -0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.60 3bal s TYR 13 Cb -0.08 -0.49 0.04 0.00 0.35 0.00 0.00 41.96 41.78 3bal s TYR 13 CO 0.01 -0.17 -0.02 0.08 -1.34 0.00 0.00 175.55 174.11 3bal s VAL 14 N 1.25 0.76 0.07 3.14 1.01 -1.26 -5.11 120.40 120.26 3bal s VAL 14 Ca -0.06 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 3bal s VAL 14 Cb -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3bal s VAL 14 CO -0.02 0.16 0.98 -0.75 0.00 0.00 0.00 175.10 175.47 3bal s LYS 15 N 1.79 4.63 -0.46 2.72 2.47 -1.26 -5.01 119.74 124.63 3bal s LYS 15 Ca 0.03 1.46 -0.18 0.00 -1.56 0.00 0.00 55.97 55.72 3bal s LYS 15 Cb -0.14 -3.40 0.04 0.00 -1.46 0.00 0.00 37.83 32.87 3bal s LYS 15 CO -0.07 0.09 0.52 0.42 0.16 0.00 0.00 175.35 176.47 3bal s ILE 16 N 0.41 5.00 -0.09 5.43 1.01 -1.26 -5.05 121.20 126.66 3bal s ILE 16 Ca 0.49 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3bal s ILE 16 Cb -0.23 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 3bal s ILE 16 CO 0.29 -0.60 -0.02 -0.44 0.00 0.00 0.00 174.94 174.17 3bal s SER 17 N 2.25 5.03 0.50 3.58 0.01 -1.26 -5.00 113.70 118.80 3bal s SER 17 Ca 0.13 0.07 0.19 0.00 1.31 0.00 0.00 55.95 57.66 3bal s SER 17 Cb -0.18 -1.41 1.24 0.00 0.21 0.00 0.00 66.02 65.88 3bal s SER 17 CO 0.13 0.36 2.03 0.44 0.41 0.00 0.00 173.24 176.60 3bal h ASP 18 N 5.32 0.13 0.15 2.44 3.32 -2.00 -1.09 116.42 124.68 3bal h ASP 18 Ca -0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3bal h ASP 18 Cb 1.19 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3bal h ASP 18 CO 0.54 0.08 -0.01 0.78 -1.72 0.00 0.00 179.24 178.91 3bal h ASN 19 N 0.14 0.00 -0.07 6.45 4.21 -2.02 -3.06 115.58 121.24 3bal h ASN 19 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 3bal h ASN 19 Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 3bal h ASN 19 CO -0.03 0.01 0.00 0.59 -1.29 0.00 0.00 177.43 176.71 3bal n ASN 20 N -3.26 2.76 -4.74 5.81 3.02 -0.41 -4.93 115.26 113.51 3bal n ASN 20 Ca -0.02 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 3bal n ASN 20 Cb 0.11 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.95 3.49 0.19 3.10 1.51 -1.16 -4.77 117.35 117.77 3bal s TYR 21 Ca 0.31 1.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.96 3bal s TYR 21 Cb 0.20 -3.37 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 3bal s TYR 21 CO 0.31 -0.94 -0.13 0.14 -1.11 0.00 0.00 175.55 173.81 3bal s VAL 22 N -0.31 1.61 0.23 0.71 -7.23 -0.65 -4.86 120.40 109.90 3bal s VAL 22 Ca 0.50 -2.18 -0.31 0.00 -1.81 0.00 0.00 61.98 58.18 3bal s VAL 22 Cb -0.32 -2.00 -0.12 0.00 0.56 0.00 0.00 36.38 34.51 3bal s VAL 22 CO 0.37 -0.63 1.67 -2.84 -0.31 0.00 0.00 175.10 173.37 3bal s PRO 23 N -3.66 4.13 0.30 4.82 0.02 -1.26 -1.14 135.00 138.20 3bal s PRO 23 Ca 0.21 2.58 -0.28 0.00 0.02 0.00 0.00 61.00 63.53 3bal s PRO 23 Cb -0.00 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 3bal s PRO 23 CO 0.05 -0.71 1.06 0.12 -0.33 0.00 0.00 177.00 177.19 3bal s PHE 24 N 0.83 3.60 -0.16 6.54 5.36 -0.15 -4.85 117.98 129.15 3bal s PHE 24 Ca 0.71 1.73 -0.40 0.00 -0.96 0.00 0.00 56.93 58.01 3bal s PHE 24 Cb -0.49 -3.19 -0.18 0.00 -0.34 0.00 0.00 43.02 38.83 3bal s PHE 24 CO 0.37 -0.36 1.46 -0.35 -1.46 0.00 0.00 175.22 174.88 3bal n PRO 25 N 0.98 0.68 0.27 10.12 -0.04 -1.26 -4.83 135.00 140.92 3bal n PRO 25 Ca -0.00 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 3bal n PRO 25 Cb 0.46 -1.85 0.75 0.00 -0.04 0.00 0.00 33.50 32.83 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 5.12 0.00 0.00 0.54 5.08 -1.91 -2.06 114.58 121.35 3bal h GLU 26 Ca -0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3bal h GLU 26 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 3bal h GLU 26 CO 0.85 0.07 -0.11 0.00 -1.00 0.00 0.00 179.01 178.82 3bal h ALA 27 N 1.93 1.19 -0.06 3.43 0.00 -2.03 -3.15 119.26 120.56 3bal h ALA 27 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3bal h ALA 27 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bal h ALA 27 CO 0.01 0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.59 3bal n PHE 28 N -3.50 0.18 -3.74 0.00 3.01 -0.78 -4.93 117.46 107.69 3bal n PHE 28 Ca -0.01 -0.84 -0.08 0.00 1.01 0.00 0.00 57.45 57.53 3bal n PHE 28 Cb 0.26 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 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 -2.19 -0.32 -0.02 4.37 1.04 -1.17 -1.08 113.70 114.32 3bal s SER 29 Ca 0.26 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.27 3bal s SER 29 Cb 0.22 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.01 3bal s SER 29 CO 0.04 -1.20 -0.08 -0.62 0.98 0.00 0.00 173.24 172.36 3bal s ASP 30 N -2.87 1.06 0.00 7.02 3.68 -0.37 -4.72 116.67 120.47 3bal s ASP 30 Ca 0.09 -0.16 0.00 0.00 2.13 0.00 0.00 52.55 54.61 3bal s ASP 30 Cb -0.04 -0.29 0.00 0.00 -1.45 0.00 0.00 42.92 41.13 3bal s ASP 30 CO 0.02 0.05 0.00 0.61 0.13 0.00 0.00 175.17 175.98 3bal n GLY 31 N 3.34 0.97 2.18 2.66 0.00 -1.26 -1.11 105.19 111.98 3bal n GLY 31 Ca -0.18 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 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 1.12 2.95 3.73 -0.02 0.00 -1.26 -4.91 105.19 106.81 3bal n GLY 32 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 1.72 3.00 0.22 -0.61 1.01 -1.26 -4.58 121.20 120.71 3bal s ILE 33 Ca 0.56 0.80 0.10 0.00 0.00 0.00 0.00 60.65 62.11 3bal s ILE 33 Cb 0.23 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 3bal s ILE 33 CO -0.01 0.11 -0.19 0.42 0.00 0.00 0.00 174.94 175.26 3bal s THR 34 N 0.35 2.14 0.37 2.92 -4.23 -0.73 -0.98 115.64 115.49 3bal s THR 34 Ca 0.60 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3bal s THR 34 Cb -0.39 -2.10 0.04 0.00 1.34 0.00 0.00 72.50 71.39 3bal s THR 34 CO 0.38 -0.37 0.70 -1.66 -0.54 0.00 0.00 174.62 173.13 3bal s TRP 35 N -2.34 0.39 -0.13 3.99 1.48 -0.30 -1.29 118.94 120.74 3bal s TRP 35 Ca 0.23 -0.93 -0.07 0.00 -1.06 0.00 0.00 56.10 54.27 3bal s TRP 35 Cb -0.05 0.57 0.05 0.00 -1.16 0.00 0.00 33.47 32.88 3bal s TRP 35 CO 0.10 -1.44 0.31 -0.65 -4.06 0.00 0.00 176.95 171.21 3bal s GLN 36 N -2.55 0.28 -0.09 3.25 -0.21 -0.67 -1.64 119.66 118.03 3bal s GLN 36 Ca 0.20 0.60 -0.23 0.00 0.02 0.00 0.00 55.36 55.94 3bal s GLN 36 Cb -0.04 -0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.89 3bal s GLN 36 CO 0.14 -0.15 0.71 -1.17 -2.12 0.00 0.00 175.29 172.70 3bal s LEU 37 N 1.16 4.28 -0.20 2.90 2.96 -1.26 -1.56 118.68 126.96 3bal s LEU 37 Ca -0.08 1.15 0.14 0.00 -0.22 0.00 0.00 54.13 55.12 3bal s LEU 37 Cb -0.09 -3.08 -0.22 0.00 0.50 0.00 0.00 46.19 43.31 3bal s LEU 37 CO -0.09 -0.16 0.01 0.18 -1.32 0.00 0.00 176.35 174.97 3bal n LEU 38 N 4.06 0.62 -3.57 -0.68 4.77 0.55 -4.97 117.00 117.77 3bal n LEU 38 Ca -0.01 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3bal n LEU 38 Cb 0.51 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 3bal n LEU 38 CO 0.47 0.56 0.66 -2.28 -1.33 0.00 0.00 177.39 175.47 3bal s HIS 39 N -2.46 -0.49 -0.04 -1.77 5.04 -0.92 -4.97 115.29 109.69 3bal s HIS 39 Ca -0.14 0.91 0.03 0.00 -1.54 0.00 0.00 55.06 54.31 3bal s HIS 39 Cb 0.06 0.42 0.00 0.00 0.04 0.00 0.00 32.58 33.10 3bal s HIS 39 CO 0.73 -0.40 -0.11 -1.12 -2.34 0.00 0.00 174.74 171.50 3bal s SER 40 N -0.87 1.48 -0.60 9.88 0.01 -1.26 -0.68 113.70 121.66 3bal s SER 40 Ca -0.04 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3bal s SER 40 Cb -0.01 -0.47 0.15 0.00 0.21 0.00 0.00 66.02 65.90 3bal s SER 40 CO 0.03 0.07 0.38 -0.44 0.41 0.00 0.00 173.24 173.69 3bal s SER 41 N 0.28 4.87 0.58 2.44 0.01 0.94 -4.96 113.70 117.87 3bal s SER 41 Ca -0.06 -2.97 0.28 0.00 1.31 0.00 0.00 55.95 54.51 3bal s SER 41 Cb -0.11 -1.77 1.70 0.00 0.21 0.00 0.00 66.02 66.06 3bal s SER 41 CO 0.01 -0.30 2.20 1.55 0.41 0.00 0.00 173.24 177.11 3bal h PRO 42 N 6.74 0.00 0.10 12.44 0.13 -1.95 0.55 132.00 150.00 3bal h PRO 42 Ca -0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 3bal h PRO 42 Cb 0.92 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.06 3bal h PRO 42 CO 0.71 0.00 -0.75 1.49 -0.23 0.00 0.00 178.00 179.21 3bal h GLU 43 N 0.00 0.20 0.10 0.86 4.81 -1.95 -3.37 114.58 115.24 3bal h GLU 43 Ca 0.03 -0.34 -0.27 0.00 -0.13 0.00 0.00 59.36 58.64 3bal h GLU 43 Cb 0.16 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.68 3bal h GLU 43 CO -0.00 1.16 -1.19 1.15 -0.73 0.00 0.00 179.01 179.41 3bal h THR 44 N -0.55 1.39 0.00 0.32 2.02 -1.94 -3.48 112.91 110.68 3bal h THR 44 Ca -0.15 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3bal h THR 44 Cb 1.49 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.65 3bal h THR 44 CO 0.08 0.80 0.00 -1.54 0.37 0.00 0.00 175.52 175.23 3bal n SER 45 N -3.68 -1.38 -4.94 4.18 3.41 0.19 -4.85 113.62 106.55 3bal n SER 45 Ca -0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.27 3bal n SER 45 Cb 0.97 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.18 6.31 0.07 4.04 1.04 -1.16 -1.99 113.70 119.84 3bal s SER 46 Ca 0.00 0.41 -0.18 0.00 0.48 0.00 0.00 55.95 56.66 3bal s SER 46 Cb 0.00 -2.01 0.04 0.00 0.10 0.00 0.00 66.02 64.15 3bal s SER 46 CO 0.00 -0.23 0.41 -1.66 0.98 0.00 0.00 173.24 172.74 3bal s TRP 47 N -2.22 -0.26 0.00 5.02 1.48 -0.06 -0.04 118.94 122.88 3bal s TRP 47 Ca 0.39 0.15 0.03 0.00 -1.06 0.00 0.00 56.10 55.60 3bal s TRP 47 Cb -0.10 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.44 3bal s TRP 47 CO 0.34 -0.61 -0.09 0.99 -4.06 0.00 0.00 176.95 173.52 3bal s THR 48 N -2.83 0.68 0.23 0.66 2.01 0.14 0.19 115.64 116.71 3bal s THR 48 Ca -0.03 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 3bal s THR 48 Cb -0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 3bal s THR 48 CO -0.05 0.10 0.44 0.00 -0.69 0.00 0.00 174.62 174.42 3bal s ALA 49 N -0.39 -0.21 0.01 7.40 0.00 -0.73 -0.33 121.76 127.51 3bal s ALA 49 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3bal s ALA 49 Cb -0.04 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 3bal s ALA 49 CO -0.00 -0.81 -0.10 -1.50 0.00 0.00 0.00 175.76 173.35 3bal s ILE 50 N -4.00 0.80 0.05 0.00 2.07 -0.60 -1.53 121.20 117.98 3bal s ILE 50 Ca 0.21 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 58.87 3bal s ILE 50 Cb 0.00 -0.71 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 3bal s ILE 50 CO 0.07 0.08 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.69 3bal s PHE 51 N -0.52 1.16 -0.17 3.50 0.40 0.36 -1.67 117.98 121.04 3bal s PHE 51 Ca 0.01 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3bal s PHE 51 Cb -0.05 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.81 3bal s PHE 51 CO 0.00 0.03 -0.19 -0.80 0.70 0.00 0.00 175.22 174.97 3bal s ASN 52 N -1.28 3.29 -0.12 1.36 0.01 -0.41 -1.23 114.94 116.55 3bal s ASN 52 Ca -0.00 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 51.57 3bal s ASN 52 Cb -0.08 -1.50 0.01 0.00 0.41 0.00 0.00 41.25 40.08 3bal s ASN 52 CO 0.01 0.02 -0.19 0.00 -1.51 0.00 0.00 177.10 175.44 3bal s PRO 54 N 0.88 1.97 0.28 0.00 0.02 -1.26 -0.11 135.00 136.79 3bal s PRO 54 Ca -0.07 0.81 -0.30 0.00 0.02 0.00 0.00 61.00 61.46 3bal s PRO 54 Cb -0.15 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 3bal s PRO 54 CO -0.01 -1.75 1.59 0.00 -0.33 0.00 0.00 177.00 176.50 3bal s ALA 55 N -3.04 3.74 0.00 -1.55 0.00 -1.26 -2.06 121.76 117.59 3bal s ALA 55 Ca 0.61 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3bal s ALA 55 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3bal s ALA 55 CO 0.55 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3bal n GLY 56 N 2.25 0.82 3.91 0.00 0.00 0.15 -4.93 105.19 107.38 3bal n GLY 56 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.69 5.76 0.29 1.61 1.04 -0.88 -4.81 113.70 114.02 3bal s SER 57 Ca 0.00 0.86 -0.20 0.00 0.48 0.00 0.00 55.95 57.09 3bal s SER 57 Cb 0.00 -1.90 0.02 0.00 0.10 0.00 0.00 66.02 64.24 3bal s SER 57 CO 0.00 -0.98 0.73 -0.94 0.98 0.00 0.00 173.24 173.02 3bal s SER 58 N -4.26 -0.23 0.13 7.02 1.04 -0.27 -1.65 113.70 115.48 3bal s SER 58 Ca 0.53 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.35 3bal s SER 58 Cb -0.11 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 3bal s SER 58 CO 0.47 -1.38 0.02 -0.36 0.98 0.00 0.00 173.24 172.96 3bal s PHE 59 N -3.76 2.96 0.80 5.02 0.40 -1.04 -1.24 117.98 121.11 3bal s PHE 59 Ca 0.12 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 3bal s PHE 59 Cb -0.06 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 42.07 3bal s PHE 59 CO 0.07 0.50 1.09 0.00 0.70 0.00 0.00 175.22 177.58 3bal s ALA 60 N -1.51 2.10 0.23 5.36 0.00 -0.24 -4.14 121.76 123.56 3bal s ALA 60 Ca 0.27 0.23 -0.32 0.00 0.00 0.00 0.00 51.96 52.14 3bal s ALA 60 Cb -0.11 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 3bal s ALA 60 CO 0.19 -1.91 1.66 0.43 0.00 0.00 0.00 175.76 176.13 3bal n SER 61 N -3.62 3.82 -3.73 0.00 7.64 -1.17 -4.78 113.62 111.79 3bal n SER 61 Ca 0.09 1.09 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 3bal n SER 61 Cb 0.53 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 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 0.73 -0.13 -0.04 1.43 -3.43 -0.71 -1.51 115.29 111.64 3bal s HIS 62 Ca 0.72 -0.21 0.06 0.00 -0.80 0.00 0.00 55.06 54.83 3bal s HIS 62 Cb -0.52 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 3bal s HIS 62 CO 0.39 -0.91 -0.22 0.42 -2.00 0.00 0.00 174.74 172.42 3bal s ILE 63 N -3.87 1.75 -0.26 -5.38 1.01 -0.33 -0.33 121.20 113.78 3bal s ILE 63 Ca 0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 3bal s ILE 63 Cb -0.01 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 3bal s ILE 63 CO -0.03 0.50 0.83 -1.00 0.00 0.00 0.00 174.94 175.23 3bal s HIS 64 N -0.27 3.27 0.28 3.97 3.76 -0.54 -1.23 115.29 124.52 3bal s HIS 64 Ca 0.02 1.04 0.09 0.00 -0.15 0.00 0.00 55.06 56.06 3bal s HIS 64 Cb -0.11 -3.13 0.37 0.00 1.11 0.00 0.00 32.58 30.82 3bal s HIS 64 CO 0.01 -0.47 1.63 0.00 -0.85 0.00 0.00 174.74 175.06 3bal h ALA 65 N 7.83 1.00 -2.27 -1.40 0.00 -1.73 0.73 119.26 123.42 3bal h ALA 65 Ca -0.23 -0.53 -0.50 0.00 0.00 0.00 0.00 54.91 53.65 3bal h ALA 65 Cb 1.09 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3bal h ALA 65 CO 0.88 0.72 -0.51 0.20 0.00 0.00 0.00 179.25 180.55 3bal s GLY 66 N -4.41 2.43 0.45 0.00 0.00 -1.17 -4.43 107.32 100.18 3bal s GLY 66 Ca -0.02 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 42.82 3bal s GLY 66 CO 0.77 -1.64 1.22 2.56 0.00 0.00 0.00 173.10 176.01 3bal s PRO 67 N -3.61 3.77 0.02 2.90 0.04 -1.26 -3.87 135.00 132.99 3bal s PRO 67 Ca 0.32 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3bal s PRO 67 Cb 0.03 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3bal s PRO 67 CO 0.20 -0.59 -0.07 0.20 0.04 0.00 0.00 177.00 176.79 3bal s GLY 68 N -1.13 0.40 -0.07 0.56 0.00 0.11 -2.04 107.32 105.15 3bal s GLY 68 Ca 0.62 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.83 3bal s GLY 68 CO 0.40 -0.55 -0.14 -0.54 0.00 0.00 0.00 173.10 172.27 3bal s GLU 69 N -0.97 1.91 0.17 2.90 2.02 -0.73 -0.88 118.70 123.12 3bal s GLU 69 Ca -0.05 -0.49 0.11 0.00 0.02 0.00 0.00 54.97 54.56 3bal s GLU 69 Cb -0.07 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 3bal s GLU 69 CO 0.00 0.06 -0.23 1.52 0.02 0.00 0.00 175.26 176.63 3bal s TYR 70 N 0.60 2.36 -0.29 1.61 -0.85 -0.66 -1.67 117.35 118.45 3bal s TYR 70 Ca -0.15 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 3bal s TYR 70 Cb -0.16 -1.20 0.09 0.00 0.38 0.00 0.00 41.96 41.06 3bal s TYR 70 CO 0.05 0.45 0.04 0.12 -1.52 0.00 0.00 175.55 174.68 3bal s PHE 71 N -1.46 2.38 -0.54 -3.49 5.99 0.92 -1.79 117.98 119.99 3bal s PHE 71 Ca 0.19 -2.01 -0.26 0.00 0.00 0.00 0.00 56.93 54.86 3bal s PHE 71 Cb -0.09 -1.94 0.03 0.00 0.00 0.00 0.00 43.02 41.03 3bal s PHE 71 CO 0.09 -0.85 1.01 -1.17 -0.00 0.00 0.00 175.22 174.31 3bal s LEU 72 N 1.39 3.89 0.11 6.12 2.96 -0.23 -1.20 118.68 131.73 3bal s LEU 72 Ca 0.05 -0.09 0.19 0.00 -0.22 0.00 0.00 54.13 54.06 3bal s LEU 72 Cb -0.18 -3.03 -0.09 0.00 0.50 0.00 0.00 46.19 43.39 3bal s LEU 72 CO -0.15 -1.26 0.90 0.35 -1.32 0.00 0.00 176.35 174.88 3bal n THR 73 N 6.40 0.97 -3.75 3.68 -2.24 -0.67 -1.96 114.28 116.71 3bal n THR 73 Ca 0.05 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 3bal n THR 73 Cb 0.48 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.03 3bal n THR 73 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bal s LYS 74 N -3.10 0.45 1.29 -0.78 1.02 -1.03 -4.64 119.74 112.97 3bal s LYS 74 Ca -0.02 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.43 3bal s LYS 74 Cb 0.09 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 3bal s LYS 74 CO 0.80 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 3bal n GLY 75 N 2.75 -0.43 3.05 -3.33 0.00 -1.26 -0.80 105.19 105.18 3bal n GLY 75 Ca -0.14 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3bal n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bal s LYS 76 N 0.00 0.21 -0.02 1.61 2.20 -1.26 -1.75 119.74 120.72 3bal s LYS 76 Ca 0.00 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 3bal s LYS 76 Cb 0.00 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 3bal s LYS 76 CO 0.00 -0.03 -0.03 1.41 -0.36 0.00 0.00 175.35 176.34 3bal s MET 77 N 0.04 0.47 -0.27 4.03 -2.45 -0.57 -4.04 119.30 116.52 3bal s MET 77 Ca -0.00 -0.07 -0.08 0.00 -1.25 0.00 0.00 55.69 54.29 3bal s MET 77 Cb -0.01 -0.53 -0.02 0.00 1.25 0.00 0.00 34.83 35.51 3bal s MET 77 CO 0.00 -0.03 0.09 -1.21 1.05 0.00 0.00 175.02 174.92 3bal s GLU 78 N 0.56 3.52 0.06 4.11 2.02 -0.21 -0.31 118.70 128.45 3bal s GLU 78 Ca -0.06 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.42 3bal s GLU 78 Cb -0.09 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3bal s GLU 78 CO -0.01 -0.27 -0.16 0.08 0.02 0.00 0.00 175.26 174.93 3bal s VAL 79 N 1.60 2.95 -1.34 2.63 1.01 -0.07 -2.08 120.40 125.09 3bal s VAL 79 Ca 0.06 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3bal s VAL 79 Cb -0.16 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3bal s VAL 79 CO 0.04 0.26 0.36 0.54 0.00 0.00 0.00 175.10 176.30 3bal n ARG 80 N 1.28 -3.40 -0.13 2.72 1.74 -1.26 -1.03 116.66 116.58 3bal n ARG 80 Ca -0.16 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3bal n ARG 80 Cb 0.52 -5.40 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.17 0.59 0.15 -0.13 0.00 -1.26 -3.34 105.19 100.03 3bal n GLY 81 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.89 0.26 -0.02 0.00 -0.20 -3.37 105.19 97.98 3bal n GLY 82 Ca 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.14 0.00 0.00 1.61 4.81 -1.69 0.29 114.58 119.46 3bal h GLU 83 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3bal h GLU 83 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bal h GLU 83 CO 0.00 0.05 0.00 -0.56 -0.73 0.00 0.00 179.01 177.77 3bal h GLN 84 N 0.00 0.00 -0.21 1.92 -0.00 -1.87 -3.09 115.11 111.85 3bal h GLN 84 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 3bal h GLN 84 Cb 0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 27.45 3bal h GLN 84 CO 0.01 0.00 -0.59 0.39 -0.00 0.00 0.00 178.83 178.63 3bal n GLU 85 N -3.00 2.16 -0.97 0.06 -0.58 -0.73 -4.95 120.64 112.63 3bal n GLU 85 Ca 0.00 -3.55 0.00 0.00 -0.42 0.00 0.00 57.16 53.20 3bal n GLU 85 Cb 0.27 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 3bal n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bal n GLY 86 N -1.00 0.83 0.00 0.62 0.00 -1.17 -4.78 105.19 99.70 3bal n GLY 86 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.12 1.90 3.27 -0.02 0.00 0.94 -4.96 105.19 104.19 3bal n GLY 87 Ca 0.00 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 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 2.59 -0.24 1.61 0.01 -0.44 -3.72 113.70 112.51 3bal s SER 88 Ca 0.00 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.74 3bal s SER 88 Cb 0.00 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.04 3bal s SER 88 CO 0.00 0.18 -0.11 -0.89 0.41 0.00 0.00 173.24 172.83 3bal s THR 89 N -0.78 2.40 -0.10 1.44 2.01 -1.26 -0.89 115.64 118.45 3bal s THR 89 Ca 0.08 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.74 3bal s THR 89 Cb -0.09 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3bal s THR 89 CO 0.02 0.19 0.23 0.00 -0.69 0.00 0.00 174.62 174.37 3bal s ALA 90 N 1.23 3.78 -0.06 7.40 0.00 0.58 -4.93 121.76 129.76 3bal s ALA 90 Ca -0.02 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3bal s ALA 90 Cb -0.17 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 3bal s ALA 90 CO -0.07 0.47 -0.25 0.71 0.00 0.00 0.00 175.76 176.63 3bal s TYR 91 N -0.71 2.40 0.23 0.00 1.51 -1.26 -1.52 117.35 118.00 3bal s TYR 91 Ca 0.17 -0.71 -0.30 0.00 -1.01 0.00 0.00 57.07 55.22 3bal s TYR 91 Cb -0.13 -1.58 -0.09 0.00 -0.11 0.00 0.00 41.96 40.05 3bal s TYR 91 CO 0.06 -0.22 1.16 0.00 -1.11 0.00 0.00 175.55 175.45 3bal s ALA 92 N -0.15 3.43 0.15 3.71 0.00 -0.72 -3.32 121.76 124.86 3bal s ALA 92 Ca -0.04 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 3bal s ALA 92 Cb -0.14 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3bal s ALA 92 CO 0.04 -0.31 0.61 -1.25 0.00 0.00 0.00 175.76 174.85 3bal s PRO 93 N -0.84 4.13 0.24 0.00 0.04 -1.26 -4.88 135.00 132.43 3bal s PRO 93 Ca 0.49 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 3bal s PRO 93 Cb -0.33 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.23 3bal s PRO 93 CO 0.40 0.50 0.63 -1.54 0.04 0.00 0.00 177.00 177.03 3bal s SER 94 N -1.52 -0.27 0.15 6.66 1.04 -0.83 -5.00 113.70 113.93 3bal s SER 94 Ca 0.37 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.30 3bal s SER 94 Cb -0.17 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3bal s SER 94 CO 0.20 -1.22 -0.16 -0.47 0.98 0.00 0.00 173.24 172.58 3bal s TYR 95 N -3.91 1.60 -0.07 5.02 5.04 -1.26 -1.07 117.35 122.70 3bal s TYR 95 Ca 0.11 -0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 54.06 3bal s TYR 95 Cb -0.04 -0.80 0.03 0.00 0.35 0.00 0.00 41.96 41.50 3bal s TYR 95 CO 0.03 0.24 0.35 0.20 -1.34 0.00 0.00 175.55 175.04 3bal s GLY 96 N -2.68 -0.23 -0.27 8.97 0.00 -0.74 -4.98 107.32 107.39 3bal s GLY 96 Ca 0.14 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.54 3bal s GLY 96 CO 0.05 0.50 -0.06 -0.12 0.00 0.00 0.00 173.10 173.47 3bal s PHE 97 N -0.64 3.19 -0.40 1.90 5.36 -1.26 -1.65 117.98 124.48 3bal s PHE 97 Ca -0.07 -1.91 -0.07 0.00 -0.96 0.00 0.00 56.93 53.92 3bal s PHE 97 Cb -0.04 -2.04 0.08 0.00 -0.34 0.00 0.00 43.02 40.69 3bal s PHE 97 CO 0.03 -0.81 0.21 -1.21 -1.46 0.00 0.00 175.22 171.98 3bal s GLU 98 N 1.23 2.42 0.96 10.12 0.41 -0.06 -5.00 118.70 128.78 3bal s GLU 98 Ca -0.05 -1.53 -0.12 0.00 -0.41 0.00 0.00 54.97 52.86 3bal s GLU 98 Cb -0.19 -3.65 0.17 0.00 -1.78 0.00 0.00 34.13 28.68 3bal s GLU 98 CO -0.04 -0.94 1.09 -1.54 -0.49 0.00 0.00 175.26 173.34 3bal s SER 99 N 1.94 2.90 0.16 -0.19 1.04 -1.26 -0.71 113.70 117.57 3bal s SER 99 Ca 0.03 1.37 -0.32 0.00 0.48 0.00 0.00 55.95 57.51 3bal s SER 99 Cb -0.23 -2.05 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 3bal s SER 99 CO -0.00 -2.98 1.73 -0.24 0.98 0.00 0.00 173.24 172.72 3bal n SER 100 N -4.10 3.76 0.00 7.02 2.88 -1.25 -1.46 113.62 120.47 3bal n SER 100 Ca 0.06 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3bal n SER 100 Cb 0.56 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 3.93 1.26 3.67 0.46 0.00 0.25 -4.95 105.19 109.81 3bal n GLY 101 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.97 1.17 -2.61 4.61 0.00 -0.53 -4.67 120.51 116.51 3bal n ALA 102 Ca 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 3bal n ALA 102 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 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 1.38 4.04 -0.63 0.00 2.96 -1.26 -1.47 118.68 123.69 3bal s LEU 103 Ca 0.81 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3bal s LEU 103 Cb -0.70 -2.16 0.16 0.00 0.50 0.00 0.00 46.19 43.99 3bal s LEU 103 CO 0.40 -0.04 0.41 -1.00 -1.32 0.00 0.00 176.35 174.80 3bal s HIS 104 N 1.66 3.41 0.29 5.38 3.76 0.55 -4.61 115.29 125.72 3bal s HIS 104 Ca 0.08 -3.18 -0.01 0.00 -0.15 0.00 0.00 55.06 51.80 3bal s HIS 104 Cb -0.16 -2.86 0.43 0.00 1.11 0.00 0.00 32.58 31.10 3bal s HIS 104 CO 0.10 -0.68 1.88 0.78 -0.85 0.00 0.00 174.74 175.97 3bal h GLY 105 N 6.10 0.99 -5.00 -2.22 0.00 -1.90 -1.88 103.07 99.16 3bal h GLY 105 Ca 0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 3bal h GLY 105 CO 0.72 0.46 -0.42 1.17 0.00 0.00 0.00 176.54 178.47 3bal n LYS 106 N -4.33 0.60 -1.68 4.80 4.81 -1.26 -3.05 118.16 118.05 3bal n LYS 106 Ca 0.06 -1.63 -0.46 0.00 -0.87 0.00 0.00 58.31 55.40 3bal n LYS 106 Cb 0.15 -1.23 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 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 2.01 0.46 -4.83 3.15 -1.04 -1.26 -4.84 114.28 107.93 3bal n THR 107 Ca 0.10 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 3bal n THR 107 Cb 0.62 -1.89 -0.14 0.00 -1.82 0.00 0.00 70.33 67.10 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 3.32 2.34 -0.31 -1.42 5.36 -0.88 -2.51 117.98 123.88 3bal s PHE 108 Ca 0.88 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 56.49 3bal s PHE 108 Cb -0.63 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 40.75 3bal s PHE 108 CO 0.46 0.16 0.01 -0.06 -1.46 0.00 0.00 175.22 174.33 3bal s PHE 109 N -0.84 3.36 -0.86 10.12 0.40 -0.66 -1.04 117.98 128.45 3bal s PHE 109 Ca 0.12 -2.64 0.20 0.00 -0.60 0.00 0.00 56.93 54.01 3bal s PHE 109 Cb -0.10 -2.49 0.84 0.00 0.51 0.00 0.00 43.02 41.78 3bal s PHE 109 CO 0.03 -0.91 1.64 -2.30 0.70 0.00 0.00 175.22 174.37 3bal n PRO 110 N 4.38 0.07 -4.00 0.24 -0.02 -1.26 0.32 135.00 134.73 3bal n PRO 110 Ca -0.02 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3bal n PRO 110 Cb 0.42 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 3bal n PRO 110 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bal s VAL 111 N -3.08 0.18 0.06 -1.45 0.11 -1.26 -4.33 120.40 110.62 3bal s VAL 111 Ca 0.08 -1.45 -0.30 0.00 -2.93 0.00 0.00 61.98 57.38 3bal s VAL 111 Cb 0.12 -1.24 -0.09 0.00 -1.53 0.00 0.00 36.38 33.64 3bal s VAL 111 CO 0.37 -0.80 1.89 -0.70 -3.33 0.00 0.00 175.10 172.54 3bal s GLU 112 N -3.40 4.14 0.31 1.54 2.12 -1.26 -4.21 118.70 117.94 3bal s GLU 112 Ca 0.02 2.57 0.03 0.00 0.36 0.00 0.00 54.97 57.95 3bal s GLU 112 Cb 0.04 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3bal s GLU 112 CO -0.08 -0.90 0.14 -1.12 -0.54 0.00 0.00 175.26 172.76 3bal s SER 113 N 3.75 1.61 -0.11 -1.70 0.01 0.85 -4.05 113.70 114.06 3bal s SER 113 Ca 0.85 -1.53 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 3bal s SER 113 Cb -0.43 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.18 3bal s SER 113 CO 0.39 -0.86 0.28 -1.58 0.41 0.00 0.00 173.24 171.88 3bal s GLN 114 N -3.84 0.29 -0.09 12.44 0.74 0.02 -0.20 119.66 129.02 3bal s GLN 114 Ca 0.35 0.46 -0.18 0.00 0.05 0.00 0.00 55.36 56.04 3bal s GLN 114 Cb 0.05 0.06 0.04 0.00 1.10 0.00 0.00 33.01 34.26 3bal s GLN 114 CO 0.17 -0.08 0.43 -0.59 -0.55 0.00 0.00 175.29 174.67 3bal s PHE 115 N 0.57 -0.40 -0.07 1.67 -0.12 -0.37 -1.68 117.98 117.57 3bal s PHE 115 Ca -0.03 0.85 -0.01 0.00 -0.05 0.00 0.00 56.93 57.68 3bal s PHE 115 Cb -0.05 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 3bal s PHE 115 CO -0.03 -0.35 -0.01 -0.47 -0.05 0.00 0.00 175.22 174.31 3bal s TYR 116 N -0.56 3.13 -0.11 3.49 5.04 -0.34 -0.48 117.35 127.51 3bal s TYR 116 Ca -0.07 0.16 -0.16 0.00 -2.44 0.00 0.00 57.07 54.56 3bal s TYR 116 Cb -0.03 -1.77 0.04 0.00 0.35 0.00 0.00 41.96 40.55 3bal s TYR 116 CO 0.03 0.45 0.42 1.41 -1.34 0.00 0.00 175.55 176.53 3bal s MET 117 N -0.95 0.61 -0.09 4.97 -2.45 -0.58 -0.05 119.30 120.75 3bal s MET 117 Ca 0.14 0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.92 3bal s MET 117 Cb -0.11 0.29 -0.02 0.00 1.25 0.00 0.00 34.83 36.23 3bal s MET 117 CO 0.03 -0.12 -0.13 0.95 1.05 0.00 0.00 175.02 176.80 3bal s THR 118 N -0.38 3.13 -0.04 10.11 -4.23 -0.67 -1.78 115.64 121.78 3bal s THR 118 Ca -0.05 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 3bal s THR 118 Cb -0.03 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 3bal s THR 118 CO 0.03 0.56 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.08 3bal s PHE 119 N -0.23 2.13 -0.34 3.99 0.40 0.13 -1.77 117.98 122.29 3bal s PHE 119 Ca 0.01 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 3bal s PHE 119 Cb -0.13 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.04 3bal s PHE 119 CO 0.03 -0.14 0.12 -1.17 0.70 0.00 0.00 175.22 174.76 3bal s LEU 120 N -0.26 4.37 0.00 -0.37 2.96 -0.86 -0.88 118.68 123.64 3bal s LEU 120 Ca 0.01 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 52.84 3bal s LEU 120 Cb -0.11 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.67 3bal s LEU 120 CO 0.02 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 3bal n GLY 121 N 4.85 -3.37 3.94 7.98 0.00 -0.84 -3.06 105.19 114.70 3bal n GLY 121 Ca -0.12 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.84 2.27 -0.26 1.61 0.04 -1.26 -4.74 135.00 131.82 3bal s PRO 122 Ca 0.00 -0.35 -0.04 0.00 0.04 0.00 0.00 61.00 60.65 3bal s PRO 122 Cb 0.00 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3bal s PRO 122 CO 0.00 -1.13 -0.01 -0.51 0.04 0.00 0.00 177.00 175.39 3bal s LEU 123 N -5.15 3.39 -0.59 -3.56 1.43 0.54 -2.14 118.68 112.60 3bal s LEU 123 Ca 0.59 -0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 3bal s LEU 123 Cb -0.11 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.43 3bal s LEU 123 CO 0.43 -0.14 0.83 0.20 0.23 0.00 0.00 176.35 177.91 3bal s ASN 124 N 1.41 6.22 0.03 2.29 0.01 -0.36 -0.89 114.94 123.64 3bal s ASN 124 Ca 0.02 -0.96 -0.30 0.00 -0.71 0.00 0.00 52.86 50.91 3bal s ASN 124 Cb -0.17 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 3bal s ASN 124 CO -0.02 -1.22 1.11 -0.36 -1.51 0.00 0.00 177.10 175.11 3bal s PHE 125 N 3.44 3.52 0.26 2.20 0.40 -0.14 -1.19 117.98 126.46 3bal s PHE 125 Ca 0.20 1.45 0.11 0.00 -0.60 0.00 0.00 56.93 58.09 3bal s PHE 125 Cb -0.18 -3.30 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 3bal s PHE 125 CO 0.11 -0.78 -0.12 0.96 0.70 0.00 0.00 175.22 176.09 3bal s ILE 126 N 1.10 2.89 0.17 0.64 -4.36 -0.57 -0.58 121.20 120.49 3bal s ILE 126 Ca 0.56 -2.13 -0.02 0.00 -0.26 0.00 0.00 60.65 58.80 3bal s ILE 126 Cb -0.26 -2.51 0.04 0.00 1.25 0.00 0.00 42.46 40.98 3bal s ILE 126 CO 0.28 -0.34 0.23 -0.90 0.24 0.00 0.00 174.94 174.45 3bal n ASP 127 N -0.59 0.16 0.08 4.36 5.68 -0.15 -4.61 116.55 121.47 3bal n ASP 127 Ca -0.07 -1.17 0.09 0.00 -0.50 0.00 0.00 54.79 53.14 3bal n ASP 127 Cb 0.59 -0.17 0.38 0.00 -1.14 0.00 0.00 41.12 40.79 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 -3.07 0.35 -0.91 -1.12 8.00 -1.26 -1.63 116.55 116.92 3bal n ASP 128 Ca 0.03 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.22 3bal n ASP 128 Cb 0.12 -0.67 0.22 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.91 3.40 0.00 -2.24 5.15 -1.26 -4.96 115.26 113.43 3bal n ASN 129 Ca 0.02 -2.11 0.00 0.00 -0.60 0.00 0.00 54.58 51.88 3bal n ASN 129 Cb 0.15 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 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 0.76 0.46 3.80 8.20 0.00 -0.64 -5.02 105.19 112.74 3bal n GLY 130 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 4.29 -0.03 1.61 -0.14 -1.26 -4.75 119.74 119.22 3bal s LYS 131 Ca 0.00 0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 55.15 3bal s LYS 131 Cb 0.00 -3.18 -0.06 0.00 -1.68 0.00 0.00 37.83 32.91 3bal s LYS 131 CO 0.00 0.58 1.52 0.08 -0.76 0.00 0.00 175.35 176.77 3bal s VAL 132 N -1.19 3.62 -0.08 3.17 1.01 -1.26 -0.98 120.40 124.69 3bal s VAL 132 Ca 0.33 0.91 0.19 0.00 0.00 0.00 0.00 61.98 63.40 3bal s VAL 132 Cb -0.20 -3.58 -0.28 0.00 0.00 0.00 0.00 36.38 32.32 3bal s VAL 132 CO 0.21 -0.04 0.32 2.30 0.00 0.00 0.00 175.10 177.89 3bal n ILE 133 N 5.04 0.39 -3.64 2.22 -5.35 0.26 -4.94 119.36 113.34 3bal n ILE 133 Ca 0.15 -0.56 -0.06 0.00 -0.27 0.00 0.00 62.75 62.01 3bal n ILE 133 Cb 0.43 -0.13 -0.07 0.00 -1.74 0.00 0.00 39.64 38.13 3bal n ILE 133 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bal s ALA 134 N -3.09 -2.03 -0.43 -1.28 0.00 -1.14 -5.02 121.76 108.77 3bal s ALA 134 Ca -0.08 2.24 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 3bal s ALA 134 Cb 0.10 -1.51 0.07 0.00 0.00 0.00 0.00 23.12 21.79 3bal s ALA 134 CO 0.80 -0.35 0.29 0.45 0.00 0.00 0.00 175.76 176.95 3bal s SER 135 N 1.24 5.75 -0.44 0.00 0.15 -1.26 -0.97 113.70 118.16 3bal s SER 135 Ca -0.07 -1.44 -0.16 0.00 0.70 0.00 0.00 55.95 54.98 3bal s SER 135 Cb -0.04 -2.03 0.04 0.00 -1.71 0.00 0.00 66.02 62.28 3bal s SER 135 CO -0.14 -0.55 0.38 -0.63 1.20 0.00 0.00 173.24 173.49 3bal s ILE 136 N 1.48 5.20 0.00 6.45 -1.09 -0.07 -4.86 121.20 128.31 3bal s ILE 136 Ca 0.03 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3bal s ILE 136 Cb -0.23 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3bal s ILE 136 CO 0.03 -0.46 0.00 0.61 -1.23 0.00 0.00 174.94 173.89 3bal n GLY 137 N 5.17 4.86 0.33 6.18 0.00 -1.26 -0.34 105.19 120.12 3bal n GLY 137 Ca -0.11 -2.07 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 0.16 1.02 -0.51 1.61 5.08 -1.85 -0.35 115.95 121.12 3bal h TRP 138 Ca 0.00 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.92 3bal h TRP 138 Cb 0.00 -0.33 -0.02 0.00 -3.00 0.00 0.00 29.16 25.81 3bal h TRP 138 CO 0.00 0.55 0.03 0.00 -1.28 0.00 0.00 178.44 177.74 3bal h ALA 139 N 1.39 0.68 -0.27 0.11 0.00 -1.96 0.28 119.26 119.48 3bal h ALA 139 Ca 0.36 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3bal h ALA 139 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3bal h ALA 139 CO -0.15 0.47 -0.51 0.93 0.00 0.00 0.00 179.25 179.99 3bal h GLU 140 N 0.75 0.77 -0.52 0.00 3.07 -1.85 -1.58 114.58 115.22 3bal h GLU 140 Ca 0.15 -0.47 -0.04 0.00 -0.50 0.00 0.00 59.36 58.50 3bal h GLU 140 Cb 0.48 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3bal h GLU 140 CO 0.02 1.09 0.17 0.00 -1.40 0.00 0.00 179.01 178.90 3bal h ALA 141 N 0.82 0.68 -0.60 3.43 0.00 -0.94 -2.03 119.26 120.62 3bal h ALA 141 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3bal h ALA 141 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3bal h ALA 141 CO 0.11 0.33 0.00 0.37 0.00 0.00 0.00 179.25 180.06 3bal h GLN 142 N 0.71 1.06 -0.55 0.00 4.15 -0.87 -0.71 115.11 118.89 3bal h GLN 142 Ca 0.17 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3bal h GLN 142 Cb 0.26 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3bal h GLN 142 CO -0.01 1.03 0.35 0.78 -1.93 0.00 0.00 178.83 179.06 3bal h GLY 143 N 1.00 0.79 0.81 2.39 0.00 -1.04 -1.23 103.07 105.78 3bal h GLY 143 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3bal h GLY 143 CO 0.03 0.30 -0.04 0.00 0.00 0.00 0.00 176.54 176.83 3bal h ALA 144 N 1.19 0.28 -0.56 3.60 0.00 -1.21 -1.35 119.26 121.21 3bal h ALA 144 Ca 0.20 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3bal h ALA 144 Cb -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3bal h ALA 144 CO -0.04 0.06 0.22 2.35 0.00 0.00 0.00 179.25 181.84 3bal h TRP 145 N 0.12 0.39 0.00 0.00 2.91 -0.93 -1.86 115.95 116.58 3bal h TRP 145 Ca 0.05 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.96 3bal h TRP 145 Cb 0.49 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 3bal h TRP 145 CO 0.05 0.13 -0.67 -0.07 -1.03 0.00 0.00 178.44 176.85 3bal h LEU 146 N 0.42 0.00 -1.03 0.65 3.38 -1.21 -0.44 115.31 117.08 3bal h LEU 146 Ca 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3bal h LEU 146 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3bal h LEU 146 CO -0.26 0.67 -0.33 0.00 0.09 0.00 0.00 178.44 178.61 3bal h ALA 147 N 1.33 1.18 0.07 1.53 0.00 -0.73 -3.25 119.26 119.38 3bal h ALA 147 Ca -0.01 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 3bal h ALA 147 Cb 1.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3bal h ALA 147 CO 0.09 0.54 -1.75 0.25 0.00 0.00 0.00 179.25 178.37 3bal n THR 148 N -4.09 1.67 0.07 0.00 -2.24 -0.75 -5.09 114.28 103.85 3bal n THR 148 Ca -0.01 -0.40 0.01 0.00 -2.27 0.00 0.00 64.05 61.37 3bal n THR 148 Cb 0.42 -1.85 0.03 0.00 -2.10 0.00 0.00 70.33 66.84 3bal n THR 148 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67