#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dum n PHE 5 N 0.00 1.62 0.02 2.03 3.72 -1.26 -4.11 117.46 119.47 2dum n PHE 5 Ca 0.00 -0.67 -0.04 0.00 -0.05 0.00 0.00 57.45 56.69 2dum n PHE 5 Cb 0.00 -0.46 0.18 0.00 -0.94 0.00 0.00 39.48 38.27 2dum n PHE 5 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2dum h ARG 6 N 2.54 0.48 -0.61 -1.08 0.11 -1.89 0.70 114.38 114.62 2dum h ARG 6 Ca 0.07 -0.20 -0.32 0.00 0.10 0.00 0.00 59.98 59.64 2dum h ARG 6 Cb 1.69 -0.02 -0.22 0.00 1.11 0.00 0.00 29.97 32.53 2dum h ARG 6 CO 0.43 0.72 -0.68 1.17 0.10 0.00 0.00 179.97 181.71 2dum n LYS 7 N -4.10 0.84 -2.04 0.08 4.81 -1.25 -1.00 118.16 115.51 2dum n LYS 7 Ca -0.01 -2.25 -0.32 0.00 -0.87 0.00 0.00 58.31 54.86 2dum n LYS 7 Cb 0.43 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.15 2dum n LYS 7 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2dum s VAL 8 N -0.11 4.17 0.17 3.15 -7.23 -0.55 -2.89 120.40 117.10 2dum s VAL 8 Ca 0.31 0.93 0.10 0.00 -1.81 0.00 0.00 61.98 61.51 2dum s VAL 8 Cb 0.25 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2dum s VAL 8 CO -0.16 -0.70 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.55 2dum s LEU 9 N -4.65 2.73 -0.29 1.32 1.98 -0.60 -1.80 118.68 117.36 2dum s LEU 9 Ca 0.60 -0.67 0.04 0.00 -2.89 0.00 0.00 54.13 51.21 2dum s LEU 9 Cb -0.13 -1.47 0.19 0.00 0.66 0.00 0.00 46.19 45.44 2dum s LEU 9 CO 0.41 0.13 0.57 0.12 -1.89 0.00 0.00 176.35 175.68 2dum s PHE 10 N -1.56 -1.72 -0.06 5.38 2.19 -0.77 -0.22 117.98 121.22 2dum s PHE 10 Ca 0.22 1.10 -0.30 0.00 0.33 0.00 0.00 56.93 58.28 2dum s PHE 10 Cb -0.09 0.30 -0.05 0.00 -1.31 0.00 0.00 43.02 41.88 2dum s PHE 10 CO 0.12 -1.04 1.46 -2.14 1.83 0.00 0.00 175.22 175.46 2dum s PRO 11 N 2.80 4.23 -0.14 10.12 0.02 -1.26 -1.81 135.00 148.97 2dum s PRO 11 Ca 0.12 1.98 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 2dum s PRO 11 Cb -0.11 -3.77 -0.04 0.00 0.02 0.00 0.00 34.50 30.60 2dum s PRO 11 CO -0.25 -0.71 0.05 -0.08 -0.33 0.00 0.00 177.00 175.67 2dum s THR 12 N 3.26 4.67 -2.69 0.99 -1.32 -0.49 -4.78 115.64 115.29 2dum s THR 12 Ca 0.65 -0.09 0.25 0.00 -1.21 0.00 0.00 61.69 61.29 2dum s THR 12 Cb -0.30 -3.05 0.36 0.00 -1.51 0.00 0.00 72.50 68.01 2dum s THR 12 CO 0.25 0.53 1.46 -0.67 -2.21 0.00 0.00 174.62 173.98 2dum n ASP 13 N 2.93 2.45 0.00 8.08 -0.08 -1.26 -4.59 116.55 124.08 2dum n ASP 13 Ca -0.18 -1.81 0.00 0.00 -1.51 0.00 0.00 54.79 51.29 2dum n ASP 13 Cb 0.53 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2dum n ASP 13 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2dum n PHE 14 N 0.89 0.00 -0.40 -0.67 3.72 -1.26 -4.90 117.46 114.85 2dum n PHE 14 Ca 0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.28 2dum n PHE 14 Cb 0.50 -0.73 0.28 0.00 -0.94 0.00 0.00 39.48 38.58 2dum n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2dum s SER 15 N -0.57 -0.09 0.12 4.37 1.04 -1.26 -4.88 113.70 112.43 2dum s SER 15 Ca 0.00 1.29 -0.24 0.00 0.48 0.00 0.00 55.95 57.47 2dum s SER 15 Cb 0.00 -1.95 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 2dum s SER 15 CO 0.00 -4.83 1.42 -0.33 0.98 0.00 0.00 173.24 170.48 2dum h GLU 16 N -3.05 -0.04 -0.73 4.02 4.39 -1.91 -3.05 114.58 114.22 2dum h GLU 16 Ca -0.56 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.26 2dum h GLU 16 Cb 1.34 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 2dum h GLU 16 CO 0.42 -0.03 0.48 0.78 -1.16 0.00 0.00 179.01 179.51 2dum h GLY 17 N -0.04 0.76 0.88 -3.84 0.00 -1.61 -0.45 103.07 98.77 2dum h GLY 17 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 2dum h GLY 17 CO -0.69 0.10 -0.30 0.00 0.00 0.00 0.00 176.54 175.65 2dum h ALA 18 N 1.65 0.31 -0.05 3.60 0.00 -1.78 -0.44 119.26 122.54 2dum h ALA 18 Ca 0.35 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 2dum h ALA 18 Cb 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dum h ALA 18 CO -0.12 0.33 -0.87 1.88 0.00 0.00 0.00 179.25 180.47 2dum h TYR 19 N 0.23 0.76 -0.52 0.00 -1.99 -1.04 -3.06 116.97 111.34 2dum h TYR 19 Ca 0.02 -0.38 0.01 0.00 2.00 0.00 0.00 58.73 60.39 2dum h TYR 19 Cb 0.88 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.48 2dum h TYR 19 CO 0.09 1.18 0.33 0.00 -0.00 0.00 0.00 178.16 179.76 2dum h ARG 20 N 0.33 0.65 -0.65 4.88 2.47 -1.14 -2.18 114.38 118.74 2dum h ARG 20 Ca -0.07 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.70 2dum h ARG 20 Cb 1.49 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.63 2dum h ARG 20 CO 0.16 0.43 0.43 0.00 0.56 0.00 0.00 179.97 181.55 2dum h ALA 21 N 1.21 1.89 -0.01 0.04 0.00 -1.05 0.19 119.26 121.53 2dum h ALA 21 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dum h ALA 21 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2dum h ALA 21 CO -0.07 -0.02 -0.00 0.28 0.00 0.00 0.00 179.25 179.45 2dum h VAL 22 N 0.54 1.28 -0.02 0.00 2.07 -1.34 0.10 116.25 118.88 2dum h VAL 22 Ca 0.29 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2dum h VAL 22 Cb 0.43 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2dum h VAL 22 CO -0.09 0.21 -0.36 -0.33 0.02 0.00 0.00 177.57 177.02 2dum h GLU 23 N -0.32 -0.49 -0.69 1.57 5.08 -0.64 0.49 114.58 119.57 2dum h GLU 23 Ca 0.00 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2dum h GLU 23 Cb 0.35 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 2dum h GLU 23 CO 0.00 -0.32 0.27 0.28 -1.00 0.00 0.00 179.01 178.24 2dum h VAL 24 N -0.51 0.71 -0.75 3.13 2.07 -0.51 1.55 116.25 121.95 2dum h VAL 24 Ca 0.06 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2dum h VAL 24 Cb 0.60 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2dum h VAL 24 CO -0.30 0.08 0.35 0.15 0.02 0.00 0.00 177.57 177.87 2dum h PHE 25 N 0.44 1.09 -0.49 1.57 3.57 -0.47 0.22 116.94 122.86 2dum h PHE 25 Ca 0.37 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2dum h PHE 25 Cb 0.50 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2dum h PHE 25 CO -0.17 0.80 0.29 1.49 -2.23 0.00 0.00 178.31 178.50 2dum h GLU 26 N 1.05 0.56 0.08 1.11 4.57 0.41 0.65 114.58 123.01 2dum h GLU 26 Ca 0.26 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2dum h GLU 26 Cb 0.13 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2dum h GLU 26 CO -0.03 0.37 -0.04 -0.22 -1.18 0.00 0.00 179.01 177.91 2dum h LYS 27 N 0.57 -0.11 -0.17 1.92 3.11 0.10 -3.35 116.57 118.64 2dum h LYS 27 Ca 0.20 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.10 2dum h LYS 27 Cb 0.03 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.22 2dum h LYS 27 CO -0.10 0.44 -0.26 0.00 -2.81 0.00 0.00 179.45 176.72 2dum h ARG 28 N -0.83 -0.30 -6.12 1.90 3.08 -0.59 -3.44 114.38 108.07 2dum h ARG 28 Ca -0.01 0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 2dum h ARG 28 Cb 0.60 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 2dum h ARG 28 CO 0.02 -0.20 -0.04 1.21 -1.07 0.00 0.00 179.97 179.89 2dum s ASN 29 N -4.98 6.99 0.00 7.04 2.47 0.23 -4.99 114.94 121.69 2dum s ASN 29 Ca -0.15 1.17 0.00 0.00 0.42 0.00 0.00 52.86 54.30 2dum s ASN 29 Cb 0.11 -2.35 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 2dum s ASN 29 CO 0.67 0.17 0.53 0.29 -3.72 0.00 0.00 177.10 175.04 2dum n LYS 30 N 2.34 -0.41 -2.22 0.43 5.02 -1.26 -4.73 118.16 117.34 2dum n LYS 30 Ca -0.09 -0.59 -0.26 0.00 -2.02 0.00 0.00 58.31 55.35 2dum n LYS 30 Cb 0.51 -0.96 0.09 0.00 -0.02 0.00 0.00 35.03 34.65 2dum n LYS 30 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dum s MET 31 N -0.13 1.95 -0.23 1.97 -1.94 -1.26 -5.02 119.30 114.64 2dum s MET 31 Ca 0.00 -0.38 -0.02 0.00 -1.71 0.00 0.00 55.69 53.58 2dum s MET 31 Cb 0.00 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.70 2dum s MET 31 CO 0.00 -1.40 -0.08 -1.83 -0.01 0.00 0.00 175.02 171.70 2dum s GLU 32 N -5.31 3.02 0.46 2.03 -1.05 -1.26 -4.71 118.70 111.88 2dum s GLU 32 Ca 0.62 -0.85 -0.25 0.00 -0.15 0.00 0.00 54.97 54.34 2dum s GLU 32 Cb -0.09 -2.93 -0.08 0.00 -0.44 0.00 0.00 34.13 30.59 2dum s GLU 32 CO 0.46 -0.31 1.44 0.08 0.95 0.00 0.00 175.26 177.87 2dum s VAL 33 N 1.37 2.01 0.00 1.83 1.01 -1.19 -4.87 120.40 120.56 2dum s VAL 33 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2dum s VAL 33 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2dum s VAL 33 CO -0.05 0.00 0.12 0.61 0.00 0.00 0.00 175.10 175.78 2dum n GLY 34 N 0.57 0.61 3.26 4.51 0.00 0.24 -1.13 105.19 113.25 2dum n GLY 34 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2dum n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dum s GLU 35 N -0.27 1.76 -0.13 1.61 2.12 -0.17 -1.24 118.70 122.38 2dum s GLU 35 Ca 0.00 -0.87 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 2dum s GLU 35 Cb 0.00 -1.76 -0.02 0.00 0.26 0.00 0.00 34.13 32.61 2dum s GLU 35 CO 0.00 0.47 -0.11 0.54 -0.54 0.00 0.00 175.26 175.62 2dum s VAL 36 N -0.60 3.24 -0.26 3.70 0.11 -0.13 -1.49 120.40 124.96 2dum s VAL 36 Ca 0.09 -0.60 -0.10 0.00 -2.93 0.00 0.00 61.98 58.43 2dum s VAL 36 Cb -0.09 -2.36 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 2dum s VAL 36 CO -0.00 0.53 0.17 -0.63 -3.33 0.00 0.00 175.10 171.83 2dum s ILE 37 N 0.23 5.23 -0.83 7.04 1.01 -0.75 -2.00 121.20 131.14 2dum s ILE 37 Ca -0.07 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2dum s ILE 37 Cb -0.15 -3.47 0.14 0.00 0.01 0.00 0.00 42.46 38.99 2dum s ILE 37 CO 0.05 0.29 0.96 -0.22 0.00 0.00 0.00 174.94 176.02 2dum s LEU 38 N 1.49 5.47 0.43 2.97 2.96 -0.90 -1.86 118.68 129.24 2dum s LEU 38 Ca 0.07 -2.02 -0.15 0.00 -0.22 0.00 0.00 54.13 51.82 2dum s LEU 38 Cb -0.15 -2.34 -0.08 0.00 0.50 0.00 0.00 46.19 44.12 2dum s LEU 38 CO 0.08 -0.98 0.86 -0.22 -1.32 0.00 0.00 176.35 174.77 2dum s LEU 39 N 2.19 3.81 -0.14 -0.68 2.96 -0.75 -3.40 118.68 122.68 2dum s LEU 39 Ca 0.25 1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 55.49 2dum s LEU 39 Cb -0.10 -4.26 0.07 0.00 0.50 0.00 0.00 46.19 42.40 2dum s LEU 39 CO -0.05 -0.42 0.26 -2.28 -1.32 0.00 0.00 176.35 172.54 2dum s HIS 40 N -2.37 -0.42 -0.37 5.38 5.65 -0.70 -1.39 115.29 121.08 2dum s HIS 40 Ca 0.56 0.92 -0.07 0.00 0.25 0.00 0.00 55.06 56.72 2dum s HIS 40 Cb -0.10 -0.06 0.06 0.00 -1.18 0.00 0.00 32.58 31.30 2dum s HIS 40 CO 0.27 -0.38 0.15 0.08 -0.65 0.00 0.00 174.74 174.21 2dum s VAL 41 N 2.42 3.83 -0.16 0.89 1.01 -1.26 -2.32 120.40 124.81 2dum s VAL 41 Ca 0.02 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 2dum s VAL 41 Cb -0.12 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2dum s VAL 41 CO -0.09 -0.32 1.15 -0.51 0.00 0.00 0.00 175.10 175.33 2dum s ILE 42 N 1.38 4.47 -0.08 2.22 1.10 -0.33 -4.74 121.20 125.21 2dum s ILE 42 Ca 0.01 1.77 -0.30 0.00 -0.51 0.00 0.00 60.65 61.62 2dum s ILE 42 Cb -0.21 -4.14 -0.04 0.00 0.15 0.00 0.00 42.46 38.22 2dum s ILE 42 CO 0.02 -0.11 1.46 -0.62 -2.11 0.00 0.00 174.94 173.58 2dum s ASP 43 N 1.53 6.81 0.16 4.50 2.15 -1.25 -1.42 116.67 129.14 2dum s ASP 43 Ca 0.51 2.01 -0.17 0.00 0.43 0.00 0.00 52.55 55.33 2dum s ASP 43 Cb -0.20 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 39.96 2dum s ASP 43 CO 0.14 -0.82 1.69 -0.08 -0.17 0.00 0.00 175.17 175.92 2dum h GLU 44 N 8.67 0.04 -0.13 4.34 4.57 0.11 -2.96 114.58 129.22 2dum h GLU 44 Ca -0.34 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 2dum h GLU 44 Cb 1.15 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2dum h GLU 44 CO 0.95 0.03 -0.15 0.78 -1.18 0.00 0.00 179.01 179.44 2dum h GLY 45 N 0.04 -1.78 0.77 1.92 0.00 -1.92 -3.33 103.07 98.77 2dum h GLY 45 Ca 0.18 0.85 0.07 0.00 0.00 0.00 0.00 47.33 48.42 2dum h GLY 45 CO -0.34 -0.61 0.63 -0.91 0.00 0.00 0.00 176.54 175.31 2dum h THR 46 N -0.09 1.08 0.00 4.70 1.35 -1.89 0.45 112.91 118.50 2dum h THR 46 Ca 0.02 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2dum h THR 46 Cb 0.15 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2dum h THR 46 CO -0.17 0.21 0.00 0.17 -0.25 0.00 0.00 175.52 175.47 2dum h LEU 47 N 1.13 0.00 -0.91 3.87 8.10 -1.66 -3.20 115.31 122.63 2dum h LEU 47 Ca 0.42 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.42 2dum h LEU 47 Cb 0.19 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.36 2dum h LEU 47 CO -0.17 0.00 0.60 -0.33 -4.11 0.00 0.00 178.44 174.44 2dum h GLU 48 N 0.00 1.20 -3.08 0.17 3.07 -0.22 1.60 114.58 117.32 2dum h GLU 48 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2dum h GLU 48 Cb 0.01 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.65 2dum h GLU 48 CO 0.00 0.79 0.02 -1.91 -1.40 0.00 0.00 179.01 176.52 2dum n GLU 49 N -4.45 0.00 -1.17 2.33 4.07 -1.21 -4.15 120.64 116.07 2dum n GLU 49 Ca 0.10 -0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.96 2dum n GLU 49 Cb 0.01 -0.58 0.03 0.00 -0.06 0.00 0.00 31.44 30.84 2dum n GLU 49 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2dum n LEU 50 N 1.64 6.78 -3.91 4.31 7.94 0.54 -5.10 117.00 129.21 2dum n LEU 50 Ca 0.00 -3.75 -0.43 0.00 -1.11 0.00 0.00 56.01 50.72 2dum n LEU 50 Cb 0.00 -1.08 0.01 0.00 0.53 0.00 0.00 43.42 42.88 2dum n LEU 50 CO 0.01 1.41 1.41 0.23 -1.11 0.00 0.00 177.39 179.34 2dum n MET 51 N 0.16 4.40 -0.84 1.96 2.81 -1.26 -5.20 117.12 119.15 2dum n MET 51 Ca 0.42 -4.29 0.01 0.00 -1.81 0.00 0.00 57.70 52.03 2dum n MET 51 Cb 0.57 -2.61 -0.01 0.00 -0.71 0.00 0.00 33.22 30.47 2dum n MET 51 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2dum n GLU 64 N 1.76 -2.18 0.00 0.03 1.02 -1.26 -5.24 120.64 114.78 2dum n GLU 64 Ca 0.33 1.70 0.00 0.00 -0.02 0.00 0.00 57.16 59.17 2dum n GLU 64 Cb 0.33 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2dum n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dum n LEU 65 N -2.22 0.00 -2.14 -4.62 7.94 -1.26 -4.99 117.00 109.71 2dum n LEU 65 Ca -0.01 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.66 2dum n LEU 65 Cb 0.27 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.37 2dum n LEU 65 CO 0.00 0.00 1.25 0.29 -1.11 0.00 0.00 177.39 177.82 2dum n LYS 66 N 0.00 2.19 -0.32 1.96 4.76 -1.26 -3.79 118.16 121.71 2dum n LYS 66 Ca 0.00 -2.77 0.01 0.00 -2.87 0.00 0.00 58.31 52.68 2dum n LYS 66 Cb 0.00 -2.09 0.01 0.00 -1.84 0.00 0.00 35.03 31.12 2dum n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dum n ASP 67 N -0.96 0.31 0.07 4.39 10.43 -1.26 -4.19 116.55 125.34 2dum n ASP 67 Ca 0.55 -1.86 -0.04 0.00 2.57 0.00 0.00 54.79 56.01 2dum n ASP 67 Cb 1.45 -0.17 -0.08 0.00 1.84 0.00 0.00 41.12 44.16 2dum n ASP 67 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 2dum h ILE 68 N 5.05 1.31 -0.48 0.53 6.09 -1.96 -3.03 117.51 125.01 2dum h ILE 68 Ca 0.00 -2.92 0.07 0.00 -1.37 0.00 0.00 64.86 60.64 2dum h ILE 68 Cb 1.23 2.63 -0.09 0.00 0.47 0.00 0.00 36.82 41.05 2dum h ILE 68 CO 0.00 0.74 -0.49 0.50 -3.07 0.00 0.00 178.15 175.84 2dum h LYS 69 N 0.00 -0.30 -0.01 2.19 3.64 -1.83 -2.60 116.57 117.65 2dum h LYS 69 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2dum h LYS 69 Cb 1.68 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2dum h LYS 69 CO 0.10 -0.20 -0.05 0.39 -2.27 0.00 0.00 179.45 177.42 2dum n GLU 70 N -5.39 1.26 0.20 1.90 1.02 -1.16 -0.42 120.64 118.04 2dum n GLU 70 Ca -0.01 -0.57 0.12 0.00 -0.02 0.00 0.00 57.16 56.68 2dum n GLU 70 Cb 0.34 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.41 2dum n GLU 70 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dum h LYS 71 N 1.39 0.00 0.00 3.49 1.63 -1.37 -3.24 116.57 118.46 2dum h LYS 71 Ca 0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 2dum h LYS 71 Cb 0.36 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2dum h LYS 71 CO 0.00 0.00 -0.71 -0.07 -3.45 0.00 0.00 179.45 175.22 2dum h LEU 72 N 0.00 0.00 0.97 5.20 4.07 -0.38 -2.57 115.31 122.61 2dum h LEU 72 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2dum h LEU 72 Cb 1.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.75 2dum h LEU 72 CO 0.00 0.71 -0.47 0.50 -1.08 0.00 0.00 178.44 178.11 2dum h LYS 73 N 0.00 -1.26 -0.32 1.13 3.11 -1.45 -0.27 116.57 117.51 2dum h LYS 73 Ca -0.01 0.09 -0.07 0.00 -2.81 0.00 0.00 60.65 57.85 2dum h LYS 73 Cb 1.30 0.29 -0.02 0.00 -1.00 0.00 0.00 32.23 32.80 2dum h LYS 73 CO 0.09 -0.84 -0.11 1.05 -2.81 0.00 0.00 179.45 176.83 2dum h GLU 74 N -1.32 0.54 -0.99 1.90 4.11 -1.65 0.19 114.58 117.36 2dum h GLU 74 Ca -0.13 -0.15 0.29 0.00 0.07 0.00 0.00 59.36 59.43 2dum h GLU 74 Cb 1.00 -0.06 -0.18 0.00 0.50 0.00 0.00 28.75 30.01 2dum h GLU 74 CO 0.22 0.64 0.08 0.93 0.07 0.00 0.00 179.01 180.95 2dum h GLU 75 N 0.50 0.01 0.00 1.06 4.39 -1.43 0.89 114.58 119.99 2dum h GLU 75 Ca 0.09 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2dum h GLU 75 Cb 0.49 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2dum h GLU 75 CO 0.03 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 2dum n ALA 76 N -3.06 -0.15 0.22 3.43 0.00 0.59 -3.15 120.51 118.38 2dum n ALA 76 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.69 2dum n ALA 76 Cb 0.81 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.30 2dum n ALA 76 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dum h SER 77 N 0.00 0.00 0.00 0.00 0.02 -1.18 -1.53 113.55 110.86 2dum h SER 77 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dum h SER 77 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dum h SER 77 CO 0.00 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 174.55 2dum n ARG 78 N -2.01 0.00 0.18 3.45 0.00 0.29 -1.76 116.66 116.81 2dum n ARG 78 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.98 2dum n ARG 78 Cb 0.79 -0.84 0.58 0.00 0.00 0.00 0.00 32.46 32.98 2dum n ARG 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2dum h LYS 79 N 0.00 0.00 0.00 -0.14 2.10 -1.34 -2.40 116.57 114.78 2dum h LYS 79 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2dum h LYS 79 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2dum h LYS 79 CO 0.00 0.00 -0.87 1.25 -2.00 0.00 0.00 179.45 177.83 2dum h LEU 80 N 0.00 0.00 0.00 7.07 7.12 -1.44 -1.10 115.31 126.96 2dum h LEU 80 Ca 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.76 2dum h LEU 80 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2dum h LEU 80 CO 0.00 1.11 0.00 1.67 -0.13 0.00 0.00 178.44 181.09 2dum n GLN 81 N -4.53 0.35 -0.05 1.25 0.00 -0.72 -0.58 117.38 113.09 2dum n GLN 81 Ca -0.19 0.05 -0.01 0.00 -0.00 0.00 0.00 57.00 56.85 2dum n GLN 81 Cb 0.47 -1.50 -0.16 0.00 0.00 0.00 0.00 30.24 29.05 2dum n GLN 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2dum n GLU 82 N -1.29 0.67 0.00 3.69 -0.00 -0.91 -4.01 120.64 118.79 2dum n GLU 82 Ca 0.12 -0.07 0.13 0.00 -0.00 0.00 0.00 57.16 57.33 2dum n GLU 82 Cb 0.20 -1.54 0.63 0.00 -0.00 0.00 0.00 31.44 30.72 2dum n GLU 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2dum n LYS 83 N -2.56 0.30 -0.14 3.44 4.81 -0.42 -2.69 118.16 120.90 2dum n LYS 83 Ca -0.20 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.26 2dum n LYS 83 Cb 0.90 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 34.49 2dum n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dum h ALA 84 N 3.15 0.43 -0.00 3.14 0.00 -0.98 -2.95 119.26 122.06 2dum h ALA 84 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dum h ALA 84 Cb 0.28 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dum h ALA 84 CO 0.00 -0.37 -0.36 -1.91 0.00 0.00 0.00 179.25 176.61 2dum n GLU 85 N -5.19 0.21 -0.06 0.00 4.07 -1.09 -3.03 120.64 115.55 2dum n GLU 85 Ca 0.04 -0.11 -0.08 0.00 -0.06 0.00 0.00 57.16 56.95 2dum n GLU 85 Cb 0.23 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.96 2dum n GLU 85 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2dum n GLU 86 N -1.30 0.66 -0.09 5.31 0.00 -1.21 -3.68 120.64 120.34 2dum n GLU 86 Ca 0.08 0.12 -0.07 0.00 0.00 0.00 0.00 57.16 57.28 2dum n GLU 86 Cb 0.33 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.13 2dum n GLU 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2dum h VAL 87 N 0.00 0.91 -0.86 6.31 2.07 -1.62 0.34 116.25 123.40 2dum h VAL 87 Ca -0.41 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.18 2dum h VAL 87 Cb 2.09 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 32.41 2dum h VAL 87 CO 0.05 0.04 0.44 0.50 0.02 0.00 0.00 177.57 178.62 2dum h LYS 88 N 0.24 0.58 0.00 1.57 3.64 -1.70 0.21 116.57 121.11 2dum h LYS 88 Ca 0.14 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2dum h LYS 88 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2dum h LYS 88 CO -0.15 0.39 -0.43 -0.09 -2.27 0.00 0.00 179.45 176.90 2dum h ARG 89 N 0.60 0.00 0.00 1.90 2.43 -1.53 0.75 114.38 118.54 2dum h ARG 89 Ca 0.48 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.61 2dum h ARG 89 Cb 0.72 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2dum h ARG 89 CO -0.38 0.43 -0.26 0.00 -1.51 0.00 0.00 179.97 178.25 2dum h ALA 90 N 1.57 0.05 0.00 2.80 0.00 0.23 -3.28 119.26 120.63 2dum h ALA 90 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dum h ALA 90 Cb 1.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dum h ALA 90 CO 0.06 0.16 0.15 1.19 0.00 0.00 0.00 179.25 180.81 2dum n PHE 91 N -4.61 0.07 -3.67 0.00 3.01 0.45 -4.55 117.46 108.15 2dum n PHE 91 Ca -0.12 0.04 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 2dum n PHE 91 Cb 0.41 -0.42 0.04 0.00 -0.01 0.00 0.00 39.48 39.49 2dum n PHE 91 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2dum n ARG 92 N -1.46 -4.82 -2.97 -1.08 1.74 -0.91 -3.26 116.66 103.90 2dum n ARG 92 Ca -0.00 0.63 -0.40 0.00 -0.77 0.00 0.00 57.85 57.31 2dum n ARG 92 Cb 0.15 -5.20 -0.05 0.00 -1.02 0.00 0.00 32.46 26.35 2dum n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dum s ALA 93 N -3.64 3.39 0.38 7.54 0.00 0.21 -3.15 121.76 126.50 2dum s ALA 93 Ca 0.02 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.41 2dum s ALA 93 Cb -0.01 -3.00 0.76 0.00 0.00 0.00 0.00 23.12 20.88 2dum s ALA 93 CO 0.81 0.15 1.89 0.87 0.00 0.00 0.00 175.76 179.48 2dum h LYS 94 N 5.14 0.19 -3.53 0.00 1.57 -0.59 -3.46 116.57 115.90 2dum h LYS 94 Ca -0.45 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 2dum h LYS 94 Cb 1.21 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.33 2dum h LYS 94 CO 0.69 0.38 -0.33 -0.80 -0.57 0.00 0.00 179.45 178.83 2dum s ASN 95 N -6.90 -0.01 0.24 0.86 -0.87 -0.37 -5.00 114.94 102.89 2dum s ASN 95 Ca -0.05 -0.38 0.04 0.00 -1.57 0.00 0.00 52.86 50.90 2dum s ASN 95 Cb 0.15 0.33 -0.05 0.00 -0.02 0.00 0.00 41.25 41.66 2dum s ASN 95 CO 0.73 -0.63 -0.01 0.54 -2.57 0.00 0.00 177.10 175.16 2dum s VAL 96 N -2.93 1.10 0.20 1.60 0.11 -1.26 -0.96 120.40 118.26 2dum s VAL 96 Ca -0.02 -2.04 -0.07 0.00 -2.93 0.00 0.00 61.98 56.91 2dum s VAL 96 Cb 0.01 -2.35 0.03 0.00 -1.53 0.00 0.00 36.38 32.53 2dum s VAL 96 CO -0.06 -0.32 0.40 -2.11 -3.33 0.00 0.00 175.10 169.68 2dum n ARG 97 N -0.44 0.58 -4.38 1.54 1.85 -0.84 -4.89 116.66 110.08 2dum n ARG 97 Ca -0.05 -1.18 -0.20 0.00 -1.00 0.00 0.00 57.85 55.42 2dum n ARG 97 Cb 0.64 1.45 -0.13 0.00 -1.05 0.00 0.00 32.46 33.36 2dum n ARG 97 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dum s THR 98 N -2.54 1.14 0.01 8.89 -4.23 -1.26 -2.12 115.64 115.54 2dum s THR 98 Ca 0.09 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2dum s THR 98 Cb -0.02 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2dum s THR 98 CO 0.06 0.03 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.54 2dum s ILE 99 N -0.83 0.08 -0.08 2.99 1.01 -1.22 -4.91 121.20 118.24 2dum s ILE 99 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2dum s ILE 99 Cb -0.08 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.21 2dum s ILE 99 CO 0.01 -0.35 -0.03 -0.63 0.00 0.00 0.00 174.94 173.94 2dum s ILE 100 N -1.04 0.63 0.15 2.92 1.09 -1.26 -1.71 121.20 121.97 2dum s ILE 100 Ca -0.11 -0.06 0.07 0.00 -1.10 0.00 0.00 60.65 59.44 2dum s ILE 100 Cb -0.07 -0.72 -0.04 0.00 -1.06 0.00 0.00 42.46 40.57 2dum s ILE 100 CO -0.01 0.29 -0.15 -0.13 -0.10 0.00 0.00 174.94 174.85 2dum s ARG 101 N 1.70 1.14 0.17 2.79 1.81 -0.98 -5.00 118.95 120.58 2dum s ARG 101 Ca 0.02 -1.37 -0.10 0.00 -1.72 0.00 0.00 55.73 52.56 2dum s ARG 101 Cb -0.13 -1.00 -0.07 0.00 -0.45 0.00 0.00 34.95 33.30 2dum s ARG 101 CO -0.05 0.18 0.50 -0.06 -0.68 0.00 0.00 175.30 175.19 2dum s PHE 102 N -2.44 3.50 -5.00 -0.53 0.40 -1.26 -1.18 117.98 111.47 2dum s PHE 102 Ca 0.14 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 2dum s PHE 102 Cb -0.03 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2dum s PHE 102 CO 0.04 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.75 2dum n GLY 103 N 0.31 0.43 3.61 4.36 0.00 -0.51 -4.87 105.19 108.53 2dum n GLY 103 Ca -0.03 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2dum n GLY 103 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dum s ILE 104 N -3.69 5.14 0.00 -0.61 -0.00 -1.26 0.15 121.20 120.93 2dum s ILE 104 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 60.65 61.34 2dum s ILE 104 Cb 0.00 -3.75 0.00 0.00 -0.00 0.00 0.00 42.46 38.71 2dum s ILE 104 CO 0.00 0.14 0.76 -2.65 -0.00 0.00 0.00 174.94 173.19 2dum n PRO 105 N 5.33 0.00 0.25 0.37 -0.02 -1.26 -0.22 135.00 139.44 2dum n PRO 105 Ca -0.07 0.76 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 2dum n PRO 105 Cb 0.50 -1.14 0.87 0.00 -0.02 0.00 0.00 33.50 33.72 2dum n PRO 105 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2dum h TRP 106 N 0.00 0.00 0.05 6.00 0.09 -1.94 0.23 115.95 120.38 2dum h TRP 106 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 58.89 58.68 2dum h TRP 106 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.21 2dum h TRP 106 CO -0.71 0.00 -1.63 0.22 0.09 0.00 0.00 178.44 176.41 2dum h ASP 107 N 0.00 0.16 0.05 0.11 -0.00 -1.01 -2.27 116.42 113.47 2dum h ASP 107 Ca 0.06 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.03 56.80 2dum h ASP 107 Cb 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 2dum h ASP 107 CO -0.00 1.25 -0.02 -0.33 -0.00 0.00 0.00 179.24 180.14 2dum h GLU 108 N 0.03 -0.07 -0.86 0.28 4.39 0.48 -0.14 114.58 118.69 2dum h GLU 108 Ca -0.27 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.57 2dum h GLU 108 Cb 1.99 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 30.52 2dum h GLU 108 CO 0.11 0.45 -0.33 -0.89 -1.16 0.00 0.00 179.01 177.19 2dum n ILE 109 N -4.86 -0.45 0.06 3.13 2.08 -0.52 0.04 119.36 118.84 2dum n ILE 109 Ca -0.09 2.01 -0.09 0.00 0.56 0.00 0.00 62.75 65.14 2dum n ILE 109 Cb 0.28 -2.66 0.02 0.00 -0.75 0.00 0.00 39.64 36.53 2dum n ILE 109 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2dum h VAL 110 N 0.00 1.40 0.31 1.39 2.07 -1.32 0.61 116.25 120.71 2dum h VAL 110 Ca 0.30 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 2dum h VAL 110 Cb 0.52 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2dum h VAL 110 CO -0.85 0.67 -0.15 0.11 0.02 0.00 0.00 177.57 177.37 2dum h LYS 111 N 0.23 -0.40 -0.27 1.57 1.57 0.68 -2.34 116.57 117.60 2dum h LYS 111 Ca -0.04 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2dum h LYS 111 Cb 1.35 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 2dum h LYS 111 CO 0.13 -0.16 -0.30 0.28 -0.57 0.00 0.00 179.45 178.82 2dum h VAL 112 N -0.56 1.28 0.09 0.50 2.07 -0.32 -2.49 116.25 116.82 2dum h VAL 112 Ca -0.04 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2dum h VAL 112 Cb 0.41 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2dum h VAL 112 CO 0.07 0.45 -0.53 0.00 0.02 0.00 0.00 177.57 177.58 2dum h ALA 113 N 1.18 -0.97 -0.28 1.67 0.00 -0.79 -2.51 119.26 117.57 2dum h ALA 113 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2dum h ALA 113 Cb 0.77 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2dum h ALA 113 CO 0.06 -1.12 -0.01 1.49 0.00 0.00 0.00 179.25 179.67 2dum h GLU 114 N -0.73 0.42 0.00 0.00 4.57 -1.09 -2.74 114.58 115.01 2dum h GLU 114 Ca 0.00 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 2dum h GLU 114 Cb 0.75 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2dum h GLU 114 CO -0.30 0.46 -0.75 0.93 -1.18 0.00 0.00 179.01 178.16 2dum h GLU 115 N 0.41 0.00 -0.66 1.92 5.08 -1.28 -3.11 114.58 116.94 2dum h GLU 115 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2dum h GLU 115 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2dum h GLU 115 CO 0.01 0.75 0.01 0.39 -1.00 0.00 0.00 179.01 179.18 2dum n GLU 116 N -3.50 4.21 -3.08 2.33 4.71 -0.96 -4.97 120.64 119.38 2dum n GLU 116 Ca -0.00 -2.63 -0.13 0.00 -0.01 0.00 0.00 57.16 54.39 2dum n GLU 116 Cb 0.77 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 2dum n GLU 116 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2dum n ASN 117 N 0.48 -2.39 -4.89 1.62 4.05 -1.18 -4.90 115.26 108.06 2dum n ASN 117 Ca 0.24 -0.46 -0.29 0.00 0.45 0.00 0.00 54.58 54.52 2dum n ASN 117 Cb 1.06 -0.79 -0.02 0.00 1.23 0.00 0.00 39.78 41.26 2dum n ASN 117 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2dum s VAL 118 N -2.36 4.85 0.06 3.44 -7.23 -1.23 -5.00 120.40 112.93 2dum s VAL 118 Ca 0.01 0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 60.52 2dum s VAL 118 Cb -0.00 -3.80 -0.30 0.00 0.56 0.00 0.00 36.38 32.84 2dum s VAL 118 CO 0.45 -0.68 1.08 0.77 -0.31 0.00 0.00 175.10 176.41 2dum h SER 119 N 0.76 0.51 -5.02 4.85 4.64 -1.82 -3.48 113.55 114.00 2dum h SER 119 Ca -0.47 -0.56 -0.10 0.00 -0.47 0.00 0.00 61.79 60.19 2dum h SER 119 Cb 1.20 -0.17 -0.18 0.00 -0.31 0.00 0.00 62.40 62.94 2dum h SER 119 CO 0.63 1.44 -0.22 -0.22 -0.87 0.00 0.00 176.83 177.59 2dum s LEU 120 N -7.22 0.72 -0.07 5.97 2.96 -1.26 -4.39 118.68 115.39 2dum s LEU 120 Ca -0.05 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2dum s LEU 120 Cb 0.06 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 48.16 2dum s LEU 120 CO 0.89 -0.54 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.75 2dum s ILE 121 N -1.90 3.23 -0.07 6.68 2.07 -0.17 -1.56 121.20 129.48 2dum s ILE 121 Ca -0.09 -0.65 0.05 0.00 -1.41 0.00 0.00 60.65 58.54 2dum s ILE 121 Cb -0.03 -2.29 -0.01 0.00 0.13 0.00 0.00 42.46 40.26 2dum s ILE 121 CO 0.01 0.58 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.77 2dum s ILE 122 N -0.57 2.28 0.03 2.00 1.01 0.69 0.48 121.20 127.11 2dum s ILE 122 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2dum s ILE 122 Cb -0.11 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2dum s ILE 122 CO 0.01 0.57 -0.07 -0.76 0.00 0.00 0.00 174.94 174.69 2dum s LEU 123 N -0.07 2.18 0.42 2.97 2.01 0.19 -3.99 118.68 122.38 2dum s LEU 123 Ca -0.06 -0.41 -0.22 0.00 0.01 0.00 0.00 54.13 53.45 2dum s LEU 123 Cb -0.14 -0.18 -0.10 0.00 0.01 0.00 0.00 46.19 45.78 2dum s LEU 123 CO 0.05 -0.13 1.00 -2.84 1.01 0.00 0.00 176.35 175.43 2dum s PRO 124 N -1.13 4.14 0.00 1.29 0.02 -1.26 -0.85 135.00 137.21 2dum s PRO 124 Ca -0.07 1.31 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 2dum s PRO 124 Cb -0.08 -2.33 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 2dum s PRO 124 CO 0.00 -0.13 0.78 0.66 -0.33 0.00 0.00 177.00 177.98 2dum h SER 125 N 2.12 -0.02 -3.86 2.53 4.64 -1.21 -3.44 113.55 114.31 2dum h SER 125 Ca -0.49 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.15 2dum h SER 125 Cb 1.20 0.01 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 2dum h SER 125 CO 0.61 -0.01 -0.73 0.00 -0.87 0.00 0.00 176.83 175.82 2dum s ARG 126 N -2.60 2.62 0.04 4.77 1.04 -1.25 -4.28 118.95 119.29 2dum s ARG 126 Ca -0.00 -0.63 -0.18 0.00 -1.04 0.00 0.00 55.73 53.88 2dum s ARG 126 Cb 0.00 -2.48 -0.19 0.00 -2.04 0.00 0.00 34.95 30.25 2dum s ARG 126 CO 0.01 0.64 1.22 0.78 -0.04 0.00 0.00 175.30 177.91 2dum h GLY 127 N 5.31 0.58 0.00 3.88 0.00 -1.87 -3.40 103.07 107.56 2dum h GLY 127 Ca -0.47 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.02 2dum h GLY 127 CO 0.51 0.75 0.00 0.28 0.00 0.00 0.00 176.54 178.08 2dum n LYS 128 N -4.21 0.00 -1.94 4.80 4.01 -1.26 -1.99 118.16 117.57 2dum n LYS 128 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2dum n LYS 128 Cb 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.14 2dum n LYS 128 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2dum n LEU 131 N 0.00 -2.21 -1.23 -0.35 0.00 -1.26 -4.99 117.00 106.97 2dum n LEU 131 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 56.01 56.73 2dum n LEU 131 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 43.42 42.31 2dum n LEU 131 CO 0.00 -1.70 -0.41 -0.24 0.00 0.00 0.00 177.39 175.04 2dum n SER 132 N 2.02 -6.62 -1.18 1.96 2.88 -1.26 -4.65 113.62 106.77 2dum n SER 132 Ca 0.00 1.42 -0.03 0.00 -1.33 0.00 0.00 58.87 58.94 2dum n SER 132 Cb 0.00 -3.86 0.02 0.00 -0.75 0.00 0.00 64.21 59.62 2dum n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dum n HIS 133 N -2.71 0.32 0.00 0.66 1.44 -1.26 -3.61 115.22 110.06 2dum n HIS 133 Ca -0.02 -0.71 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 2dum n HIS 133 Cb 0.42 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.18 2dum n HIS 133 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2dum n GLU 134 N 0.44 1.45 -1.63 -1.40 1.02 -1.26 -4.98 120.64 114.29 2dum n GLU 134 Ca 0.06 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.76 2dum n GLU 134 Cb 0.61 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 31.25 2dum n GLU 134 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dum n PHE 135 N -1.42 2.25 -0.03 -0.32 7.35 -1.24 -4.84 117.46 119.20 2dum n PHE 135 Ca 0.00 -0.20 -0.14 0.00 -0.76 0.00 0.00 57.45 56.35 2dum n PHE 135 Cb 0.24 -2.74 -0.10 0.00 0.35 0.00 0.00 39.48 37.23 2dum n PHE 135 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2dum h LEU 136 N 12.09 0.19 0.00 -2.13 5.85 -1.92 -3.39 115.31 126.00 2dum h LEU 136 Ca -0.45 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 57.63 2dum h LEU 136 Cb 1.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2dum h LEU 136 CO 0.95 0.79 0.00 0.61 -0.34 0.00 0.00 178.44 180.46 2dum n GLY 137 N 0.63 2.46 0.00 3.75 0.00 -1.26 -3.87 105.19 106.91 2dum n GLY 137 Ca -0.08 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.50 2dum n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dum n SER 138 N 0.00 2.76 -0.19 1.61 3.41 -1.26 -3.10 113.62 116.84 2dum n SER 138 Ca 0.00 -0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 58.51 2dum n SER 138 Cb 0.00 1.35 0.09 0.00 -0.26 0.00 0.00 64.21 65.38 2dum n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dum h THR 139 N 0.00 0.85 0.00 6.66 1.03 -1.97 -2.33 112.91 117.15 2dum h THR 139 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 2dum h THR 139 Cb 0.37 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.80 2dum h THR 139 CO 0.00 0.08 0.00 0.52 -0.01 0.00 0.00 175.52 176.11 2dum n VAL 140 N -4.94 0.00 -0.07 0.00 0.31 -1.25 -1.45 118.33 110.92 2dum n VAL 140 Ca 0.07 1.28 0.02 0.00 -0.01 0.00 0.00 64.34 65.70 2dum n VAL 140 Cb 0.22 -2.26 0.04 0.00 -0.91 0.00 0.00 33.84 30.93 2dum n VAL 140 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2dum n MET 141 N -1.39 -0.02 0.05 5.55 2.81 -1.18 -0.45 117.12 122.49 2dum n MET 141 Ca 0.00 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 56.02 2dum n MET 141 Cb 0.00 -0.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.91 2dum n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dum h ARG 142 N 0.00 0.68 0.59 0.03 3.08 -0.77 -1.74 114.38 116.25 2dum h ARG 142 Ca 0.11 -0.74 -0.03 0.00 0.07 0.00 0.00 59.98 59.39 2dum h ARG 142 Cb 0.20 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2dum h ARG 142 CO -0.21 1.32 -0.32 0.28 -1.07 0.00 0.00 179.97 179.96 2dum h VAL 143 N 0.38 0.34 -0.51 2.04 2.07 -0.18 -2.28 116.25 118.11 2dum h VAL 143 Ca -0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.51 2dum h VAL 143 Cb 1.71 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 2dum h VAL 143 CO 0.21 0.00 -0.07 -0.11 0.02 0.00 0.00 177.57 177.62 2dum n LEU 144 N -5.47 -0.13 0.05 2.57 0.00 0.41 -1.11 117.00 113.33 2dum n LEU 144 Ca -0.13 0.87 -0.02 0.00 0.00 0.00 0.00 56.01 56.73 2dum n LEU 144 Cb 0.36 -0.29 -0.07 0.00 0.00 0.00 0.00 43.42 43.42 2dum n LEU 144 CO 0.36 -0.86 -0.07 -0.09 0.00 0.00 0.00 177.39 176.73 2dum h ARG 145 N 0.00 0.00 0.00 1.96 9.65 -1.12 -3.37 114.38 121.50 2dum h ARG 145 Ca 0.27 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.97 2dum h ARG 145 Cb 0.49 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 2dum h ARG 145 CO -0.50 0.49 -2.17 1.63 2.80 0.00 0.00 179.97 182.22 2dum n LYS 146 N -3.07 0.67 -1.83 0.20 4.01 -0.26 -4.99 118.16 112.89 2dum n LYS 146 Ca -0.06 -0.10 -0.30 0.00 -0.51 0.00 0.00 58.31 57.33 2dum n LYS 146 Cb 0.87 -1.53 0.05 0.00 -0.51 0.00 0.00 35.03 33.90 2dum n LYS 146 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2dum s THR 147 N -3.02 3.68 -0.11 -0.18 -1.32 -0.60 -5.00 115.64 109.09 2dum s THR 147 Ca -0.09 0.54 0.08 0.00 -1.21 0.00 0.00 61.69 61.02 2dum s THR 147 Cb 0.10 -3.50 -0.13 0.00 -1.51 0.00 0.00 72.50 67.46 2dum s THR 147 CO 0.87 -0.71 0.02 0.29 -2.21 0.00 0.00 174.62 172.87 2dum n LYS 148 N -3.02 2.01 -1.20 7.08 4.76 -1.26 -5.03 118.16 121.50 2dum n LYS 148 Ca 0.07 0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.14 2dum n LYS 148 Cb 0.56 -1.27 0.05 0.00 -1.84 0.00 0.00 35.03 32.52 2dum n LYS 148 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dum n LYS 149 N -2.46 0.14 -1.71 1.97 4.01 -1.26 -5.03 118.16 113.82 2dum n LYS 149 Ca -0.18 0.07 -0.30 0.00 -0.51 0.00 0.00 58.31 57.38 2dum n LYS 149 Cb 0.84 -1.41 0.06 0.00 -0.51 0.00 0.00 35.03 34.00 2dum n LYS 149 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2dum s PRO 150 N -2.06 2.74 -0.08 1.97 0.04 -1.26 -4.93 135.00 131.41 2dum s PRO 150 Ca 0.58 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 2dum s PRO 150 Cb -0.36 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2dum s PRO 150 CO 0.65 -1.17 0.17 0.08 0.04 0.00 0.00 177.00 176.77 2dum s VAL 151 N -3.20 -0.15 -0.32 -0.36 1.01 -1.26 -0.99 120.40 115.13 2dum s VAL 151 Ca 0.58 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 2dum s VAL 151 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2dum s VAL 151 CO 0.54 0.10 0.17 -0.22 0.00 0.00 0.00 175.10 175.69 2dum s LEU 152 N 1.67 4.20 -0.34 3.92 0.20 0.18 -4.96 118.68 123.54 2dum s LEU 152 Ca -0.04 -0.50 -0.12 0.00 0.69 0.00 0.00 54.13 54.16 2dum s LEU 152 Cb -0.12 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.61 2dum s LEU 152 CO -0.06 -0.20 0.22 -0.51 -0.29 0.00 0.00 176.35 175.50 2dum s ILE 153 N 1.64 5.01 0.32 6.68 -1.16 -1.26 -0.64 121.20 131.78 2dum s ILE 153 Ca 0.05 -0.40 0.03 0.00 -0.51 0.00 0.00 60.65 59.82 2dum s ILE 153 Cb -0.17 -3.62 -0.03 0.00 0.61 0.00 0.00 42.46 39.26 2dum s ILE 153 CO 0.07 -0.05 0.49 -0.51 -2.81 0.00 0.00 174.94 172.13 2dum s ILE 154 N 1.67 4.89 0.31 2.00 1.10 -0.03 -4.89 121.20 126.25 2dum s ILE 154 Ca 0.05 -0.72 0.00 0.00 -0.51 0.00 0.00 60.65 59.47 2dum s ILE 154 Cb -0.18 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.68 2dum s ILE 154 CO 0.09 -0.40 0.00 1.17 -2.11 0.00 0.00 174.94 173.69 2dum n LYS 155 N -1.67 0.00 0.00 3.50 4.81 -1.26 -0.71 118.16 122.82 2dum n LYS 155 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2dum n LYS 155 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2dum n LYS 155 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dum n GLU 156 N -3.38 0.00 0.00 1.64 4.07 -1.26 -4.85 120.64 116.85 2dum n GLU 156 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2dum n GLU 156 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2dum n GLU 156 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2dum n VAL 157 N -0.00 0.00 0.00 6.31 3.14 -1.26 -5.10 118.33 121.42 2dum n VAL 157 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2dum n VAL 157 Cb 0.00 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 2dum n VAL 157 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2dum n ASP 158 N -1.68 0.00 -0.10 6.55 10.43 -1.26 -5.04 116.55 125.46 2dum n ASP 158 Ca 0.00 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.24 2dum n ASP 158 Cb 0.00 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 42.81 2dum n ASP 158 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2dum n GLU 159 N 0.00 0.68 0.00 -1.24 0.00 -1.26 -5.27 120.64 113.55 2dum n GLU 159 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 57.16 57.28 2dum n GLU 159 Cb 0.00 -1.54 0.39 0.00 0.00 0.00 0.00 31.44 30.29 2dum n GLU 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42