#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 1.33 -0.23 1.12 0.99 -1.26 -4.32 117.46 115.08 2dum n PHE 5 Ca 0.00 -0.52 -0.06 0.00 -0.00 0.00 0.00 57.45 56.87 2dum n PHE 5 Cb 0.00 -0.24 -0.06 0.00 -1.00 0.00 0.00 39.48 38.19 2dum n PHE 5 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2dum n ARG 6 N 0.91 -0.25 -3.98 -1.08 1.74 -1.26 -1.33 116.66 111.41 2dum n ARG 6 Ca 0.22 1.28 -0.18 0.00 -0.77 0.00 0.00 57.85 58.40 2dum n ARG 6 Cb 0.80 -1.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 2dum n ARG 6 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dum s LYS 7 N -4.41 0.44 -0.04 5.56 2.20 -1.26 -0.42 119.74 121.81 2dum s LYS 7 Ca -0.07 0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2dum s LYS 7 Cb 0.06 -0.59 -0.00 0.00 -1.51 0.00 0.00 37.83 35.79 2dum s LYS 7 CO 0.35 -0.13 -0.16 0.08 -0.36 0.00 0.00 175.35 175.12 2dum s VAL 8 N 1.04 1.37 -0.18 4.02 1.01 0.19 0.10 120.40 127.96 2dum s VAL 8 Ca -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2dum s VAL 8 Cb -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2dum s VAL 8 CO -0.01 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.22 2dum s LEU 9 N 0.05 3.11 -0.28 3.92 2.96 -0.37 -0.31 118.68 127.77 2dum s LEU 9 Ca -0.04 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2dum s LEU 9 Cb -0.11 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 44.90 2dum s LEU 9 CO 0.02 0.11 0.06 0.12 -1.32 0.00 0.00 176.35 175.33 2dum s PHE 10 N 0.73 1.94 -0.15 5.38 2.19 -0.53 -0.37 117.98 127.16 2dum s PHE 10 Ca -0.02 -1.74 -0.19 0.00 0.33 0.00 0.00 56.93 55.31 2dum s PHE 10 Cb -0.15 -1.72 -0.04 0.00 -1.31 0.00 0.00 43.02 39.81 2dum s PHE 10 CO 0.02 -0.83 0.52 -2.14 1.83 0.00 0.00 175.22 174.62 2dum s PRO 11 N 1.54 4.28 0.04 10.12 0.02 -1.26 -0.22 135.00 149.53 2dum s PRO 11 Ca 0.06 0.48 0.05 0.00 0.02 0.00 0.00 61.00 61.61 2dum s PRO 11 Cb -0.18 -3.49 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 2dum s PRO 11 CO -0.18 0.01 -0.10 -0.08 -0.33 0.00 0.00 177.00 176.33 2dum s THR 12 N 1.09 3.39 -0.28 0.99 -1.32 0.15 -4.83 115.64 114.83 2dum s THR 12 Ca 0.26 -1.02 0.11 0.00 -1.21 0.00 0.00 61.69 59.83 2dum s THR 12 Cb -0.15 -2.50 0.56 0.00 -1.51 0.00 0.00 72.50 68.89 2dum s THR 12 CO 0.11 0.29 1.54 -0.90 -2.21 0.00 0.00 174.62 173.44 2dum n ASP 13 N 1.27 3.26 -3.44 8.08 5.68 -1.26 -4.39 116.55 125.74 2dum n ASP 13 Ca -0.15 -3.49 -0.18 0.00 -0.50 0.00 0.00 54.79 50.47 2dum n ASP 13 Cb 0.52 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 2dum n ASP 13 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2dum n PHE 14 N -0.86 -1.17 -4.50 2.11 0.99 -1.26 -4.91 117.46 107.86 2dum n PHE 14 Ca 0.34 0.41 -0.25 0.00 -0.00 0.00 0.00 57.45 57.96 2dum n PHE 14 Cb 1.11 -1.70 -0.10 0.00 -1.00 0.00 0.00 39.48 37.78 2dum n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2dum s SER 15 N -2.91 3.55 0.13 4.37 1.04 -1.26 -5.00 113.70 113.61 2dum s SER 15 Ca 0.06 -1.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 2dum s SER 15 Cb -0.04 -0.31 -0.06 0.00 0.10 0.00 0.00 66.02 65.72 2dum s SER 15 CO 0.57 -0.12 1.59 -0.33 0.98 0.00 0.00 173.24 175.93 2dum h GLU 16 N 2.16 -0.48 -0.30 4.02 5.08 -1.76 -0.77 114.58 122.52 2dum h GLU 16 Ca -0.41 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2dum h GLU 16 Cb 1.25 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2dum h GLU 16 CO 0.66 -0.32 -0.05 0.78 -1.00 0.00 0.00 179.01 179.08 2dum h GLY 17 N -0.50 0.25 -0.14 -3.84 0.00 -1.42 0.52 103.07 97.94 2dum h GLY 17 Ca 0.07 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2dum h GLY 17 CO -0.36 -0.10 -0.31 0.00 0.00 0.00 0.00 176.54 175.77 2dum h ALA 18 N 1.29 -0.64 -0.76 3.60 0.00 -1.62 0.93 119.26 122.06 2dum h ALA 18 Ca 0.15 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.21 2dum h ALA 18 Cb 0.21 0.87 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 2dum h ALA 18 CO -0.29 -0.76 -0.07 1.88 0.00 0.00 0.00 179.25 180.01 2dum h TYR 19 N -0.28 -0.19 -0.01 0.00 0.05 -0.57 -2.41 116.97 113.57 2dum h TYR 19 Ca 0.03 0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 2dum h TYR 19 Cb 0.36 0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2dum h TYR 19 CO -0.59 -0.28 -0.44 0.00 -1.05 0.00 0.00 178.16 175.80 2dum h ARG 20 N 0.06 0.03 -0.88 4.88 3.08 0.20 -2.95 114.38 118.79 2dum h ARG 20 Ca 0.40 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.53 2dum h ARG 20 Cb 0.68 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 2dum h ARG 20 CO -0.72 0.47 0.57 0.00 -1.07 0.00 0.00 179.97 179.22 2dum h ALA 21 N 1.53 1.62 -0.13 0.04 0.00 0.13 0.88 119.26 123.33 2dum h ALA 21 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dum h ALA 21 Cb 0.80 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2dum h ALA 21 CO 0.06 0.21 -0.16 -0.39 0.00 0.00 0.00 179.25 178.97 2dum h VAL 22 N 0.90 1.36 -0.76 0.00 -1.51 -1.44 -1.12 116.25 113.69 2dum h VAL 22 Ca 0.40 -1.36 0.14 0.00 -1.23 0.00 0.00 66.70 64.66 2dum h VAL 22 Cb 0.36 1.95 -0.14 0.00 -2.13 0.00 0.00 31.29 31.33 2dum h VAL 22 CO -0.17 0.40 -0.27 -0.33 -1.23 0.00 0.00 177.57 175.97 2dum h GLU 23 N -0.06 -0.05 -0.36 5.19 4.39 -1.46 0.10 114.58 122.33 2dum h GLU 23 Ca 0.02 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2dum h GLU 23 Cb 0.71 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2dum h GLU 23 CO 0.04 -0.03 -0.08 0.28 -1.16 0.00 0.00 179.01 178.05 2dum h VAL 24 N -0.05 0.65 -0.42 3.13 2.07 0.20 -1.99 116.25 119.83 2dum h VAL 24 Ca 0.33 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 2dum h VAL 24 Cb 0.57 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2dum h VAL 24 CO -0.80 0.00 0.18 0.15 0.02 0.00 0.00 177.57 177.13 2dum h PHE 25 N 0.01 0.59 -0.70 1.57 3.57 -0.36 0.29 116.94 121.91 2dum h PHE 25 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2dum h PHE 25 Cb 0.26 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2dum h PHE 25 CO -0.32 0.45 0.46 1.49 -2.23 0.00 0.00 178.31 178.16 2dum h GLU 26 N 0.60 0.93 0.18 1.11 4.57 -0.15 0.66 114.58 122.48 2dum h GLU 26 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2dum h GLU 26 Cb 0.10 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2dum h GLU 26 CO -0.02 0.63 -0.09 0.87 -1.18 0.00 0.00 179.01 179.22 2dum h LYS 27 N 0.95 -0.24 -0.05 1.92 6.56 0.17 -3.37 116.57 122.52 2dum h LYS 27 Ca 0.26 0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.81 2dum h LYS 27 Cb -0.10 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2dum h LYS 27 CO -0.05 0.17 -0.17 0.00 -2.06 0.00 0.00 179.45 177.33 2dum h ARG 28 N -0.85 0.20 -6.52 3.15 3.08 -1.23 -3.45 114.38 108.76 2dum h ARG 28 Ca -0.03 -0.15 -0.52 0.00 0.07 0.00 0.00 59.98 59.35 2dum h ARG 28 Cb 0.52 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2dum h ARG 28 CO 0.04 0.78 0.37 1.21 -1.07 0.00 0.00 179.97 181.30 2dum s ASN 29 N -6.14 7.45 0.00 7.04 2.47 0.23 -4.89 114.94 121.09 2dum s ASN 29 Ca -0.15 1.76 0.00 0.00 0.42 0.00 0.00 52.86 54.89 2dum s ASN 29 Cb 0.02 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2dum s ASN 29 CO 0.73 -0.14 0.34 0.29 -3.72 0.00 0.00 177.10 174.61 2dum n LYS 30 N 3.14 0.65 -1.87 0.43 4.01 -1.26 -4.73 118.16 118.54 2dum n LYS 30 Ca 0.04 -0.34 -0.31 0.00 -0.51 0.00 0.00 58.31 57.18 2dum n LYS 30 Cb 0.50 -0.83 0.01 0.00 -0.51 0.00 0.00 35.03 34.20 2dum n LYS 30 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2dum s MET 31 N -0.19 3.54 -0.30 1.97 -1.94 -1.26 -5.04 119.30 116.08 2dum s MET 31 Ca 0.00 0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 54.61 2dum s MET 31 Cb 0.00 -2.07 -0.02 0.00 2.01 0.00 0.00 34.83 34.74 2dum s MET 31 CO 0.00 -0.62 0.42 -2.00 -0.01 0.00 0.00 175.02 172.81 2dum s GLU 32 N -5.09 3.86 0.18 2.03 2.12 -1.26 -4.76 118.70 115.79 2dum s GLU 32 Ca 0.56 -0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 2dum s GLU 32 Cb -0.11 -3.71 -0.08 0.00 0.26 0.00 0.00 34.13 30.49 2dum s GLU 32 CO 0.53 -0.41 0.90 0.08 -0.54 0.00 0.00 175.26 175.82 2dum s VAL 33 N 2.16 4.27 0.00 3.70 1.01 -1.19 -4.95 120.40 125.41 2dum s VAL 33 Ca 0.16 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.11 2dum s VAL 33 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2dum s VAL 33 CO 0.11 0.46 0.23 0.61 0.00 0.00 0.00 175.10 176.51 2dum n GLY 34 N 1.74 -0.62 3.39 4.51 0.00 -0.44 -2.13 105.19 111.63 2dum n GLY 34 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.46 2.82 -0.22 1.61 2.12 0.43 -2.36 118.70 122.65 2dum s GLU 35 Ca 0.00 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.53 2dum s GLU 35 Cb 0.00 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.96 2dum s GLU 35 CO 0.00 0.42 0.02 0.08 -0.54 0.00 0.00 175.26 175.24 2dum s VAL 36 N -0.21 4.02 -0.33 3.70 1.01 -0.61 0.57 120.40 128.55 2dum s VAL 36 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2dum s VAL 36 Cb -0.13 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2dum s VAL 36 CO 0.03 0.40 0.16 -0.63 0.00 0.00 0.00 175.10 175.07 2dum s ILE 37 N 1.23 4.60 -0.44 2.22 1.01 0.58 -1.97 121.20 128.42 2dum s ILE 37 Ca 0.04 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 2dum s ILE 37 Cb -0.15 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2dum s ILE 37 CO 0.02 -0.00 0.78 -0.22 0.00 0.00 0.00 174.94 175.52 2dum s LEU 38 N 1.60 4.24 0.09 2.97 0.20 0.19 -1.46 118.68 126.51 2dum s LEU 38 Ca 0.04 -0.06 0.06 0.00 0.69 0.00 0.00 54.13 54.86 2dum s LEU 38 Cb -0.18 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.58 2dum s LEU 38 CO 0.06 -0.89 -0.07 -0.22 -0.29 0.00 0.00 176.35 174.94 2dum s LEU 39 N 3.27 3.19 -0.06 -0.68 2.96 0.69 -1.28 118.68 126.76 2dum s LEU 39 Ca 0.30 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2dum s LEU 39 Cb -0.12 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.65 2dum s LEU 39 CO 0.22 0.19 0.01 -2.28 -1.32 0.00 0.00 176.35 173.17 2dum s HIS 40 N -1.23 0.53 -0.41 5.38 5.65 -0.43 0.30 115.29 125.08 2dum s HIS 40 Ca 0.22 -0.08 -0.22 0.00 0.25 0.00 0.00 55.06 55.23 2dum s HIS 40 Cb -0.11 -0.70 0.02 0.00 -1.18 0.00 0.00 32.58 30.61 2dum s HIS 40 CO 0.15 -0.28 0.75 0.08 -0.65 0.00 0.00 174.74 174.79 2dum s VAL 41 N 1.85 4.73 0.11 0.89 1.01 -1.26 -2.21 120.40 125.51 2dum s VAL 41 Ca 0.03 0.55 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 2dum s VAL 41 Cb -0.12 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 2dum s VAL 41 CO -0.04 -0.56 1.77 -0.63 0.00 0.00 0.00 175.10 175.64 2dum s ILE 42 N 3.10 2.69 -0.36 2.22 -1.09 0.41 -4.90 121.20 123.27 2dum s ILE 42 Ca 0.29 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 2dum s ILE 42 Cb -0.13 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2dum s ILE 42 CO 0.19 -0.00 1.31 -0.62 -1.23 0.00 0.00 174.94 174.59 2dum s ASP 43 N 2.60 6.56 0.09 3.58 -1.08 -1.26 -1.77 116.67 125.39 2dum s ASP 43 Ca 0.79 0.97 -0.20 0.00 -0.52 0.00 0.00 52.55 53.58 2dum s ASP 43 Cb -0.44 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.39 2dum s ASP 43 CO 0.35 -1.22 1.62 -0.08 0.52 0.00 0.00 175.17 176.36 2dum h GLU 44 N 9.72 0.31 -0.23 4.34 4.57 -1.02 -1.80 114.58 130.47 2dum h GLU 44 Ca -0.26 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 57.93 2dum h GLU 44 Cb 1.09 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2dum h GLU 44 CO 1.06 0.38 0.23 0.78 -1.18 0.00 0.00 179.01 180.29 2dum h GLY 45 N 0.17 0.00 2.00 1.92 0.00 -1.90 -2.35 103.07 102.91 2dum h GLY 45 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2dum h GLY 45 CO -0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 2dum n THR 46 N -3.93 0.94 -0.79 4.70 -1.04 -0.68 -2.08 114.28 111.41 2dum n THR 46 Ca 0.03 0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.21 2dum n THR 46 Cb 0.37 -1.11 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 2dum n THR 46 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dum n LEU 47 N -1.88 5.66 0.00 -4.42 4.77 -0.88 -3.63 117.00 116.62 2dum n LEU 47 Ca 0.03 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 2dum n LEU 47 Cb 0.19 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2dum n LEU 47 CO 0.16 1.29 0.18 -0.62 -1.33 0.00 0.00 177.39 177.06 2dum n GLU 48 N 1.44 0.00 0.00 3.23 -0.58 -0.88 -3.84 120.64 120.01 2dum n GLU 48 Ca 0.21 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2dum n GLU 48 Cb 0.62 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 2dum n GLU 48 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dum n GLU 49 N -1.49 0.42 -0.81 3.49 1.02 -1.24 0.30 120.64 122.34 2dum n GLU 49 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2dum n GLU 49 Cb 0.00 -1.25 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2dum n GLU 49 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dum n LEU 50 N 0.56 6.11 -3.57 -4.62 7.94 -1.25 -3.58 117.00 118.59 2dum n LEU 50 Ca 0.00 -3.11 -0.30 0.00 -1.11 0.00 0.00 56.01 51.49 2dum n LEU 50 Cb 0.16 -0.99 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 2dum n LEU 50 CO 0.00 1.13 0.27 0.80 -1.11 0.00 0.00 177.39 178.49 2dum n MET 51 N 0.31 2.86 0.00 1.96 1.56 0.89 -5.09 117.12 119.62 2dum n MET 51 Ca 0.28 -4.64 0.00 0.00 -0.27 0.00 0.00 57.70 53.07 2dum n MET 51 Cb 0.65 -2.31 0.00 0.00 2.15 0.00 0.00 33.22 33.71 2dum n MET 51 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2dum n ASP 52 N 1.03 0.00 0.00 6.12 9.92 -1.23 -5.09 116.55 127.29 2dum n ASP 52 Ca 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 2dum n ASP 52 Cb 0.39 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 2dum n ASP 52 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dum n LEU 65 N -0.43 0.00 -5.02 0.64 7.99 -1.26 -5.13 117.00 113.79 2dum n LEU 65 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 2dum n LEU 65 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 2dum n LEU 65 CO 0.00 0.00 0.36 -0.75 -1.51 0.00 0.00 177.39 175.49 2dum s LYS 66 N -2.82 2.25 0.25 3.23 2.36 -1.26 -5.01 119.74 118.75 2dum s LYS 66 Ca 0.00 -1.48 0.04 0.00 -2.55 0.00 0.00 55.97 51.98 2dum s LYS 66 Cb 0.00 -2.60 0.70 0.00 -1.05 0.00 0.00 37.83 34.88 2dum s LYS 66 CO 0.00 -0.90 1.24 -0.40 1.55 0.00 0.00 175.35 176.84 2dum n ASP 67 N -2.31 -0.02 0.02 1.43 5.68 -1.26 -2.91 116.55 117.18 2dum n ASP 67 Ca 0.15 1.34 0.00 0.00 -0.50 0.00 0.00 54.79 55.77 2dum n ASP 67 Cb 0.61 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2dum n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dum n ILE 68 N -5.05 0.00 -0.08 2.12 3.06 -1.26 0.15 119.36 118.29 2dum n ILE 68 Ca 0.21 0.12 -0.06 0.00 -2.50 0.00 0.00 62.75 60.52 2dum n ILE 68 Cb 0.69 -0.30 -0.00 0.00 0.54 0.00 0.00 39.64 40.57 2dum n ILE 68 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 2dum h LYS 69 N 0.00 0.02 0.00 9.51 1.63 -1.94 -3.05 116.57 122.74 2dum h LYS 69 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2dum h LYS 69 Cb 0.24 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2dum h LYS 69 CO 0.00 0.02 0.00 -0.85 -3.45 0.00 0.00 179.45 175.17 2dum n GLU 70 N -5.23 0.08 0.05 1.90 0.28 0.39 0.75 120.64 118.86 2dum n GLU 70 Ca 0.00 0.06 0.06 0.00 -0.16 0.00 0.00 57.16 57.13 2dum n GLU 70 Cb 0.17 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 31.83 2dum n GLU 70 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dum n LYS 71 N -1.45 0.06 -0.07 3.44 5.02 -1.15 -1.72 118.16 122.27 2dum n LYS 71 Ca 0.07 0.43 0.02 0.00 -2.02 0.00 0.00 58.31 56.81 2dum n LYS 71 Cb 0.27 -1.64 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2dum n LYS 71 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dum n LEU 72 N -1.75 0.79 -0.11 -0.35 7.99 0.23 -2.88 117.00 120.92 2dum n LEU 72 Ca 0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 2dum n LEU 72 Cb 0.10 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2dum n LEU 72 CO 0.10 0.19 0.00 2.29 -1.51 0.00 0.00 177.39 178.46 2dum n LYS 73 N -0.09 0.00 0.08 3.23 2.85 -0.70 -2.38 118.16 121.15 2dum n LYS 73 Ca 0.05 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.37 2dum n LYS 73 Cb 0.13 -1.00 -0.03 0.00 -0.65 0.00 0.00 35.03 33.48 2dum n LYS 73 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2dum h GLU 74 N 0.22 0.00 -0.39 -1.58 5.08 -1.82 -2.57 114.58 113.52 2dum h GLU 74 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2dum h GLU 74 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2dum h GLU 74 CO 0.00 0.14 0.16 1.49 -1.00 0.00 0.00 179.01 179.79 2dum h GLU 75 N 0.00 0.32 0.40 2.33 4.57 -1.76 0.82 114.58 121.27 2dum h GLU 75 Ca -0.07 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2dum h GLU 75 Cb 1.26 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2dum h GLU 75 CO 0.02 0.21 -0.19 0.00 -1.18 0.00 0.00 179.01 177.87 2dum h ALA 76 N 1.24 -1.06 -0.78 2.92 0.00 -1.68 -2.87 119.26 117.03 2dum h ALA 76 Ca 0.18 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.14 2dum h ALA 76 Cb 0.13 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 2dum h ALA 76 CO -0.16 -1.02 -0.06 1.03 0.00 0.00 0.00 179.25 179.04 2dum h SER 77 N -0.57 -0.49 0.00 0.00 0.87 -1.51 -2.09 113.55 109.75 2dum h SER 77 Ca -0.05 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2dum h SER 77 Cb 0.41 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2dum h SER 77 CO 0.09 -0.22 0.00 -1.14 -0.53 0.00 0.00 176.83 175.03 2dum n ARG 78 N -5.41 0.00 0.22 2.24 0.63 0.28 -0.69 116.66 113.93 2dum n ARG 78 Ca 0.13 0.71 0.16 0.00 -0.92 0.00 0.00 57.85 57.93 2dum n ARG 78 Cb 0.47 -1.19 0.83 0.00 0.45 0.00 0.00 32.46 33.03 2dum n ARG 78 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2dum h LYS 79 N 0.00 0.00 0.00 -0.14 1.57 -1.20 0.37 116.57 117.17 2dum h LYS 79 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2dum h LYS 79 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2dum h LYS 79 CO 0.00 0.00 -0.90 1.25 -0.57 0.00 0.00 179.45 179.23 2dum h LEU 80 N 0.00 0.00 0.00 2.94 5.85 -0.61 0.19 115.31 123.69 2dum h LEU 80 Ca 0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2dum h LEU 80 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2dum h LEU 80 CO -0.00 0.88 -0.99 -0.61 -0.34 0.00 0.00 178.44 177.38 2dum h GLN 81 N 0.00 0.00 -0.74 1.25 4.15 0.20 -2.93 115.11 117.04 2dum h GLN 81 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.47 2dum h GLN 81 Cb 1.68 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.31 2dum h GLN 81 CO 0.11 0.09 0.43 0.93 -1.93 0.00 0.00 178.83 178.47 2dum h GLU 82 N 0.00 0.76 -0.00 1.69 3.07 -1.04 -2.67 114.58 116.38 2dum h GLU 82 Ca -0.04 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2dum h GLU 82 Cb 1.16 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2dum h GLU 82 CO 0.01 0.50 -0.13 1.63 -1.40 0.00 0.00 179.01 179.62 2dum n LYS 83 N -4.73 0.62 0.18 2.33 4.01 0.66 -4.39 118.16 116.84 2dum n LYS 83 Ca 0.10 -0.23 -0.08 0.00 -0.51 0.00 0.00 58.31 57.59 2dum n LYS 83 Cb 0.18 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.17 2dum n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dum h ALA 84 N 3.55 -0.58 0.00 7.82 0.00 -1.29 -1.51 119.26 127.25 2dum h ALA 84 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2dum h ALA 84 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dum h ALA 84 CO 0.00 -0.54 -0.18 0.93 0.00 0.00 0.00 179.25 179.46 2dum h GLU 85 N -1.04 0.00 0.33 0.00 4.39 -1.78 -1.25 114.58 115.22 2dum h GLU 85 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2dum h GLU 85 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2dum h GLU 85 CO 0.09 0.18 -0.52 1.49 -1.16 0.00 0.00 179.01 179.09 2dum h GLU 86 N 0.00 -0.87 -0.55 2.33 4.22 -1.76 -1.81 114.58 116.14 2dum h GLU 86 Ca -0.00 0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 2dum h GLU 86 Cb 0.37 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2dum h GLU 86 CO 0.02 -0.58 0.26 0.28 -2.18 0.00 0.00 179.01 176.81 2dum h VAL 87 N -0.90 1.20 -0.91 0.32 2.07 -0.59 -0.20 116.25 117.24 2dum h VAL 87 Ca -0.04 -0.59 0.15 0.00 0.82 0.00 0.00 66.70 67.04 2dum h VAL 87 Cb 0.83 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2dum h VAL 87 CO -0.17 0.23 0.58 0.50 0.02 0.00 0.00 177.57 178.74 2dum h LYS 88 N 0.74 0.70 0.20 1.57 3.64 -1.25 0.80 116.57 122.98 2dum h LYS 88 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2dum h LYS 88 Cb 0.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2dum h LYS 88 CO -0.02 0.46 -0.10 0.07 -2.27 0.00 0.00 179.45 177.59 2dum h ARG 89 N 0.72 -0.26 -0.82 1.90 0.11 -0.80 0.06 114.38 115.29 2dum h ARG 89 Ca 0.46 0.02 0.24 0.00 0.10 0.00 0.00 59.98 60.80 2dum h ARG 89 Cb 0.72 0.06 -0.15 0.00 1.11 0.00 0.00 29.97 31.71 2dum h ARG 89 CO -0.22 -0.17 0.09 0.00 0.10 0.00 0.00 179.97 179.76 2dum n ALA 90 N -2.34 0.49 -0.05 0.08 0.00 -0.13 0.15 120.51 118.70 2dum n ALA 90 Ca -0.03 0.87 0.05 0.00 0.00 0.00 0.00 53.44 54.33 2dum n ALA 90 Cb 0.11 -0.67 0.25 0.00 0.00 0.00 0.00 19.45 19.14 2dum n ALA 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dum n PHE 91 N -5.11 1.17 -2.01 0.00 0.99 0.27 -4.00 117.46 108.77 2dum n PHE 91 Ca 0.21 -0.43 -0.11 0.00 -0.00 0.00 0.00 57.45 57.12 2dum n PHE 91 Cb 0.70 -0.28 -0.02 0.00 -1.00 0.00 0.00 39.48 38.88 2dum n PHE 91 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2dum n ARG 92 N 0.53 -1.90 -3.44 -1.08 1.74 0.39 -3.82 116.66 109.09 2dum n ARG 92 Ca 0.18 0.58 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 2dum n ARG 92 Cb 0.75 -5.02 -0.06 0.00 -1.02 0.00 0.00 32.46 27.12 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 -2.31 3.63 -0.03 7.54 0.00 -0.00 -3.17 121.76 127.42 2dum s ALA 93 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 2dum s ALA 93 Cb 0.00 -2.44 -0.18 0.00 0.00 0.00 0.00 23.12 20.51 2dum s ALA 93 CO 0.00 0.49 1.07 0.87 0.00 0.00 0.00 175.76 178.19 2dum h LYS 94 N 3.70 -0.18 -6.31 0.00 1.79 -1.28 -3.44 116.57 110.85 2dum h LYS 94 Ca -0.49 0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.38 2dum h LYS 94 Cb 1.19 0.04 -0.26 0.00 -1.58 0.00 0.00 32.23 31.63 2dum h LYS 94 CO 0.66 0.25 -0.85 -0.80 -1.08 0.00 0.00 179.45 177.63 2dum s ASN 95 N -5.47 2.71 0.09 0.86 0.01 -0.99 -5.06 114.94 107.08 2dum s ASN 95 Ca -0.14 -0.56 0.06 0.00 -0.71 0.00 0.00 52.86 51.51 2dum s ASN 95 Cb 0.01 -0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.41 2dum s ASN 95 CO 0.56 0.18 -0.15 0.54 -1.51 0.00 0.00 177.10 176.72 2dum s VAL 96 N -0.83 1.27 0.02 1.60 0.11 -1.26 -1.57 120.40 119.74 2dum s VAL 96 Ca 0.09 -1.46 0.02 0.00 -2.93 0.00 0.00 61.98 57.69 2dum s VAL 96 Cb -0.09 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.46 2dum s VAL 96 CO 0.02 -0.26 -0.06 -0.60 -3.33 0.00 0.00 175.10 170.87 2dum s ARG 97 N -2.04 0.46 0.18 1.54 3.52 -0.83 -4.98 118.95 116.80 2dum s ARG 97 Ca 0.02 -0.51 0.09 0.00 -0.13 0.00 0.00 55.73 55.20 2dum s ARG 97 Cb -0.08 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 2dum s ARG 97 CO 0.03 0.07 -0.08 0.95 -0.81 0.00 0.00 175.30 175.46 2dum s THR 98 N -0.86 3.27 -0.01 4.11 -4.23 -1.26 0.55 115.64 117.21 2dum s THR 98 Ca -0.05 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2dum s THR 98 Cb -0.07 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.15 2dum s THR 98 CO 0.00 -0.12 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.31 2dum s ILE 99 N -1.73 0.22 -0.02 2.99 1.01 -0.40 -4.90 121.20 118.36 2dum s ILE 99 Ca 0.25 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.91 2dum s ILE 99 Cb -0.09 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2dum s ILE 99 CO 0.16 0.10 -0.16 -0.63 0.00 0.00 0.00 174.94 174.41 2dum s ILE 100 N 0.39 2.95 0.10 2.92 1.09 -1.26 -1.32 121.20 126.08 2dum s ILE 100 Ca -0.04 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.62 2dum s ILE 100 Cb -0.07 -2.18 -0.03 0.00 -1.06 0.00 0.00 42.46 39.13 2dum s ILE 100 CO -0.01 0.52 0.06 -0.13 -0.10 0.00 0.00 174.94 175.28 2dum s ARG 101 N -0.93 0.82 -0.26 2.79 1.81 -0.94 -4.99 118.95 117.25 2dum s ARG 101 Ca 0.12 -1.27 -0.06 0.00 -1.72 0.00 0.00 55.73 52.81 2dum s ARG 101 Cb -0.11 0.25 -0.00 0.00 -0.45 0.00 0.00 34.95 34.64 2dum s ARG 101 CO 0.02 -0.22 0.03 -0.06 -0.68 0.00 0.00 175.30 174.39 2dum s PHE 102 N -3.97 3.06 -2.43 -0.53 0.40 -1.26 0.16 117.98 113.42 2dum s PHE 102 Ca 0.15 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 2dum s PHE 102 Cb 0.07 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.41 2dum s PHE 102 CO -0.04 -0.53 0.00 0.41 0.70 0.00 0.00 175.22 175.76 2dum n GLY 103 N 4.84 -1.18 3.58 4.36 0.00 -0.73 -4.89 105.19 111.18 2dum n GLY 103 Ca -0.16 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2dum n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dum s ILE 104 N -3.00 3.68 0.21 -0.61 1.10 -1.26 -0.32 121.20 120.99 2dum s ILE 104 Ca 0.00 0.62 -0.19 0.00 -0.51 0.00 0.00 60.65 60.57 2dum s ILE 104 Cb 0.00 -4.12 0.18 0.00 0.15 0.00 0.00 42.46 38.67 2dum s ILE 104 CO 0.00 -0.85 1.57 -0.65 -2.11 0.00 0.00 174.94 172.90 2dum h PRO 105 N 11.98 -0.08 0.00 3.50 0.11 -1.90 0.40 132.00 146.01 2dum h PRO 105 Ca -0.28 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dum h PRO 105 Cb 1.12 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dum h PRO 105 CO 1.13 -0.05 -0.00 0.11 -0.21 0.00 0.00 178.00 178.97 2dum h TRP 106 N -0.08 0.00 0.07 0.65 5.08 -1.92 -0.59 115.95 119.15 2dum h TRP 106 Ca 0.29 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.97 2dum h TRP 106 Cb 0.57 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.71 2dum h TRP 106 CO -0.76 0.00 -1.54 0.22 -1.28 0.00 0.00 178.44 175.08 2dum h ASP 107 N 0.00 0.22 -0.01 0.11 -0.00 -0.77 -2.49 116.42 113.49 2dum h ASP 107 Ca -0.00 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.03 56.69 2dum h ASP 107 Cb 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.33 39.26 2dum h ASP 107 CO 0.00 1.29 -0.00 -0.33 -0.00 0.00 0.00 179.24 180.20 2dum h GLU 108 N 0.04 0.01 -0.24 0.28 4.39 0.36 -2.22 114.58 117.20 2dum h GLU 108 Ca -0.24 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.51 2dum h GLU 108 Cb 1.98 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.55 2dum h GLU 108 CO 0.13 0.32 -0.42 0.82 -1.16 0.00 0.00 179.01 178.69 2dum h ILE 109 N -0.30 0.13 -0.11 3.13 2.04 -1.18 0.19 117.51 121.42 2dum h ILE 109 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2dum h ILE 109 Cb 0.31 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2dum h ILE 109 CO 0.00 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.89 2dum h VAL 110 N -0.42 0.35 0.02 1.67 2.07 -1.42 0.22 116.25 118.74 2dum h VAL 110 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2dum h VAL 110 Cb 0.61 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2dum h VAL 110 CO -0.47 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.22 2dum h LYS 111 N 0.00 -0.03 0.00 1.57 1.57 -0.01 -3.08 116.57 116.58 2dum h LYS 111 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2dum h LYS 111 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2dum h LYS 111 CO -0.00 0.59 -0.39 -0.24 -0.57 0.00 0.00 179.45 178.84 2dum h VAL 112 N -0.97 0.73 0.13 0.50 3.04 -0.98 -1.48 116.25 117.22 2dum h VAL 112 Ca -0.00 -1.82 0.02 0.00 -1.01 0.00 0.00 66.70 63.88 2dum h VAL 112 Cb 0.63 2.20 -0.03 0.00 -2.01 0.00 0.00 31.29 32.08 2dum h VAL 112 CO 0.00 0.38 -0.26 0.00 -1.01 0.00 0.00 177.57 176.69 2dum h ALA 113 N 1.61 -0.45 -0.68 3.17 0.00 -1.06 0.11 119.26 121.96 2dum h ALA 113 Ca -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2dum h ALA 113 Cb 1.17 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 2dum h ALA 113 CO 0.05 -0.80 -0.15 1.49 0.00 0.00 0.00 179.25 179.84 2dum h GLU 114 N -0.48 0.01 0.31 0.00 4.57 -1.40 -2.24 114.58 115.35 2dum h GLU 114 Ca 0.03 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2dum h GLU 114 Cb 0.50 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2dum h GLU 114 CO -0.14 0.01 -0.15 0.93 -1.18 0.00 0.00 179.01 178.48 2dum h GLU 115 N 0.01 -0.40 0.00 1.92 5.08 -1.01 -3.30 114.58 116.88 2dum h GLU 115 Ca 0.33 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2dum h GLU 115 Cb 0.52 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2dum h GLU 115 CO -0.68 -0.27 0.00 0.39 -1.00 0.00 0.00 179.01 177.45 2dum n GLU 116 N -3.27 0.02 -3.28 2.33 -0.58 0.37 -4.83 120.64 111.41 2dum n GLU 116 Ca -0.05 0.33 -0.15 0.00 -0.42 0.00 0.00 57.16 56.87 2dum n GLU 116 Cb 0.16 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.61 2dum n GLU 116 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2dum n ASN 117 N -1.46 -3.71 -4.83 1.62 4.05 -0.89 -4.97 115.26 105.07 2dum n ASN 117 Ca 0.02 -0.62 -0.32 0.00 0.45 0.00 0.00 54.58 54.11 2dum n ASN 117 Cb 0.09 -4.92 -0.03 0.00 1.23 0.00 0.00 39.78 36.15 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 -3.35 4.35 -0.00 3.44 -7.23 -0.95 -4.92 120.40 111.74 2dum s VAL 118 Ca 0.17 1.17 0.06 0.00 -1.81 0.00 0.00 61.98 61.57 2dum s VAL 118 Cb -0.02 -3.64 -0.24 0.00 0.56 0.00 0.00 36.38 33.04 2dum s VAL 118 CO 0.70 -0.60 0.82 0.77 -0.31 0.00 0.00 175.10 176.47 2dum h SER 119 N 0.95 0.14 -2.91 4.85 4.64 0.38 -3.46 113.55 118.13 2dum h SER 119 Ca -0.47 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 60.48 2dum h SER 119 Cb 1.19 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 2dum h SER 119 CO 0.61 1.19 -0.41 -0.22 -0.87 0.00 0.00 176.83 177.12 2dum s LEU 120 N -6.53 -0.26 -0.24 5.97 2.96 -1.20 -4.35 118.68 115.03 2dum s LEU 120 Ca -0.06 0.79 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 2dum s LEU 120 Cb 0.08 1.08 -0.02 0.00 0.50 0.00 0.00 46.19 47.83 2dum s LEU 120 CO 0.83 -0.21 0.69 -0.51 -1.32 0.00 0.00 176.35 175.82 2dum s ILE 121 N 2.06 4.95 -0.13 6.68 -1.16 0.09 -1.23 121.20 132.46 2dum s ILE 121 Ca -0.04 1.27 0.02 0.00 -0.51 0.00 0.00 60.65 61.38 2dum s ILE 121 Cb -0.11 -3.99 0.01 0.00 0.61 0.00 0.00 42.46 38.99 2dum s ILE 121 CO -0.11 0.01 -0.18 -0.51 -2.81 0.00 0.00 174.94 171.34 2dum s ILE 122 N 2.49 1.77 0.03 2.00 2.07 0.50 -1.91 121.20 128.15 2dum s ILE 122 Ca 0.29 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 2dum s ILE 122 Cb -0.16 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 2dum s ILE 122 CO 0.09 0.49 -0.05 -1.48 -1.91 0.00 0.00 174.94 172.08 2dum s LEU 123 N 0.96 2.29 0.36 8.50 0.05 -0.44 -4.25 118.68 126.14 2dum s LEU 123 Ca -0.06 -0.59 -0.27 0.00 0.05 0.00 0.00 54.13 53.26 2dum s LEU 123 Cb -0.15 0.02 -0.09 0.00 -2.05 0.00 0.00 46.19 43.91 2dum s LEU 123 CO -0.03 -0.31 1.21 -2.16 -0.55 0.00 0.00 176.35 174.51 2dum s PRO 124 N -1.87 4.25 0.00 1.48 0.04 -1.26 -1.17 135.00 136.47 2dum s PRO 124 Ca -0.10 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2dum s PRO 124 Cb -0.07 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2dum s PRO 124 CO -0.02 -0.19 0.43 0.45 0.04 0.00 0.00 177.00 177.72 2dum n SER 125 N 0.52 0.00 -0.01 6.66 2.88 0.14 -4.10 113.62 119.72 2dum n SER 125 Ca 0.02 0.43 -0.22 0.00 -1.33 0.00 0.00 58.87 57.77 2dum n SER 125 Cb 0.44 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.77 2dum n SER 125 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dum h ARG 126 N 0.00 0.23 0.00 -1.46 3.08 -1.84 -1.15 114.38 113.24 2dum h ARG 126 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2dum h ARG 126 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2dum h ARG 126 CO 0.00 1.19 0.00 0.41 -1.07 0.00 0.00 179.97 180.50 2dum n GLY 127 N 1.82 0.02 0.00 0.04 0.00 -1.26 -3.88 105.19 101.93 2dum n GLY 127 Ca -0.29 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2dum n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dum n LYS 128 N 0.00 0.00 -4.99 1.61 5.02 -1.26 -1.43 118.16 117.12 2dum n LYS 128 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2dum n LYS 128 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 2dum n LYS 128 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dum s LEU 129 N -0.41 1.94 0.00 -0.35 2.01 -1.26 -4.16 118.68 116.44 2dum s LEU 129 Ca 0.00 -0.44 -0.24 0.00 0.01 0.00 0.00 54.13 53.45 2dum s LEU 129 Cb 0.00 -1.17 -0.30 0.00 0.01 0.00 0.00 46.19 44.73 2dum s LEU 129 CO 0.00 0.14 1.37 -1.20 1.01 0.00 0.00 176.35 177.67 2dum n SER 130 N 3.44 0.61 0.00 2.29 7.64 -1.26 -4.81 113.62 121.53 2dum n SER 130 Ca -0.20 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2dum n SER 130 Cb 0.52 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2dum n SER 130 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dum n LEU 131 N 7.88 0.00 -4.68 -3.43 7.99 -1.26 -5.09 117.00 118.41 2dum n LEU 131 Ca 0.37 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.96 2dum n LEU 131 Cb 0.38 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 2dum n LEU 131 CO 1.01 0.00 0.54 -0.55 -1.51 0.00 0.00 177.39 176.88 2dum s SER 132 N 0.02 6.96 0.00 -1.43 0.15 -1.26 -4.93 113.70 113.21 2dum s SER 132 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2dum s SER 132 Cb 0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2dum s SER 132 CO 0.00 -0.31 0.93 0.00 1.20 0.00 0.00 173.24 175.07 2dum n HIS 133 N 4.78 0.00 0.73 3.44 1.44 -1.26 -0.82 115.22 123.53 2dum n HIS 133 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 2dum n HIS 133 Cb 0.50 -0.44 0.18 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.43 0.18 -2.59 -1.40 1.02 -1.26 -4.82 120.64 110.34 2dum n GLU 134 Ca 0.00 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 2dum n GLU 134 Cb 0.01 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 2dum n GLU 134 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2dum s PHE 135 N -3.11 3.61 -0.17 -0.32 5.36 -0.00 -5.03 117.98 118.32 2dum s PHE 135 Ca 0.08 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 2dum s PHE 135 Cb 0.15 -3.23 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 2dum s PHE 135 CO 0.72 -0.47 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.33 2dum s LEU 136 N 0.59 2.31 1.01 6.12 2.01 -1.26 -4.20 118.68 125.27 2dum s LEU 136 Ca 0.53 -0.56 -0.20 0.00 0.01 0.00 0.00 54.13 53.90 2dum s LEU 136 Cb -0.26 -1.53 -0.11 0.00 0.01 0.00 0.00 46.19 44.30 2dum s LEU 136 CO 0.30 0.03 -0.82 0.61 1.01 0.00 0.00 176.35 177.48 2dum n GLY 137 N 4.42 -3.50 0.16 -3.19 0.00 -0.43 -4.75 105.19 97.89 2dum n GLY 137 Ca -0.20 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2dum n GLY 137 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dum h SER 138 N -1.20 0.76 1.65 1.61 0.87 -1.90 -3.10 113.55 112.23 2dum h SER 138 Ca -0.43 -0.81 -0.06 0.00 -1.23 0.00 0.00 61.79 59.26 2dum h SER 138 Cb 1.34 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2dum h SER 138 CO 0.26 1.48 -0.28 0.71 -0.53 0.00 0.00 176.83 178.46 2dum h THR 139 N 0.13 0.50 0.02 2.23 1.35 -1.98 -2.26 112.91 112.90 2dum h THR 139 Ca -0.15 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2dum h THR 139 Cb 1.70 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2dum h THR 139 CO 0.19 0.28 -0.03 0.58 -0.25 0.00 0.00 175.52 176.29 2dum h VAL 140 N 0.00 0.00 -1.29 6.82 2.07 -1.92 0.72 116.25 122.65 2dum h VAL 140 Ca -0.00 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.94 2dum h VAL 140 Cb 1.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 2dum h VAL 140 CO 0.04 0.00 0.85 0.23 0.02 0.00 0.00 177.57 178.71 2dum n MET 141 N -2.49 -0.02 -0.06 1.57 2.81 -1.17 -0.73 117.12 117.03 2dum n MET 141 Ca -0.01 1.04 -0.21 0.00 -1.81 0.00 0.00 57.70 56.72 2dum n MET 141 Cb 0.02 -2.11 -0.13 0.00 -0.71 0.00 0.00 33.22 30.30 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 0.09 -0.79 0.03 3.08 -0.59 -3.26 114.38 112.94 2dum h ARG 142 Ca 0.76 -0.15 0.17 0.00 0.07 0.00 0.00 59.98 60.83 2dum h ARG 142 Cb 2.59 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 32.59 2dum h ARG 142 CO -0.31 1.07 0.26 0.28 -1.07 0.00 0.00 179.97 180.20 2dum h VAL 143 N -0.72 0.54 -0.85 2.04 2.07 -0.42 0.81 116.25 119.72 2dum h VAL 143 Ca -0.29 -0.12 0.21 0.00 0.82 0.00 0.00 66.70 67.33 2dum h VAL 143 Cb 1.44 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 2dum h VAL 143 CO -0.08 0.06 0.26 -0.07 0.02 0.00 0.00 177.57 177.77 2dum h LEU 144 N 0.35 0.09 0.00 2.57 3.38 -1.05 -1.52 115.31 119.12 2dum h LEU 144 Ca 0.45 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.60 2dum h LEU 144 Cb 0.78 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2dum h LEU 144 CO -0.49 -0.09 -1.10 0.54 0.09 0.00 0.00 178.44 177.39 2dum n ARG 145 N -5.16 0.37 0.01 1.13 1.74 -0.23 -4.21 116.66 110.30 2dum n ARG 145 Ca 0.20 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.37 2dum n ARG 145 Cb 0.63 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 30.32 2dum n ARG 145 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2dum n LYS 146 N -2.10 0.65 -3.45 5.56 4.76 0.11 -4.97 118.16 118.72 2dum n LYS 146 Ca 0.01 -0.08 -0.29 0.00 -2.87 0.00 0.00 58.31 55.08 2dum n LYS 146 Cb 0.47 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 2dum n LYS 146 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2dum s THR 147 N -3.36 5.07 -1.74 -0.18 -1.32 -0.60 -4.99 115.64 108.52 2dum s THR 147 Ca -0.06 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.64 2dum s THR 147 Cb 0.12 -3.72 0.04 0.00 -1.51 0.00 0.00 72.50 67.43 2dum s THR 147 CO 0.87 -0.24 1.22 0.29 -2.21 0.00 0.00 174.62 174.55 2dum n LYS 148 N -0.74 0.85 -3.50 7.08 4.76 -1.26 -4.99 118.16 120.36 2dum n LYS 148 Ca -0.02 -0.64 -0.24 0.00 -2.87 0.00 0.00 58.31 54.54 2dum n LYS 148 Cb 0.54 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2dum n LYS 148 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dum s LYS 149 N -2.59 3.48 0.27 1.97 -0.14 -1.26 -5.09 119.74 116.38 2dum s LYS 149 Ca 0.18 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 2dum s LYS 149 Cb 0.18 -2.71 -0.10 0.00 -1.68 0.00 0.00 37.83 33.52 2dum s LYS 149 CO 0.61 0.21 1.28 -2.14 -0.76 0.00 0.00 175.35 174.55 2dum s PRO 150 N -4.18 4.41 0.02 -1.68 0.02 -1.26 -4.87 135.00 127.46 2dum s PRO 150 Ca 0.39 2.10 0.07 0.00 0.02 0.00 0.00 61.00 63.57 2dum s PRO 150 Cb -0.10 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 2dum s PRO 150 CO 0.34 -0.16 -0.19 0.08 -0.33 0.00 0.00 177.00 176.75 2dum s VAL 151 N -0.64 2.73 -0.21 3.83 1.01 -1.26 -0.73 120.40 125.14 2dum s VAL 151 Ca 0.51 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2dum s VAL 151 Cb -0.37 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2dum s VAL 151 CO 0.45 0.42 -0.03 -0.22 0.00 0.00 0.00 175.10 175.72 2dum s LEU 152 N -1.19 1.97 -0.02 3.92 2.96 -0.80 -4.98 118.68 120.54 2dum s LEU 152 Ca 0.13 -0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 52.89 2dum s LEU 152 Cb -0.10 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2dum s LEU 152 CO 0.03 -0.24 0.53 -0.63 -1.32 0.00 0.00 176.35 174.72 2dum s ILE 153 N 1.58 4.97 -0.10 6.68 -1.09 -1.26 -1.33 121.20 130.66 2dum s ILE 153 Ca -0.03 1.11 0.02 0.00 -2.23 0.00 0.00 60.65 59.52 2dum s ILE 153 Cb -0.18 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2dum s ILE 153 CO -0.07 0.44 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.29 2dum s ILE 154 N -0.27 1.50 0.00 2.92 1.01 -0.31 -4.94 121.20 121.11 2dum s ILE 154 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2dum s ILE 154 Cb -0.17 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2dum s ILE 154 CO 0.15 0.44 0.00 0.29 0.00 0.00 0.00 174.94 175.82 2dum n LYS 155 N 4.00 0.00 -4.48 2.79 5.02 -1.26 -0.68 118.16 123.54 2dum n LYS 155 Ca -0.20 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.86 2dum n LYS 155 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 2dum n LYS 155 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dum s GLU 156 N 1.31 1.70 1.00 1.97 -6.30 -1.26 -4.80 118.70 112.30 2dum s GLU 156 Ca 0.00 -1.92 -0.11 0.00 -2.50 0.00 0.00 54.97 50.44 2dum s GLU 156 Cb 0.00 -1.14 0.19 0.00 0.00 0.00 0.00 34.13 33.18 2dum s GLU 156 CO 0.00 -0.08 1.09 0.54 0.02 0.00 0.00 175.26 176.83 2dum s VAL 157 N -3.07 2.19 0.99 3.70 0.11 -1.26 -4.97 120.40 118.09 2dum s VAL 157 Ca 0.34 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.29 2dum s VAL 157 Cb 0.07 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 2dum s VAL 157 CO 0.15 -0.08 -0.15 -0.67 -3.33 0.00 0.00 175.10 171.02 2dum n ASP 158 N -4.41 -3.37 0.00 3.54 2.03 -1.26 -4.91 116.55 108.17 2dum n ASP 158 Ca 0.08 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2dum n ASP 158 Cb 0.53 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2dum n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2dum n GLU 159 N -0.20 0.00 -1.67 -0.67 4.07 -1.26 -4.52 120.64 116.39 2dum n GLU 159 Ca 0.03 0.82 -0.45 0.00 -0.06 0.00 0.00 57.16 57.49 2dum n GLU 159 Cb 0.57 -1.28 -0.04 0.00 -0.06 0.00 0.00 31.44 30.63 2dum n GLU 159 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2dum n ASN 160 N -2.48 3.75 0.00 4.31 2.04 -1.26 -5.27 115.26 116.36 2dum n ASN 160 Ca 0.00 0.91 0.00 0.00 -0.44 0.00 0.00 54.58 55.05 2dum n ASN 160 Cb 0.00 -1.44 0.00 0.00 -2.53 0.00 0.00 39.78 35.81 2dum n ASN 160 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98