#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dud s MET 2 N 0.00 2.45 0.01 2.12 1.00 -1.26 -5.11 119.30 118.51 1dud s MET 2 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 55.69 54.89 1dud s MET 2 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 34.83 32.57 1dud s MET 2 CO 0.00 0.53 -0.03 0.21 0.00 0.00 0.00 175.02 175.73 1dud s LYS 3 N -0.51 0.27 -0.07 2.03 2.36 -1.26 -5.13 119.74 117.43 1dud s LYS 3 Ca 0.07 -0.35 -0.21 0.00 -2.55 0.00 0.00 55.97 52.92 1dud s LYS 3 Cb -0.11 -0.10 -0.04 0.00 -1.05 0.00 0.00 37.83 36.53 1dud s LYS 3 CO 0.01 0.02 0.60 0.21 1.55 0.00 0.00 175.35 177.74 1dud s LYS 4 N -0.74 4.38 -0.09 4.03 2.47 -1.26 -5.06 119.74 123.47 1dud s LYS 4 Ca -0.06 0.71 0.03 0.00 -1.56 0.00 0.00 55.97 55.09 1dud s LYS 4 Cb -0.05 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1dud s LYS 4 CO -0.00 0.16 -0.20 0.42 0.16 0.00 0.00 175.35 175.89 1dud s ILE 5 N 0.52 1.74 0.25 5.43 -1.09 -1.26 -5.05 121.20 121.74 1dud s ILE 5 Ca 0.32 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 1dud s ILE 5 Cb -0.17 -1.52 -0.09 0.00 -1.58 0.00 0.00 42.46 39.10 1dud s ILE 5 CO 0.15 0.49 1.05 -1.81 -1.23 0.00 0.00 174.94 173.59 1dud s ASP 6 N 0.46 7.39 0.00 3.58 1.01 -1.25 -4.96 116.67 122.90 1dud s ASP 6 Ca -0.17 2.13 0.01 0.00 0.71 0.00 0.00 52.55 55.23 1dud s ASP 6 Cb -0.17 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.14 1dud s ASP 6 CO 0.07 -0.06 -0.04 0.54 0.21 0.00 0.00 175.17 175.89 1dud s VAL 7 N -0.99 0.28 -0.05 -1.27 0.11 -1.26 -1.90 120.40 115.31 1dud s VAL 7 Ca 0.44 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 1dud s VAL 7 Cb -0.30 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1dud s VAL 7 CO 0.37 0.03 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.22 1dud s LYS 8 N -0.21 2.15 -0.11 1.54 2.20 -0.38 -5.01 119.74 119.90 1dud s LYS 8 Ca 0.00 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.74 1dud s LYS 8 Cb -0.02 -1.83 -0.05 0.00 -1.51 0.00 0.00 37.83 34.43 1dud s LYS 8 CO -0.00 0.29 0.32 0.42 -0.36 0.00 0.00 175.35 176.02 1dud s ILE 9 N -0.02 5.25 -0.26 5.43 1.01 -1.26 -2.14 121.20 129.22 1dud s ILE 9 Ca -0.05 0.61 0.16 0.00 0.00 0.00 0.00 60.65 61.37 1dud s ILE 9 Cb -0.13 -3.64 -0.22 0.00 0.01 0.00 0.00 42.46 38.48 1dud s ILE 9 CO 0.03 0.45 0.45 0.18 0.00 0.00 0.00 174.94 176.06 1dud n LEU 10 N 2.99 0.25 -4.13 2.97 4.77 0.95 -4.96 117.00 119.83 1dud n LEU 10 Ca -0.13 -0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 1dud n LEU 10 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1dud n LEU 10 CO 0.39 0.06 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.41 1dud s ASP 11 N -3.35 1.79 0.52 -1.43 -1.08 -1.13 -5.00 116.67 106.98 1dud s ASP 11 Ca -0.02 -0.30 0.24 0.00 -0.52 0.00 0.00 52.55 51.95 1dud s ASP 11 Cb 0.11 -0.19 1.43 0.00 -1.46 0.00 0.00 42.92 42.81 1dud s ASP 11 CO 0.65 0.17 2.11 -0.65 0.52 0.00 0.00 175.17 177.96 1dud h PRO 12 N 5.63 0.00 0.00 4.34 0.11 -1.94 -2.41 132.00 137.74 1dud h PRO 12 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1dud h PRO 12 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1dud h PRO 12 CO 0.48 0.10 -0.20 0.00 -0.21 0.00 0.00 178.00 178.17 1dud h ARG 13 N 0.00 0.00 -6.59 1.05 3.08 -1.97 -3.40 114.38 106.55 1dud h ARG 13 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.52 1dud h ARG 13 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1dud h ARG 13 CO 0.01 0.20 0.53 0.08 -1.07 0.00 0.00 179.97 179.72 1dud s VAL 14 N -3.85 3.86 0.00 2.04 1.01 -0.91 -0.28 120.40 122.27 1dud s VAL 14 Ca -0.01 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1dud s VAL 14 Cb 0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1dud s VAL 14 CO 0.62 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1dud n GLY 15 N 2.53 2.98 0.15 4.51 0.00 0.22 -4.78 105.19 110.80 1dud n GLY 15 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1dud n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dud n LYS 16 N -1.12 0.24 0.10 1.61 3.00 -0.94 -4.69 118.16 116.37 1dud n LYS 16 Ca 0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 58.31 58.37 1dud n LYS 16 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 35.03 34.10 1dud n LYS 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1dud h GLU 17 N -0.46 0.00 -3.06 1.64 4.81 -0.92 -3.46 114.58 113.13 1dud h GLU 17 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1dud h GLU 17 Cb 0.46 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.68 1dud h GLU 17 CO 0.00 0.79 -0.09 -0.59 -0.73 0.00 0.00 179.01 178.39 1dud s PHE 18 N -2.91 -0.27 0.69 0.92 -0.12 -1.19 -5.07 117.98 110.03 1dud s PHE 18 Ca 0.02 0.20 -0.11 0.00 -0.05 0.00 0.00 56.93 56.99 1dud s PHE 18 Cb 0.10 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1dud s PHE 18 CO 0.79 -0.59 1.07 -1.25 -0.05 0.00 0.00 175.22 175.19 1dud s PRO 19 N -2.65 2.90 0.46 1.99 0.04 -1.26 0.73 135.00 137.22 1dud s PRO 19 Ca -0.04 0.43 -0.23 0.00 0.04 0.00 0.00 61.00 61.20 1dud s PRO 19 Cb -0.00 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1dud s PRO 19 CO -0.04 -0.98 1.15 -0.51 0.04 0.00 0.00 177.00 176.67 1dud s LEU 20 N -5.31 4.00 0.32 -3.56 1.43 -1.26 -4.51 118.68 109.79 1dud s LEU 20 Ca 0.58 2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 55.66 1dud s LEU 20 Cb -0.11 -4.26 -0.10 0.00 0.03 0.00 0.00 46.19 41.75 1dud s LEU 20 CO 0.51 -0.90 1.31 -2.16 0.23 0.00 0.00 176.35 175.34 1dud s PRO 21 N -2.72 4.36 0.06 1.29 0.04 -1.26 -5.03 135.00 131.74 1dud s PRO 21 Ca 0.64 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1dud s PRO 21 Cb -0.28 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1dud s PRO 21 CO 0.33 -0.19 -0.05 -0.08 0.04 0.00 0.00 177.00 177.06 1dud s THR 22 N -1.01 0.38 -0.14 1.26 -1.32 -1.26 -5.02 115.64 108.54 1dud s THR 22 Ca 0.50 -1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1dud s THR 22 Cb -0.39 -1.18 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 1dud s THR 22 CO 0.51 -0.77 1.27 -0.31 -2.21 0.00 0.00 174.62 173.11 1dud s TYR 23 N -2.97 2.89 0.15 9.09 2.02 -1.26 -4.46 117.35 122.80 1dud s TYR 23 Ca 0.01 1.02 -0.19 0.00 -0.37 0.00 0.00 57.07 57.54 1dud s TYR 23 Cb 0.01 -3.51 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1dud s TYR 23 CO -0.05 -1.72 1.68 0.00 -1.57 0.00 0.00 175.55 173.89 1dud h ALA 24 N 8.09 0.15 -2.20 3.71 0.00 -1.95 -3.44 119.26 123.62 1dud h ALA 24 Ca -0.29 0.11 -0.43 0.00 0.00 0.00 0.00 54.91 54.31 1dud h ALA 24 Cb 1.12 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1dud h ALA 24 CO 0.95 -0.49 -0.72 0.95 0.00 0.00 0.00 179.25 179.94 1dud s THR 25 N -6.20 1.59 0.66 0.00 -4.23 -1.26 -5.01 115.64 101.20 1dud s THR 25 Ca -0.14 -2.17 0.43 0.00 -1.18 0.00 0.00 61.69 58.63 1dud s THR 25 Cb 0.12 -2.09 0.43 0.00 1.34 0.00 0.00 72.50 72.31 1dud s THR 25 CO 0.69 -0.56 2.34 0.77 -0.54 0.00 0.00 174.62 177.32 1dud h SER 26 N 2.55 0.00 -0.48 3.99 4.64 -2.04 -1.26 113.55 120.95 1dud h SER 26 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 1dud h SER 26 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 1dud h SER 26 CO 0.63 0.00 0.09 0.61 -0.87 0.00 0.00 176.83 177.29 1dud n GLY 27 N -1.11 4.03 3.80 -0.77 0.00 -1.26 -4.99 105.19 104.88 1dud n GLY 27 Ca -0.03 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1dud n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dud s SER 28 N -1.66 7.14 -0.12 1.61 0.01 -0.48 -4.99 113.70 115.20 1dud s SER 28 Ca 0.48 1.35 0.19 0.00 1.31 0.00 0.00 55.95 59.28 1dud s SER 28 Cb 0.40 -2.40 -0.27 0.00 0.21 0.00 0.00 66.02 63.96 1dud s SER 28 CO 0.09 0.23 0.28 0.00 0.41 0.00 0.00 173.24 174.26 1dud n ALA 29 N 1.83 1.96 -2.43 1.44 0.00 -1.26 -4.96 120.51 117.08 1dud n ALA 29 Ca -0.09 -1.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.10 1dud n ALA 29 Cb 0.50 -0.44 -0.12 0.00 0.00 0.00 0.00 19.45 19.39 1dud n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dud s GLY 30 N -5.11 1.61 -0.13 0.00 0.00 -1.26 -4.52 107.32 97.90 1dud s GLY 30 Ca -0.09 -1.56 -0.07 0.00 0.00 0.00 0.00 44.72 43.00 1dud s GLY 30 CO 0.85 -1.59 0.12 1.08 0.00 0.00 0.00 173.10 173.57 1dud s LEU 31 N -2.53 4.24 0.24 0.66 1.43 -0.20 -4.72 118.68 117.80 1dud s LEU 31 Ca 0.18 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 1dud s LEU 31 Cb -0.08 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.02 1dud s LEU 31 CO 0.08 0.35 0.75 -1.81 0.23 0.00 0.00 176.35 175.96 1dud s ASP 32 N -0.69 7.06 0.13 2.29 1.01 -1.26 -1.12 116.67 124.09 1dud s ASP 32 Ca 0.13 1.45 0.06 0.00 0.71 0.00 0.00 52.55 54.90 1dud s ASP 32 Cb -0.12 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1dud s ASP 32 CO 0.03 -0.00 -0.02 -0.76 0.21 0.00 0.00 175.17 174.62 1dud s LEU 33 N -2.09 3.32 0.12 1.23 1.43 -0.12 -4.68 118.68 117.89 1dud s LEU 33 Ca 0.45 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1dud s LEU 33 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1dud s LEU 33 CO 0.21 0.14 -0.26 -0.13 0.23 0.00 0.00 176.35 176.54 1dud s ARG 34 N -2.54 1.41 -0.26 1.70 0.52 -1.26 -1.72 118.95 116.80 1dud s ARG 34 Ca 0.25 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 53.88 1dud s ARG 34 Cb -0.11 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1dud s ARG 34 CO 0.17 0.44 1.53 0.00 0.02 0.00 0.00 175.30 177.46 1dud s ALA 35 N -1.04 3.27 -1.17 2.13 0.00 -0.21 -4.57 121.76 120.17 1dud s ALA 35 Ca 0.13 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1dud s ALA 35 Cb -0.10 -3.84 0.21 0.00 0.00 0.00 0.00 23.12 19.39 1dud s ALA 35 CO 0.05 -1.96 1.30 0.00 0.00 0.00 0.00 175.76 175.16 1dud s LEU 37 N 0.48 3.40 -0.23 0.00 1.43 -1.26 -4.53 118.68 117.97 1dud s LEU 37 Ca 0.38 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1dud s LEU 37 Cb -0.06 -1.92 -0.18 0.00 0.03 0.00 0.00 46.19 44.06 1dud s LEU 37 CO -0.03 -0.29 -0.10 0.59 0.23 0.00 0.00 176.35 176.75 1dud n ASN 38 N -1.22 2.00 -4.24 2.29 3.02 -1.26 -4.79 115.26 111.07 1dud n ASN 38 Ca -0.03 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 1dud n ASN 38 Cb 0.60 -0.60 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 1dud n ASN 38 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1dud s ASP 39 N -6.80 1.56 0.44 6.41 1.01 -1.26 -4.95 116.67 113.08 1dud s ASP 39 Ca -0.33 -1.07 -0.24 0.00 0.71 0.00 0.00 52.55 51.63 1dud s ASP 39 Cb 0.09 0.04 -0.08 0.00 1.01 0.00 0.00 42.92 43.98 1dud s ASP 39 CO 0.62 -0.43 1.20 0.00 0.21 0.00 0.00 175.17 176.77 1dud s ALA 40 N -3.46 3.05 -0.28 5.23 0.00 -1.26 -4.69 121.76 120.36 1dud s ALA 40 Ca 0.18 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1dud s ALA 40 Cb 0.04 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1dud s ALA 40 CO 0.01 -0.69 0.00 0.08 0.00 0.00 0.00 175.76 175.17 1dud s VAL 41 N -1.45 3.30 -0.13 0.00 1.01 -0.66 -4.93 120.40 117.54 1dud s VAL 41 Ca 0.61 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1dud s VAL 41 Cb -0.31 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1dud s VAL 41 CO 0.38 0.09 0.84 -0.70 0.00 0.00 0.00 175.10 175.72 1dud s GLU 42 N 1.38 4.35 -0.33 2.72 2.12 -1.26 -0.25 118.70 127.43 1dud s GLU 42 Ca 0.00 1.07 -0.09 0.00 0.36 0.00 0.00 54.97 56.31 1dud s GLU 42 Cb -0.17 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.69 1dud s GLU 42 CO -0.01 -0.24 0.14 -0.51 -0.54 0.00 0.00 175.26 174.09 1dud s LEU 43 N 1.83 4.26 0.59 2.70 1.43 0.15 -4.92 118.68 124.71 1dud s LEU 43 Ca 0.40 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1dud s LEU 43 Cb -0.17 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1dud s LEU 43 CO 0.15 -0.27 1.02 0.00 0.23 0.00 0.00 176.35 177.48 1dud s ALA 44 N 1.53 2.99 0.12 4.21 0.00 -1.26 -0.03 121.76 129.31 1dud s ALA 44 Ca 0.02 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.74 1dud s ALA 44 Cb -0.18 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 1dud s ALA 44 CO 0.05 -0.64 1.78 -2.30 0.00 0.00 0.00 175.76 174.65 1dud n PRO 45 N -2.35 2.61 0.00 0.00 -0.02 -1.26 -1.46 135.00 132.51 1dud n PRO 45 Ca 0.07 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1dud n PRO 45 Cb 0.54 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1dud n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dud n GLY 46 N 4.07 2.74 3.80 -1.23 0.00 0.07 -5.04 105.19 109.61 1dud n GLY 46 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1dud n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dud s ASP 47 N -1.16 6.43 0.15 1.61 1.01 -0.53 -4.72 116.67 119.45 1dud s ASP 47 Ca 0.00 1.87 0.06 0.00 0.71 0.00 0.00 52.55 55.19 1dud s ASP 47 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1dud s ASP 47 CO 0.00 -0.72 -0.13 0.42 0.21 0.00 0.00 175.17 174.95 1dud s THR 48 N -2.05 1.35 0.08 -1.27 -4.23 -1.26 -0.91 115.64 107.36 1dud s THR 48 Ca 0.66 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.11 1dud s THR 48 Cb -0.15 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1dud s THR 48 CO 0.20 -0.57 0.30 0.28 -0.54 0.00 0.00 174.62 174.29 1dud s THR 49 N -2.71 0.10 -0.18 3.99 -1.32 -0.29 -4.99 115.64 110.23 1dud s THR 49 Ca 0.14 -0.81 -0.03 0.00 -1.21 0.00 0.00 61.69 59.78 1dud s THR 49 Cb -0.02 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1dud s THR 49 CO 0.03 -0.44 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.73 1dud s LEU 50 N -2.57 3.05 -0.15 9.08 2.96 -1.26 -1.16 118.68 128.63 1dud s LEU 50 Ca 0.01 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1dud s LEU 50 Cb 0.02 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1dud s LEU 50 CO -0.09 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.21 1dud s VAL 51 N 0.88 3.02 0.58 1.68 1.01 -0.59 -4.93 120.40 122.05 1dud s VAL 51 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1dud s VAL 51 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1dud s VAL 51 CO 0.01 0.51 1.05 -2.84 0.00 0.00 0.00 175.10 173.83 1dud s PRO 52 N 0.59 3.41 -0.01 2.72 0.02 -1.26 -0.67 135.00 139.81 1dud s PRO 52 Ca -0.07 1.16 0.14 0.00 0.02 0.00 0.00 61.00 62.25 1dud s PRO 52 Cb -0.15 -2.05 -0.17 0.00 0.02 0.00 0.00 34.50 32.15 1dud s PRO 52 CO 0.03 -0.73 0.49 0.25 -0.33 0.00 0.00 177.00 176.71 1dud n THR 53 N -1.97 0.00 -1.04 0.99 -2.24 -0.97 -0.59 114.28 108.45 1dud n THR 53 Ca 0.08 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1dud n THR 53 Cb 0.53 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 1dud n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dud n GLY 54 N 1.44 0.49 3.32 3.38 0.00 -1.26 -4.49 105.19 108.06 1dud n GLY 54 Ca 0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1dud n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dud s LEU 55 N -0.32 2.46 -0.06 0.99 1.43 -1.26 -0.03 118.68 121.89 1dud s LEU 55 Ca 0.00 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 1dud s LEU 55 Cb 0.00 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.49 1dud s LEU 55 CO 0.00 -0.08 0.15 0.00 0.23 0.00 0.00 176.35 176.65 1dud s ALA 56 N -2.29 -0.34 0.38 4.21 0.00 -0.91 -1.17 121.76 121.65 1dud s ALA 56 Ca 0.16 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1dud s ALA 56 Cb -0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 1dud s ALA 56 CO 0.06 -0.11 -0.03 0.96 0.00 0.00 0.00 175.76 176.65 1dud s ILE 57 N 0.54 2.05 -0.33 0.00 -4.36 -1.26 -1.25 121.20 116.59 1dud s ILE 57 Ca -0.04 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1dud s ILE 57 Cb -0.05 -2.86 0.13 0.00 1.25 0.00 0.00 42.46 40.93 1dud s ILE 57 CO -0.03 -0.08 0.21 -2.28 0.24 0.00 0.00 174.94 173.01 1dud s HIS 58 N -2.70 0.36 0.29 1.37 2.46 -0.80 -4.27 115.29 112.01 1dud s HIS 58 Ca 0.34 -1.16 -0.01 0.00 0.47 0.00 0.00 55.06 54.70 1dud s HIS 58 Cb 0.07 -0.80 0.46 0.00 -0.13 0.00 0.00 32.58 32.18 1dud s HIS 58 CO 0.17 -0.86 1.94 0.82 -2.47 0.00 0.00 174.74 174.34 1dud h ILE 59 N 5.57 1.15 0.00 0.89 2.04 -1.81 -3.34 117.51 122.00 1dud h ILE 59 Ca -0.04 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1dud h ILE 59 Cb 1.00 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1dud h ILE 59 CO 0.32 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.67 1dud n ALA 60 N -2.40 0.00 -2.70 1.87 0.00 -0.60 -4.89 120.51 111.80 1dud n ALA 60 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1dud n ALA 60 Cb 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 1dud n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dud s ASP 61 N -1.09 6.31 0.17 0.00 2.15 -1.26 -4.95 116.67 118.00 1dud s ASP 61 Ca 0.00 0.35 0.24 0.00 0.43 0.00 0.00 52.55 53.57 1dud s ASP 61 Cb 0.00 -2.16 0.91 0.00 -0.30 0.00 0.00 42.92 41.37 1dud s ASP 61 CO 0.00 0.06 1.72 -0.81 -0.17 0.00 0.00 175.17 175.98 1dud n PRO 62 N 3.97 0.16 -0.22 4.34 -0.04 -1.26 -2.42 135.00 139.54 1dud n PRO 62 Ca -0.13 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1dud n PRO 62 Cb 0.52 -1.75 0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1dud n PRO 62 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dud n SER 63 N -2.04 2.15 -3.75 3.54 7.64 -1.26 -4.79 113.62 115.11 1dud n SER 63 Ca 0.04 -2.23 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 1dud n SER 63 Cb 0.30 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 1dud n SER 63 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dud s LEU 64 N -0.66 0.66 0.13 -3.43 2.96 -1.01 -2.30 118.68 115.02 1dud s LEU 64 Ca 0.13 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1dud s LEU 64 Cb 0.10 1.24 -0.04 0.00 0.50 0.00 0.00 46.19 47.99 1dud s LEU 64 CO 0.04 -0.17 0.05 0.00 -1.32 0.00 0.00 176.35 174.95 1dud s ALA 65 N -0.01 0.87 0.11 5.97 0.00 -0.28 -4.14 121.76 124.28 1dud s ALA 65 Ca -0.02 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 50.58 1dud s ALA 65 Cb -0.03 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1dud s ALA 65 CO 0.01 -0.48 -0.24 0.00 0.00 0.00 0.00 175.76 175.06 1dud s ALA 66 N -4.03 2.46 0.04 0.00 0.00 -0.88 -0.91 121.76 118.44 1dud s ALA 66 Ca 0.23 -1.39 0.08 0.00 0.00 0.00 0.00 51.96 50.89 1dud s ALA 66 Cb 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1dud s ALA 66 CO 0.01 0.56 -0.24 -1.64 0.00 0.00 0.00 175.76 174.45 1dud s MET 67 N -1.91 1.64 -0.18 0.00 -1.94 -0.64 -1.69 119.30 114.58 1dud s MET 67 Ca 0.15 -1.00 -0.05 0.00 -1.71 0.00 0.00 55.69 53.07 1dud s MET 67 Cb -0.10 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.95 1dud s MET 67 CO 0.06 0.46 0.01 -1.64 -0.01 0.00 0.00 175.02 173.90 1dud s MET 68 N -1.12 3.76 0.23 2.03 -1.94 0.03 -2.03 119.30 120.26 1dud s MET 68 Ca 0.10 -0.46 0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1dud s MET 68 Cb -0.09 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 1dud s MET 68 CO 0.02 0.17 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.47 1dud s LEU 69 N 0.59 2.51 0.89 -0.03 1.43 -0.06 -1.57 118.68 122.45 1dud s LEU 69 Ca 0.00 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1dud s LEU 69 Cb -0.14 -1.10 0.13 0.00 0.03 0.00 0.00 46.19 45.12 1dud s LEU 69 CO 0.02 0.06 1.13 -2.84 0.23 0.00 0.00 176.35 174.95 1dud s PRO 70 N -3.12 1.20 0.02 1.29 0.02 -1.26 -1.67 135.00 131.47 1dud s PRO 70 Ca 0.25 1.44 -0.21 0.00 0.02 0.00 0.00 61.00 62.50 1dud s PRO 70 Cb -0.06 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 1dud s PRO 70 CO 0.12 -2.47 0.63 1.03 -0.33 0.00 0.00 177.00 175.98 1dud s ARG 71 N -4.70 4.34 0.17 5.54 0.52 -1.26 -4.54 118.95 119.03 1dud s ARG 71 Ca 0.66 0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 56.54 1dud s ARG 71 Cb -0.22 -3.33 0.13 0.00 0.52 0.00 0.00 34.95 32.05 1dud s ARG 71 CO 0.58 0.40 1.75 0.77 0.02 0.00 0.00 175.30 178.81 1dud h SER 72 N 5.45 0.16 0.00 0.23 0.02 -1.95 0.27 113.55 117.73 1dud h SER 72 Ca -0.46 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.41 1dud h SER 72 Cb 1.20 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1dud h SER 72 CO 0.69 0.13 -0.44 1.23 -1.14 0.00 0.00 176.83 177.29 1dud h GLY 73 N 0.33 0.58 1.34 -3.77 0.00 -1.97 0.22 103.07 99.80 1dud h GLY 73 Ca 0.21 -0.60 -0.27 0.00 0.00 0.00 0.00 47.33 46.67 1dud h GLY 73 CO -0.21 0.54 -1.11 -2.00 0.00 0.00 0.00 176.54 173.76 1dud h LEU 74 N 0.43 0.76 0.59 3.11 5.85 -1.81 0.41 115.31 124.66 1dud h LEU 74 Ca 0.03 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 1dud h LEU 74 Cb 0.94 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1dud h LEU 74 CO 0.08 1.47 -0.28 1.23 -0.34 0.00 0.00 178.44 180.60 1dud h GLY 75 N 0.69 -0.83 0.81 3.75 0.00 -0.22 0.88 103.07 108.15 1dud h GLY 75 Ca -0.14 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1dud h GLY 75 CO 0.21 -0.30 -0.19 0.84 0.00 0.00 0.00 176.54 177.10 1dud h HIS 76 N -1.10 -0.49 0.02 5.60 -0.00 -0.66 -0.51 115.15 118.00 1dud h HIS 76 Ca -0.08 -0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.07 1dud h HIS 76 Cb 0.61 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 1dud h HIS 76 CO 0.02 -0.20 -0.94 0.87 -0.00 0.00 0.00 177.93 177.67 1dud h LYS 77 N -0.73 0.13 -0.00 5.26 1.57 -0.30 -3.37 116.57 119.13 1dud h LYS 77 Ca -0.05 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1dud h LYS 77 Cb 0.51 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1dud h LYS 77 CO 0.09 0.97 -0.10 0.72 -0.57 0.00 0.00 179.45 180.56 1dud n HIS 78 N -3.56 0.00 -1.85 -1.35 8.25 0.18 -5.01 115.22 111.87 1dud n HIS 78 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1dud n HIS 78 Cb 0.86 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 1dud n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dud n GLY 79 N 0.70 0.33 3.14 -1.41 0.00 -0.20 -4.64 105.19 103.11 1dud n GLY 79 Ca 0.02 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1dud n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dud s ILE 80 N -2.13 2.80 0.00 -0.61 -1.09 -0.87 -0.91 121.20 118.39 1dud s ILE 80 Ca 0.00 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 1dud s ILE 80 Cb 0.00 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.23 1dud s ILE 80 CO 0.00 -0.14 0.00 1.33 -1.23 0.00 0.00 174.94 174.90 1dud n VAL 81 N 4.57 0.00 -3.87 2.92 0.24 -0.91 -3.12 118.33 118.16 1dud n VAL 81 Ca -0.12 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.82 1dud n VAL 81 Cb 0.43 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 1dud n VAL 81 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dud s LEU 82 N 0.00 4.26 0.43 1.34 1.43 -1.26 -0.67 118.68 124.22 1dud s LEU 82 Ca 0.00 0.36 0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1dud s LEU 82 Cb 0.00 -2.06 0.95 0.00 0.03 0.00 0.00 46.19 45.11 1dud s LEU 82 CO 0.00 0.33 1.98 1.23 0.23 0.00 0.00 176.35 180.12 1dud h GLY 83 N 5.58 0.10 -3.13 -3.19 0.00 -1.50 -1.89 103.07 99.04 1dud h GLY 83 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1dud h GLY 83 CO 0.64 0.05 0.00 1.16 0.00 0.00 0.00 176.54 178.39 1dud n ASN 84 N -4.33 4.94 0.00 0.19 6.94 -1.26 -4.98 115.26 116.76 1dud n ASN 84 Ca -0.02 -2.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 1dud n ASN 84 Cb 0.23 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 1dud n ASN 84 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dud n LEU 85 N 0.74 0.00 -3.73 -4.53 4.77 -0.71 -4.54 117.00 109.00 1dud n LEU 85 Ca 0.24 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1dud n LEU 85 Cb 1.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.93 1dud n LEU 85 CO 0.27 0.00 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.35 1dud s VAL 86 N 0.00 -0.10 -0.08 4.08 1.01 -1.26 -4.52 120.40 119.53 1dud s VAL 86 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1dud s VAL 86 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1dud s VAL 86 CO 0.00 0.11 0.21 -0.83 0.00 0.00 0.00 175.10 174.58 1dud s GLY 87 N 1.48 2.23 -0.08 4.51 0.00 -0.61 -4.92 107.32 109.94 1dud s GLY 87 Ca -0.05 -0.55 0.05 0.00 0.00 0.00 0.00 44.72 44.16 1dud s GLY 87 CO -0.05 -0.28 -0.23 -2.27 0.00 0.00 0.00 173.10 170.27 1dud s LEU 88 N -1.13 2.04 -0.22 0.66 2.96 -1.26 -0.79 118.68 120.94 1dud s LEU 88 Ca 0.18 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1dud s LEU 88 Cb -0.13 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.26 1dud s LEU 88 CO 0.07 0.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.54 1dud s ILE 89 N 0.15 2.51 0.66 6.68 -1.09 -0.68 -5.00 121.20 124.43 1dud s ILE 89 Ca -0.12 -1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 57.17 1dud s ILE 89 Cb -0.16 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1dud s ILE 89 CO 0.06 0.33 1.05 -1.81 -1.23 0.00 0.00 174.94 173.34 1dud s ASP 90 N 1.30 5.68 0.54 3.58 1.01 -1.26 -2.07 116.67 125.44 1dud s ASP 90 Ca 0.01 1.57 0.31 0.00 0.71 0.00 0.00 52.55 55.15 1dud s ASP 90 Cb -0.15 -2.49 1.52 0.00 1.01 0.00 0.00 42.92 42.80 1dud s ASP 90 CO -0.08 -1.24 2.07 0.77 0.21 0.00 0.00 175.17 176.90 1dud h SER 91 N -0.51 0.00 -0.51 0.27 4.64 -1.85 -1.87 113.55 113.73 1dud h SER 91 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1dud h SER 91 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1dud h SER 91 CO 0.58 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1dud n ASP 92 N -3.39 3.39 -4.72 4.97 5.68 -1.26 -1.56 116.55 119.65 1dud n ASP 92 Ca -0.01 -1.98 -0.42 0.00 -0.50 0.00 0.00 54.79 51.89 1dud n ASP 92 Cb 0.25 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 39.86 1dud n ASP 92 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1dud s TYR 93 N -1.04 3.61 -0.02 2.11 5.04 -0.71 -4.92 117.35 121.42 1dud s TYR 93 Ca 0.35 1.58 0.03 0.00 -2.44 0.00 0.00 57.07 56.60 1dud s TYR 93 Cb 0.19 -3.23 0.05 0.00 0.35 0.00 0.00 41.96 39.31 1dud s TYR 93 CO 0.25 -0.49 0.90 1.04 -1.34 0.00 0.00 175.55 175.91 1dud n GLN 94 N 3.23 0.48 -1.19 4.97 6.02 -1.26 -4.49 117.38 125.14 1dud n GLN 94 Ca 0.05 -1.19 -0.08 0.00 -0.01 0.00 0.00 57.00 55.76 1dud n GLN 94 Cb 0.48 -0.72 0.05 0.00 1.02 0.00 0.00 30.24 31.07 1dud n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dud n GLY 95 N -0.29 0.39 3.77 1.08 0.00 -1.26 -4.78 105.19 104.09 1dud n GLY 95 Ca 0.03 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1dud n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dud s GLN 96 N -3.45 3.97 -0.11 1.61 0.74 -1.26 -4.43 119.66 116.73 1dud s GLN 96 Ca 0.24 2.23 -0.30 0.00 0.05 0.00 0.00 55.36 57.58 1dud s GLN 96 Cb -0.01 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 1dud s GLN 96 CO 0.16 -0.52 1.14 -0.51 -0.55 0.00 0.00 175.29 175.01 1dud s LEU 97 N -2.39 4.23 0.03 3.68 1.43 -0.31 -4.97 118.68 120.37 1dud s LEU 97 Ca 0.56 1.66 0.09 0.00 -1.03 0.00 0.00 54.13 55.41 1dud s LEU 97 Cb -0.40 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1dud s LEU 97 CO 0.51 -0.59 -0.26 -0.04 0.23 0.00 0.00 176.35 176.21 1dud s MET 98 N 2.53 1.83 -0.20 1.70 -1.94 -1.26 -2.30 119.30 119.66 1dud s MET 98 Ca 0.52 -1.03 -0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1dud s MET 98 Cb -0.21 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.71 1dud s MET 98 CO 0.17 0.51 -0.14 0.42 -0.01 0.00 0.00 175.02 175.97 1dud s ILE 99 N -0.74 2.48 -0.19 2.53 1.01 0.16 -4.95 121.20 121.50 1dud s ILE 99 Ca 0.11 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1dud s ILE 99 Cb -0.10 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1dud s ILE 99 CO 0.01 0.44 1.15 -0.55 0.00 0.00 0.00 174.94 175.99 1dud s SER 100 N 1.33 7.03 -0.15 3.58 0.15 -1.26 -1.55 113.70 122.83 1dud s SER 100 Ca 0.04 1.54 -0.03 0.00 0.70 0.00 0.00 55.95 58.20 1dud s SER 100 Cb -0.14 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1dud s SER 100 CO -0.09 -0.71 -0.06 -0.69 1.20 0.00 0.00 173.24 172.89 1dud s VAL 101 N 3.29 3.67 -0.02 4.45 1.01 -0.31 -1.48 120.40 131.00 1dud s VAL 101 Ca 0.50 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1dud s VAL 101 Cb -0.19 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1dud s VAL 101 CO 0.11 0.50 -0.25 0.86 0.00 0.00 0.00 175.10 176.32 1dud s TRP 102 N 0.37 2.28 -0.57 5.22 -0.00 0.16 -1.14 118.94 125.25 1dud s TRP 102 Ca -0.06 -0.46 -0.16 0.00 -0.00 0.00 0.00 56.10 55.42 1dud s TRP 102 Cb -0.15 -1.47 0.14 0.00 -0.00 0.00 0.00 33.47 31.99 1dud s TRP 102 CO 0.04 -0.06 0.54 1.21 -0.00 0.00 0.00 176.95 178.68 1dud s ASN 103 N -0.55 6.25 0.00 5.86 3.84 -0.09 -2.15 114.94 128.11 1dud s ASN 103 Ca 0.08 -1.85 0.24 0.00 0.21 0.00 0.00 52.86 51.54 1dud s ASN 103 Cb -0.10 -2.22 0.91 0.00 -0.55 0.00 0.00 41.25 39.29 1dud s ASN 103 CO -0.01 -0.85 1.65 -2.11 -2.79 0.00 0.00 177.10 172.99 1dud n ARG 104 N 5.21 1.67 -0.51 0.43 1.85 -0.09 -0.75 116.66 124.47 1dud n ARG 104 Ca -0.11 -0.99 0.00 0.00 -1.00 0.00 0.00 57.85 55.76 1dud n ARG 104 Cb 0.41 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 1dud n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dud n GLY 105 N 1.14 2.44 0.79 2.89 0.00 -1.22 -4.95 105.19 106.27 1dud n GLY 105 Ca 0.17 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 44.18 1dud n GLY 105 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dud n GLN 106 N -0.40 2.77 -4.33 1.61 6.02 -1.26 -4.46 117.38 117.33 1dud n GLN 106 Ca 0.00 -2.15 -0.21 0.00 -0.01 0.00 0.00 57.00 54.63 1dud n GLN 106 Cb 0.00 -1.33 -0.13 0.00 1.02 0.00 0.00 30.24 29.80 1dud n GLN 106 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dud s ASP 107 N -1.01 1.90 0.66 1.08 1.01 -1.26 -4.84 116.67 114.21 1dud s ASP 107 Ca 0.28 -0.55 -0.17 0.00 0.71 0.00 0.00 52.55 52.83 1dud s ASP 107 Cb 0.15 -0.11 -0.00 0.00 1.01 0.00 0.00 42.92 43.97 1dud s ASP 107 CO 0.19 0.02 1.19 -0.44 0.21 0.00 0.00 175.17 176.35 1dud s SER 108 N -1.43 4.78 -0.08 0.27 0.01 -1.26 -4.43 113.70 111.56 1dud s SER 108 Ca 0.02 2.31 -0.07 0.00 1.31 0.00 0.00 55.95 59.52 1dud s SER 108 Cb -0.09 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1dud s SER 108 CO 0.02 -1.86 0.21 0.12 0.41 0.00 0.00 173.24 172.14 1dud s PHE 109 N -1.87 -0.24 -0.21 2.43 2.19 0.95 -4.94 117.98 116.28 1dud s PHE 109 Ca 0.74 0.60 -0.06 0.00 0.33 0.00 0.00 56.93 58.54 1dud s PHE 109 Cb -0.28 0.07 -0.03 0.00 -1.31 0.00 0.00 43.02 41.47 1dud s PHE 109 CO 0.39 -0.13 0.04 0.99 1.83 0.00 0.00 175.22 178.34 1dud s THR 110 N 0.34 4.26 -0.11 0.12 2.01 -1.26 0.29 115.64 121.29 1dud s THR 110 Ca -0.02 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 1dud s THR 110 Cb -0.03 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1dud s THR 110 CO -0.01 0.41 0.76 -0.63 -0.69 0.00 0.00 174.62 174.45 1dud s ILE 111 N 1.04 4.97 0.18 1.82 1.01 0.66 -4.89 121.20 125.99 1dud s ILE 111 Ca 0.03 1.53 -0.12 0.00 0.00 0.00 0.00 60.65 62.09 1dud s ILE 111 Cb -0.14 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 1dud s ILE 111 CO 0.02 0.15 0.54 -1.10 0.00 0.00 0.00 174.94 174.56 1dud s GLN 112 N 1.40 3.89 0.12 2.79 -1.52 -1.26 -1.65 119.66 123.42 1dud s GLN 112 Ca 0.38 0.38 -0.33 0.00 -1.95 0.00 0.00 55.36 53.83 1dud s GLN 112 Cb -0.17 -2.79 -0.13 0.00 -0.22 0.00 0.00 33.01 29.69 1dud s GLN 112 CO 0.16 0.40 1.68 -2.30 -0.25 0.00 0.00 175.29 174.98 1dud n PRO 113 N 0.35 2.29 -0.40 2.91 -0.02 -1.26 -0.91 135.00 137.96 1dud n PRO 113 Ca -0.03 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1dud n PRO 113 Cb 0.52 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1dud n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dud n GLY 114 N 3.74 1.50 3.76 -1.23 0.00 0.52 -4.95 105.19 108.53 1dud n GLY 114 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1dud n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dud s GLU 115 N -0.26 3.66 -0.16 1.61 2.12 -0.09 -4.44 118.70 121.15 1dud s GLU 115 Ca 0.00 2.16 -0.29 0.00 0.36 0.00 0.00 54.97 57.20 1dud s GLU 115 Cb 0.00 -2.55 -0.00 0.00 0.26 0.00 0.00 34.13 31.84 1dud s GLU 115 CO 0.00 -0.74 1.02 1.03 -0.54 0.00 0.00 175.26 176.02 1dud s ARG 116 N -2.53 4.35 0.00 4.30 0.52 -1.26 -1.05 118.95 123.28 1dud s ARG 116 Ca 0.63 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 1dud s ARG 116 Cb -0.38 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1dud s ARG 116 CO 0.47 -0.45 0.13 0.44 0.02 0.00 0.00 175.30 175.91 1dud n ILE 117 N 4.89 0.00 -3.88 1.52 -5.35 -0.70 -4.98 119.36 110.87 1dud n ILE 117 Ca 0.10 -0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.11 1dud n ILE 117 Cb 0.48 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 1dud n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dud s ALA 118 N -0.51 -0.92 0.05 -1.28 0.00 -1.24 -4.33 121.76 113.53 1dud s ALA 118 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1dud s ALA 118 Cb 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1dud s ALA 118 CO 0.00 -0.99 -0.05 1.14 0.00 0.00 0.00 175.76 175.85 1dud s GLN 119 N -3.57 0.56 -0.03 0.00 -2.07 -0.67 -0.94 119.66 112.94 1dud s GLN 119 Ca 0.14 -0.97 0.06 0.00 -1.82 0.00 0.00 55.36 52.77 1dud s GLN 119 Cb -0.05 -0.04 -0.01 0.00 -1.09 0.00 0.00 33.01 31.82 1dud s GLN 119 CO 0.09 -0.03 -0.20 1.41 -1.32 0.00 0.00 175.29 175.23 1dud s MET 120 N -2.66 1.82 0.20 9.60 1.75 -0.27 -0.88 119.30 128.85 1dud s MET 120 Ca -0.02 -0.72 0.09 0.00 -1.25 0.00 0.00 55.69 53.79 1dud s MET 120 Cb -0.02 -1.66 -0.04 0.00 2.84 0.00 0.00 34.83 35.94 1dud s MET 120 CO -0.04 0.37 -0.17 0.96 -0.65 0.00 0.00 175.02 175.49 1dud s ILE 121 N -0.28 1.88 -0.17 10.11 -4.36 -0.86 -1.04 121.20 126.48 1dud s ILE 121 Ca 0.03 -2.10 -0.02 0.00 -0.26 0.00 0.00 60.65 58.30 1dud s ILE 121 Cb -0.10 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 1dud s ILE 121 CO 0.01 -0.44 -0.09 -0.36 0.24 0.00 0.00 174.94 174.30 1dud s PHE 122 N -2.47 2.90 0.08 1.37 0.40 -1.26 -1.62 117.98 117.38 1dud s PHE 122 Ca 0.20 -0.77 0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1dud s PHE 122 Cb -0.04 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 1dud s PHE 122 CO 0.08 -0.35 -0.26 0.14 0.70 0.00 0.00 175.22 175.52 1dud s VAL 123 N 0.85 2.16 0.27 -0.44 -7.23 -0.09 -4.97 120.40 110.95 1dud s VAL 123 Ca -0.03 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1dud s VAL 123 Cb -0.15 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 1dud s VAL 123 CO 0.01 0.23 1.54 -2.84 -0.31 0.00 0.00 175.10 173.72 1dud s PRO 124 N -1.62 4.18 0.14 4.82 0.02 -1.26 -1.12 135.00 140.16 1dud s PRO 124 Ca 0.12 2.47 0.08 0.00 0.02 0.00 0.00 61.00 63.70 1dud s PRO 124 Cb -0.10 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1dud s PRO 124 CO 0.04 -0.55 -0.19 0.14 -0.33 0.00 0.00 177.00 176.10 1dud s VAL 125 N 0.02 1.79 -0.02 3.83 -7.23 -0.97 -4.87 120.40 112.95 1dud s VAL 125 Ca 0.62 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1dud s VAL 125 Cb -0.46 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1dud s VAL 125 CO 0.46 -0.22 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.19 1dud s VAL 126 N -1.73 3.03 -0.28 1.32 1.01 -1.26 -4.54 120.40 117.95 1dud s VAL 126 Ca 0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1dud s VAL 126 Cb -0.07 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1dud s VAL 126 CO 0.06 0.51 0.20 -1.10 0.00 0.00 0.00 175.10 174.77 1dud s GLN 127 N -0.96 3.95 0.20 2.72 -0.21 -1.26 -5.07 119.66 119.03 1dud s GLN 127 Ca 0.13 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 54.90 1dud s GLN 127 Cb -0.11 -3.66 -0.08 0.00 1.00 0.00 0.00 33.01 30.16 1dud s GLN 127 CO 0.02 -0.19 1.14 0.00 -2.12 0.00 0.00 175.29 174.14 1dud s ALA 128 N 1.77 3.40 -0.35 6.09 0.00 -1.26 -5.03 121.76 126.39 1dud s ALA 128 Ca 0.07 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1dud s ALA 128 Cb -0.16 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1dud s ALA 128 CO 0.11 -0.26 0.10 -2.00 0.00 0.00 0.00 175.76 173.70 1dud s GLU 129 N -0.52 2.36 0.03 0.00 2.12 -1.26 -5.08 118.70 116.36 1dud s GLU 129 Ca 0.50 -1.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 1dud s GLU 129 Cb -0.31 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.62 1dud s GLU 129 CO 0.37 -0.78 1.43 -0.06 -0.54 0.00 0.00 175.26 175.68 1dud s PHE 130 N 1.27 2.87 -0.45 5.30 0.08 -1.26 -5.02 117.98 120.76 1dud s PHE 130 Ca -0.00 0.78 -0.08 0.00 0.12 0.00 0.00 56.93 57.75 1dud s PHE 130 Cb -0.21 -3.70 0.11 0.00 -0.57 0.00 0.00 43.02 38.65 1dud s PHE 130 CO -0.01 -2.61 0.30 1.21 -0.10 0.00 0.00 175.22 174.02 1dud s ASN 131 N 1.81 5.63 0.11 1.36 2.47 -1.26 -5.06 114.94 120.00 1dud s ASN 131 Ca 0.65 -1.83 -0.31 0.00 0.42 0.00 0.00 52.86 51.80 1dud s ASN 131 Cb -0.33 -1.98 -0.09 0.00 -1.45 0.00 0.00 41.25 37.39 1dud s ASN 131 CO 0.28 -0.64 1.69 -0.22 -3.72 0.00 0.00 177.10 174.49 1dud s LEU 132 N 1.35 4.38 0.03 3.21 2.96 -1.26 -5.01 118.68 124.33 1dud s LEU 132 Ca 0.05 2.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 1dud s LEU 132 Cb -0.25 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 1dud s LEU 132 CO -0.01 -0.91 -0.06 0.68 -1.32 0.00 0.00 176.35 174.74 1dud s VAL 133 N 2.30 0.34 -0.17 1.68 -7.23 -1.26 -5.04 120.40 111.03 1dud s VAL 133 Ca 0.75 -1.00 0.17 0.00 -1.81 0.00 0.00 61.98 60.09 1dud s VAL 133 Cb -0.43 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 1dud s VAL 133 CO 0.33 -0.44 1.13 -0.33 -0.31 0.00 0.00 175.10 175.48 1dud h GLU 134 N 4.57 0.00 -2.52 4.82 3.07 -2.08 -3.46 114.58 118.97 1dud h GLU 134 Ca -0.34 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.44 1dud h GLU 134 Cb 1.21 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.93 1dud h GLU 134 CO 0.41 0.32 -0.01 -0.51 -1.40 0.00 0.00 179.01 177.82 1dud s ASP 135 N -6.01 -0.45 0.00 1.42 1.01 -1.26 -5.35 116.67 106.03 1dud s ASP 135 Ca 0.01 0.39 0.26 0.00 0.71 0.00 0.00 52.55 53.91 1dud s ASP 135 Cb 0.08 0.45 0.60 0.00 1.01 0.00 0.00 42.92 45.06 1dud s ASP 135 CO 0.78 -0.57 1.49 0.49 0.21 0.00 0.00 175.17 177.56