#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfu s LYS 2 N 0.00 3.86 -0.12 2.12 -0.14 -1.26 -1.77 119.74 122.42 2dfu s LYS 2 Ca 0.00 -0.09 -0.03 0.00 -1.36 0.00 0.00 55.97 54.49 2dfu s LYS 2 Cb 0.00 -3.71 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 2dfu s LYS 2 CO 0.00 -0.39 -0.01 0.42 -0.76 0.00 0.00 175.35 174.61 2dfu s ILE 3 N 2.10 4.16 0.11 2.17 1.01 -0.10 -1.41 121.20 129.24 2dfu s ILE 3 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2dfu s ILE 3 Cb -0.16 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2dfu s ILE 3 CO 0.11 0.54 -0.01 -1.48 0.00 0.00 0.00 174.94 174.10 2dfu s LEU 4 N -0.24 2.23 -0.05 2.97 2.34 0.12 -0.77 118.68 125.28 2dfu s LEU 4 Ca 0.05 -1.09 0.04 0.00 0.06 0.00 0.00 54.13 53.19 2dfu s LEU 4 Cb -0.12 0.12 -0.02 0.00 -0.56 0.00 0.00 46.19 45.60 2dfu s LEU 4 CO 0.02 -0.60 -0.17 -0.13 -1.06 0.00 0.00 176.35 174.41 2dfu s ARG 5 N -3.93 2.54 0.19 1.48 0.52 -1.26 -0.82 118.95 117.66 2dfu s ARG 5 Ca 0.16 -0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 2dfu s ARG 5 Cb 0.07 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.24 2dfu s ARG 5 CO -0.03 0.54 0.48 -0.59 0.02 0.00 0.00 175.30 175.72 2dfu s PHE 6 N -0.53 -0.02 0.00 -0.53 -0.71 0.32 -1.37 117.98 115.15 2dfu s PHE 6 Ca 0.07 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.63 2dfu s PHE 6 Cb -0.11 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2dfu s PHE 6 CO 0.01 -0.88 0.00 0.09 -1.34 0.00 0.00 175.22 173.10 2dfu n ASN 7 N -0.32 0.00 -1.88 1.98 3.02 -0.30 -0.48 115.26 117.29 2dfu n ASN 7 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 2dfu n ASN 7 Cb 0.62 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.68 2dfu n ASN 7 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dfu n GLU 8 N 14.00 1.74 -2.14 3.52 4.71 -1.26 -4.60 120.64 136.61 2dfu n GLU 8 Ca 0.00 -0.80 -0.10 0.00 -0.01 0.00 0.00 57.16 56.24 2dfu n GLU 8 Cb 0.00 -1.72 -0.01 0.00 -1.01 0.00 0.00 31.44 28.70 2dfu n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dfu n GLY 9 N 2.09 0.02 3.87 0.62 0.00 -0.93 -5.01 105.19 105.84 2dfu n GLY 9 Ca 0.31 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2dfu n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfu s ARG 10 N -4.42 3.72 0.10 1.61 0.52 0.37 -4.81 118.95 116.04 2dfu s ARG 10 Ca 0.00 0.62 0.07 0.00 -0.52 0.00 0.00 55.73 55.89 2dfu s ARG 10 Cb 0.00 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 2dfu s ARG 10 CO 0.00 -0.30 -0.07 -1.58 0.02 0.00 0.00 175.30 173.37 2dfu s TRP 11 N -2.76 2.81 0.28 -0.53 0.52 -1.26 -0.52 118.94 117.47 2dfu s TRP 11 Ca 0.53 -0.12 -0.21 0.00 0.02 0.00 0.00 56.10 56.33 2dfu s TRP 11 Cb -0.10 -1.46 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 2dfu s TRP 11 CO 0.41 0.44 0.76 0.20 0.02 0.00 0.00 176.95 178.79 2dfu s GLY 12 N -2.25 -0.03 -0.03 0.98 0.00 0.00 -0.64 107.32 105.35 2dfu s GLY 12 Ca 0.23 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.69 2dfu s GLY 12 CO 0.15 -0.07 -0.25 0.14 0.00 0.00 0.00 173.10 173.06 2dfu s VAL 13 N -3.59 2.09 -0.19 1.40 1.01 0.01 -0.71 120.40 120.43 2dfu s VAL 13 Ca 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 2dfu s VAL 13 Cb -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2dfu s VAL 13 CO 0.07 0.58 0.25 -0.22 0.00 0.00 0.00 175.10 175.78 2dfu s LEU 14 N -0.56 4.19 -0.35 3.92 2.96 -0.50 -0.52 118.68 127.82 2dfu s LEU 14 Ca 0.08 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2dfu s LEU 14 Cb -0.10 -2.29 0.11 0.00 0.50 0.00 0.00 46.19 44.41 2dfu s LEU 14 CO -0.00 0.08 0.14 -1.61 -1.32 0.00 0.00 176.35 173.63 2dfu s GLU 15 N 0.72 0.94 6.29 1.98 0.41 0.05 -4.56 118.70 124.52 2dfu s GLU 15 Ca 0.13 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 2dfu s GLU 15 Cb -0.13 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2dfu s GLU 15 CO 0.03 -1.05 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 2dfu n GLY 16 N 4.37 1.76 0.37 -1.39 0.00 -1.26 -1.48 105.19 107.55 2dfu n GLY 16 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2dfu n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfu n GLU 17 N 1.87 1.69 -3.57 1.61 -0.58 -1.26 -4.97 120.64 115.43 2dfu n GLU 17 Ca 0.00 -0.85 -0.38 0.00 -0.42 0.00 0.00 57.16 55.52 2dfu n GLU 17 Cb 0.00 -1.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 2dfu n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dfu s LEU 18 N -1.81 4.43 -0.31 -4.62 1.43 -0.55 -0.52 118.68 116.74 2dfu s LEU 18 Ca 0.13 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.01 2dfu s LEU 18 Cb 0.12 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2dfu s LEU 18 CO 0.33 0.31 0.05 -0.69 0.23 0.00 0.00 176.35 176.59 2dfu s VAL 19 N -0.89 3.52 -0.37 -1.59 1.01 0.12 -0.77 120.40 121.43 2dfu s VAL 19 Ca 0.22 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2dfu s VAL 19 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2dfu s VAL 19 CO 0.11 -0.05 0.44 -0.76 0.00 0.00 0.00 175.10 174.84 2dfu s LEU 20 N 1.38 4.54 0.49 3.92 2.01 0.32 -0.98 118.68 130.36 2dfu s LEU 20 Ca -0.01 -0.30 -0.23 0.00 0.01 0.00 0.00 54.13 53.59 2dfu s LEU 20 Cb -0.19 -2.44 -0.06 0.00 0.01 0.00 0.00 46.19 43.51 2dfu s LEU 20 CO 0.01 -0.47 1.28 -0.70 1.01 0.00 0.00 176.35 177.48 2dfu s GLU 21 N 2.19 3.51 0.15 1.70 2.12 -0.62 -0.81 118.70 126.95 2dfu s GLU 21 Ca 0.14 2.06 0.03 0.00 0.36 0.00 0.00 54.97 57.56 2dfu s GLU 21 Cb -0.16 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 2dfu s GLU 21 CO 0.13 -0.83 -0.05 0.95 -0.54 0.00 0.00 175.26 174.91 2dfu s THR 22 N -1.38 0.90 -0.77 -1.70 -4.23 0.19 -1.96 115.64 106.68 2dfu s THR 22 Ca 0.66 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 2dfu s THR 22 Cb -0.36 -1.93 0.10 0.00 1.34 0.00 0.00 72.50 71.66 2dfu s THR 22 CO 0.43 -0.66 1.00 -0.62 -0.54 0.00 0.00 174.62 174.23 2dfu s ASP 23 N -3.15 6.38 0.00 3.99 -1.08 0.60 -4.25 116.67 119.17 2dfu s ASP 23 Ca 0.19 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.68 2dfu s ASP 23 Cb 0.05 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2dfu s ASP 23 CO 0.01 -1.22 0.00 0.61 0.52 0.00 0.00 175.17 175.09 2dfu n GLY 24 N 5.39 -1.21 3.67 2.66 0.00 -1.26 -3.78 105.19 110.66 2dfu n GLY 24 Ca 0.08 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2dfu n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dfu n PRO 25 N -1.47 2.72 -1.37 1.61 -0.02 -1.26 -1.67 135.00 133.55 2dfu n PRO 25 Ca 0.00 1.00 -0.13 0.00 -2.02 0.00 0.00 63.50 62.34 2dfu n PRO 25 Cb 0.00 -2.92 -0.06 0.00 -0.02 0.00 0.00 33.50 30.50 2dfu n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfu n GLY 26 N 4.46 1.25 1.42 -1.23 0.00 -1.26 -4.96 105.19 104.87 2dfu n GLY 26 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2dfu n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfu n GLY 27 N 0.09 -1.48 3.77 -0.02 0.00 -0.67 -5.00 105.19 101.89 2dfu n GLY 27 Ca -0.13 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2dfu n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfu s ASN 28 N -2.79 6.11 0.61 1.61 0.01 -1.26 -4.30 114.94 114.94 2dfu s ASN 28 Ca 0.28 2.98 -0.19 0.00 -0.71 0.00 0.00 52.86 55.22 2dfu s ASN 28 Cb -0.01 -2.66 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 2dfu s ASN 28 CO 0.20 -1.03 1.24 -2.84 -1.51 0.00 0.00 177.10 173.16 2dfu s PRO 29 N -2.28 2.82 0.02 -0.60 0.02 -1.26 -0.29 135.00 133.43 2dfu s PRO 29 Ca 0.57 1.92 0.22 0.00 0.02 0.00 0.00 61.00 63.73 2dfu s PRO 29 Cb -0.45 -1.90 -0.22 0.00 0.02 0.00 0.00 34.50 31.96 2dfu s PRO 29 CO 0.59 -1.35 0.70 0.25 -0.33 0.00 0.00 177.00 176.86 2dfu n THR 30 N -1.70 0.12 0.00 0.99 -2.24 -0.83 -4.77 114.28 105.84 2dfu n THR 30 Ca 0.14 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2dfu n THR 30 Cb 0.49 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2dfu n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dfu n GLY 31 N 1.30 1.72 3.82 3.38 0.00 -1.26 -5.08 105.19 109.07 2dfu n GLY 31 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2dfu n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfu s ARG 32 N -0.66 4.18 0.09 1.61 0.52 -1.26 -5.01 118.95 118.42 2dfu s ARG 32 Ca 0.00 0.76 0.03 0.00 -0.52 0.00 0.00 55.73 56.00 2dfu s ARG 32 Cb 0.00 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2dfu s ARG 32 CO 0.00 0.45 -0.09 -0.98 0.02 0.00 0.00 175.30 174.70 2dfu s ARG 33 N -1.84 0.80 0.05 3.54 1.70 -1.26 -1.59 118.95 120.35 2dfu s ARG 33 Ca 0.40 -1.12 -0.05 0.00 -0.47 0.00 0.00 55.73 54.48 2dfu s ARG 33 Cb -0.17 -0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 33.74 2dfu s ARG 33 CO 0.20 0.07 0.09 0.71 -1.08 0.00 0.00 175.30 175.29 2dfu s TYR 34 N -2.44 0.25 -0.01 5.89 1.51 -0.15 -4.97 117.35 117.42 2dfu s TYR 34 Ca 0.04 -0.62 -0.21 0.00 -1.01 0.00 0.00 57.07 55.27 2dfu s TYR 34 Cb -0.03 -0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 41.60 2dfu s TYR 34 CO -0.01 -0.39 0.62 0.34 -1.11 0.00 0.00 175.55 175.00 2dfu s ASP 35 N -2.38 6.98 0.16 2.29 2.15 -1.26 0.13 116.67 124.75 2dfu s ASP 35 Ca -0.01 1.18 -0.22 0.00 0.43 0.00 0.00 52.55 53.92 2dfu s ASP 35 Cb 0.01 -2.38 0.06 0.00 -0.30 0.00 0.00 42.92 40.31 2dfu s ASP 35 CO -0.07 0.06 1.61 0.25 -0.17 0.00 0.00 175.17 176.86 2dfu h LEU 36 N 5.82 -0.96 -1.92 -1.34 5.85 -1.14 -1.67 115.31 119.95 2dfu h LEU 36 Ca -0.44 0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.56 2dfu h LEU 36 Cb 1.20 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 2dfu h LEU 36 CO 0.71 -0.30 0.47 0.00 -0.34 0.00 0.00 178.44 178.97 2dfu h ALA 37 N 0.80 2.06 -0.46 1.25 0.00 -1.94 -1.86 119.26 119.11 2dfu h ALA 37 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dfu h ALA 37 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dfu h ALA 37 CO -0.49 -0.67 0.00 -1.13 0.00 0.00 0.00 179.25 176.96 2dfu n SER 38 N -3.59 3.59 -4.79 0.00 3.41 -0.63 -4.96 113.62 106.65 2dfu n SER 38 Ca 0.07 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.44 2dfu n SER 38 Cb 0.64 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2dfu n SER 38 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2dfu s VAL 39 N -1.38 4.36 -0.41 -3.33 -7.23 -0.70 -4.98 120.40 106.72 2dfu s VAL 39 Ca 0.41 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.12 2dfu s VAL 39 Cb 0.23 -3.28 0.02 0.00 0.56 0.00 0.00 36.38 33.91 2dfu s VAL 39 CO 0.32 -0.22 0.44 -0.89 -0.31 0.00 0.00 175.10 174.44 2dfu s THR 40 N -1.94 5.08 0.26 5.32 2.01 -1.26 -4.95 115.64 120.16 2dfu s THR 40 Ca 0.31 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 2dfu s THR 40 Cb -0.09 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2dfu s THR 40 CO 0.23 -0.39 1.22 -0.76 -0.69 0.00 0.00 174.62 174.24 2dfu s LEU 41 N 2.16 4.47 0.37 4.42 1.43 -1.26 -1.15 118.68 129.13 2dfu s LEU 41 Ca 0.13 2.42 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 2dfu s LEU 41 Cb -0.17 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 2dfu s LEU 41 CO 0.14 -0.38 -0.04 -0.76 0.23 0.00 0.00 176.35 175.54 2dfu s LEU 42 N -1.07 2.76 0.32 1.79 1.43 -0.47 -4.30 118.68 119.13 2dfu s LEU 42 Ca 0.50 -1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.02 2dfu s LEU 42 Cb -0.35 -0.90 -0.11 0.00 0.03 0.00 0.00 46.19 44.85 2dfu s LEU 42 CO 0.43 -0.34 1.52 -2.84 0.23 0.00 0.00 176.35 175.35 2dfu s PRO 43 N -3.68 4.15 -0.72 1.29 0.02 -1.26 -4.44 135.00 130.37 2dfu s PRO 43 Ca 0.34 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.81 2dfu s PRO 43 Cb 0.06 -3.01 -0.18 0.00 0.02 0.00 0.00 34.50 31.39 2dfu s PRO 43 CO 0.17 -0.55 3.24 -0.35 -0.33 0.00 0.00 177.00 179.18 2dfu n PRO 44 N 1.49 2.69 -3.62 5.54 -0.04 -1.26 -4.67 135.00 135.12 2dfu n PRO 44 Ca 0.05 -1.50 -0.03 0.00 -0.04 0.00 0.00 63.50 61.97 2dfu n PRO 44 Cb 0.39 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 2dfu n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dfu s ALA 45 N 1.61 -2.13 -0.52 0.55 0.00 -1.26 -4.86 121.76 115.16 2dfu s ALA 45 Ca 0.66 1.78 0.06 0.00 0.00 0.00 0.00 51.96 54.46 2dfu s ALA 45 Cb 0.25 -0.55 0.21 0.00 0.00 0.00 0.00 23.12 23.03 2dfu s ALA 45 CO -0.03 -0.49 0.50 0.25 0.00 0.00 0.00 175.76 176.00 2dfu n THR 46 N 0.10 0.25 -2.41 0.00 -2.24 -1.26 -5.12 114.28 103.60 2dfu n THR 46 Ca 0.02 -4.25 -0.38 0.00 -2.27 0.00 0.00 64.05 57.16 2dfu n THR 46 Cb 0.58 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.83 2dfu n THR 46 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dfu s PRO 47 N -1.10 4.26 0.32 -0.78 0.04 -1.16 -4.72 135.00 131.86 2dfu s PRO 47 Ca 0.33 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.33 2dfu s PRO 47 Cb 0.08 -2.80 0.17 0.00 0.04 0.00 0.00 34.50 31.99 2dfu s PRO 47 CO -0.13 -0.11 1.37 1.79 0.04 0.00 0.00 177.00 179.95 2dfu h THR 48 N 2.53 0.17 -2.35 1.26 1.35 -1.87 -3.46 112.91 110.54 2dfu h THR 48 Ca -0.48 -1.26 0.10 0.00 -0.55 0.00 0.00 66.41 64.22 2dfu h THR 48 Cb 1.22 1.93 -0.14 0.00 -1.73 0.00 0.00 68.15 69.42 2dfu h THR 48 CO 0.64 0.10 0.47 -1.59 -0.25 0.00 0.00 175.52 174.88 2dfu s LYS 49 N -3.19 0.89 -0.18 4.72 -2.85 -1.26 -4.87 119.74 113.00 2dfu s LYS 49 Ca 0.04 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 2dfu s LYS 49 Cb 0.07 0.40 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 2dfu s LYS 49 CO 0.73 -0.39 -0.08 0.42 0.10 0.00 0.00 175.35 176.12 2dfu s ILE 50 N -3.19 1.41 -0.19 3.79 1.01 -1.16 -2.93 121.20 119.94 2dfu s ILE 50 Ca 0.05 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2dfu s ILE 50 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2dfu s ILE 50 CO -0.09 0.18 0.07 -0.69 0.00 0.00 0.00 174.94 174.41 2dfu s VAL 51 N 1.51 4.87 0.05 2.92 1.01 -0.47 -1.49 120.40 128.80 2dfu s VAL 51 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2dfu s VAL 51 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2dfu s VAL 51 CO -0.08 0.45 -0.25 0.00 0.00 0.00 0.00 175.10 175.22 2dfu s VAL 53 N -0.83 5.23 0.00 0.00 1.01 -0.92 -0.69 120.40 124.20 2dfu s VAL 53 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2dfu s VAL 53 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2dfu s VAL 53 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2dfu n GLY 54 N 1.16 0.65 3.74 4.51 0.00 0.14 -4.01 105.19 111.38 2dfu n GLY 54 Ca -0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2dfu n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dfu s ARG 55 N 0.00 4.35 0.00 1.61 3.52 -1.26 -4.41 118.95 122.75 2dfu s ARG 55 Ca 0.00 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 2dfu s ARG 55 Cb 0.00 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2dfu s ARG 55 CO 0.00 -0.31 0.12 -1.71 -0.81 0.00 0.00 175.30 172.59 2dfu n ASN 56 N 2.50 0.00 -0.45 -2.12 5.15 -1.26 -4.73 115.26 114.36 2dfu n ASN 56 Ca 0.06 -1.00 0.07 0.00 -0.60 0.00 0.00 54.58 53.11 2dfu n ASN 56 Cb 0.42 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 39.84 2dfu n ASN 56 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2dfu n TYR 57 N 0.00 0.00 -0.09 1.20 4.02 -1.26 -0.02 117.16 121.01 2dfu n TYR 57 Ca 0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 57.90 56.63 2dfu n TYR 57 Cb 0.42 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 2dfu n TYR 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2dfu n PRO 73 N -1.14 0.00 0.17 -0.72 -0.02 -1.26 -4.85 135.00 127.17 2dfu n PRO 73 Ca 0.17 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 2dfu n PRO 73 Cb 0.69 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.31 2dfu n PRO 73 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2dfu h LYS 74 N 0.00 0.00 -5.11 -0.52 2.10 -2.03 -3.45 116.57 107.55 2dfu h LYS 74 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 2dfu h LYS 74 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 2dfu h LYS 74 CO 0.00 0.37 -0.73 -1.21 -2.00 0.00 0.00 179.45 175.88 2dfu s GLU 75 N -3.15 0.96 0.25 0.07 2.02 -1.26 -5.13 118.70 112.45 2dfu s GLU 75 Ca 0.04 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.46 2dfu s GLU 75 Cb 0.08 -0.65 -0.10 0.00 0.10 0.00 0.00 34.13 33.56 2dfu s GLU 75 CO 0.71 0.10 1.35 -2.14 0.02 0.00 0.00 175.26 175.30 2dfu s PRO 76 N -3.06 4.35 -0.03 0.39 0.02 -1.26 -4.98 135.00 130.43 2dfu s PRO 76 Ca 0.10 2.17 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 2dfu s PRO 76 Cb -0.02 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2dfu s PRO 76 CO 0.01 -0.28 0.86 0.20 -0.33 0.00 0.00 177.00 177.46 2dfu s GLY 77 N 0.14 2.78 0.15 0.52 0.00 -1.26 -4.95 107.32 104.70 2dfu s GLY 77 Ca 0.56 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.75 2dfu s GLY 77 CO 0.43 1.49 -0.23 1.08 0.00 0.00 0.00 173.10 175.86 2dfu s LEU 78 N 0.95 2.38 -0.01 0.66 1.43 -1.26 0.28 118.68 123.11 2dfu s LEU 78 Ca 0.46 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 2dfu s LEU 78 Cb -0.20 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 44.99 2dfu s LEU 78 CO 0.24 0.10 0.50 0.72 0.23 0.00 0.00 176.35 178.14 2dfu s PHE 79 N -1.45 -0.41 0.15 0.29 -0.71 0.13 -4.94 117.98 111.04 2dfu s PHE 79 Ca 0.15 0.60 0.04 0.00 -1.04 0.00 0.00 56.93 56.68 2dfu s PHE 79 Cb -0.09 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2dfu s PHE 79 CO 0.07 -0.55 0.21 -0.51 -1.34 0.00 0.00 175.22 173.11 2dfu s LEU 80 N -1.51 4.10 -0.03 -1.99 1.43 -1.26 -0.02 118.68 119.40 2dfu s LEU 80 Ca -0.10 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2dfu s LEU 80 Cb -0.02 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2dfu s LEU 80 CO 0.04 0.07 -0.11 -0.54 0.23 0.00 0.00 176.35 176.03 2dfu s LYS 81 N -3.14 1.14 0.62 1.70 1.02 -0.56 -4.67 119.74 115.86 2dfu s LYS 81 Ca 0.33 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.82 2dfu s LYS 81 Cb -0.11 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2dfu s LYS 81 CO 0.26 0.16 1.03 0.20 -0.92 0.00 0.00 175.35 176.08 2dfu s GLY 82 N 0.11 1.70 0.64 -3.33 0.00 -1.26 -3.00 107.32 102.18 2dfu s GLY 82 Ca -0.02 -0.04 0.37 0.00 0.00 0.00 0.00 44.72 45.03 2dfu s GLY 82 CO 0.01 0.24 2.25 -2.55 0.00 0.00 0.00 173.10 173.05 2dfu h PRO 83 N -0.25 0.00 0.00 2.90 0.11 -1.89 -1.18 132.00 131.69 2dfu h PRO 83 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2dfu h PRO 83 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dfu h PRO 83 CO 0.61 0.00 0.00 -2.95 -0.21 0.00 0.00 178.00 175.45 2dfu h ASN 84 N 0.00 0.00 1.12 -2.05 -1.07 -1.92 -1.20 115.58 110.46 2dfu h ASN 84 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.35 2dfu h ASN 84 Cb 0.15 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.40 2dfu h ASN 84 CO -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 177.43 177.35 2dfu h ALA 85 N 2.00 0.99 -2.54 4.14 0.00 -1.39 -2.60 119.26 119.85 2dfu h ALA 85 Ca 0.00 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 54.22 2dfu h ALA 85 Cb 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 17.89 2dfu h ALA 85 CO 0.00 0.19 0.77 1.28 0.00 0.00 0.00 179.25 181.49 2dfu n LEU 86 N -3.26 3.72 -3.98 0.00 4.77 -0.46 0.36 117.00 118.15 2dfu n LEU 86 Ca 0.01 1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 56.92 2dfu n LEU 86 Cb 0.42 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.85 2dfu n LEU 86 CO 0.32 -0.15 -0.43 0.00 -1.33 0.00 0.00 177.39 175.80 2dfu s ALA 87 N 0.12 0.80 0.27 -1.18 0.00 -0.74 -4.40 121.76 116.63 2dfu s ALA 87 Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2dfu s ALA 87 Cb -0.57 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.11 2dfu s ALA 87 CO 0.47 0.12 1.50 0.54 0.00 0.00 0.00 175.76 178.39 2dfu n ARG 88 N 3.38 2.40 -2.19 0.00 1.74 -1.26 -2.25 116.66 118.47 2dfu n ARG 88 Ca -0.19 0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 57.43 2dfu n ARG 88 Cb 0.54 -2.58 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 2dfu n ARG 88 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dfu s PRO 89 N -0.53 3.81 0.22 5.56 0.04 -1.26 -2.23 135.00 140.62 2dfu s PRO 89 Ca 0.65 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2dfu s PRO 89 Cb -0.56 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 2dfu s PRO 89 CO 0.50 -0.39 1.06 0.20 0.04 0.00 0.00 177.00 178.41 2dfu s GLY 90 N -3.49 2.98 0.03 0.56 0.00 0.10 -4.45 107.32 103.05 2dfu s GLY 90 Ca 0.57 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.79 2dfu s GLY 90 CO 0.40 1.50 1.56 0.21 0.00 0.00 0.00 173.10 176.77 2dfu s ASN 91 N -0.57 6.71 0.28 1.64 3.84 -1.26 -4.53 114.94 121.04 2dfu s ASN 91 Ca 0.46 2.31 0.13 0.00 0.21 0.00 0.00 52.86 55.97 2dfu s ASN 91 Cb -0.29 -2.56 0.71 0.00 -0.55 0.00 0.00 41.25 38.55 2dfu s ASN 91 CO 0.36 -0.83 1.31 -2.65 -2.79 0.00 0.00 177.10 172.50 2dfu n PRO 92 N 5.72 0.09 0.08 0.43 -0.02 -1.26 -0.34 135.00 139.70 2dfu n PRO 92 Ca 0.15 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 2dfu n PRO 92 Cb 0.42 -2.01 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 2dfu n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dfu n ARG 93 N -2.00 0.46 -2.73 -0.52 5.12 -1.26 -4.57 116.66 111.16 2dfu n ARG 93 Ca -0.01 0.09 -0.07 0.00 -1.93 0.00 0.00 57.85 55.93 2dfu n ARG 93 Cb 0.25 -1.75 0.06 0.00 -1.16 0.00 0.00 32.46 29.86 2dfu n ARG 93 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2dfu n ASP 94 N -2.39 -2.51 0.09 0.55 2.03 -0.08 -5.07 116.55 109.17 2dfu n ASP 94 Ca 0.01 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.28 2dfu n ASP 94 Cb 0.50 1.55 -0.06 0.00 -0.72 0.00 0.00 41.12 42.40 2dfu n ASP 94 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dfu h PRO 95 N 3.79 -0.26 0.00 -0.67 0.13 -0.93 -3.03 132.00 131.03 2dfu h PRO 95 Ca -0.17 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2dfu h PRO 95 Cb 1.08 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2dfu h PRO 95 CO 0.20 -0.18 -0.21 -1.49 -0.23 0.00 0.00 178.00 176.09 2dfu h TRP 96 N -0.27 0.00 -0.02 1.56 -0.00 -1.95 -1.59 115.95 113.68 2dfu h TRP 96 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 2dfu h TRP 96 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 2dfu h TRP 96 CO -0.16 0.21 -0.27 0.41 -0.00 0.00 0.00 178.44 178.64 2dfu n GLY 97 N -0.39 0.07 0.01 1.49 0.00 -1.21 -4.47 105.19 100.69 2dfu n GLY 97 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2dfu n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfu n THR 98 N 0.14 0.13 -1.74 2.61 -2.24 -1.12 -5.05 114.28 107.00 2dfu n THR 98 Ca 0.12 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 2dfu n THR 98 Cb 0.45 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2dfu n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfu n ALA 99 N -2.04 1.86 -2.57 6.98 0.00 -0.61 -4.80 120.51 119.33 2dfu n ALA 99 Ca -0.03 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 2dfu n ALA 99 Cb 0.53 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2dfu n ALA 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2dfu s GLU 100 N -2.06 4.04 0.55 0.00 2.12 -0.94 -4.91 118.70 117.49 2dfu s GLU 100 Ca 0.55 1.15 -0.21 0.00 0.36 0.00 0.00 54.97 56.83 2dfu s GLU 100 Cb -0.51 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.06 2dfu s GLU 100 CO 0.62 -0.94 1.27 -2.14 -0.54 0.00 0.00 175.26 173.53 2dfu s PRO 101 N 3.77 3.19 -0.45 4.30 0.02 -1.26 -4.60 135.00 139.97 2dfu s PRO 101 Ca 0.49 2.02 -0.17 0.00 0.02 0.00 0.00 61.00 63.35 2dfu s PRO 101 Cb -0.14 -2.17 0.04 0.00 0.02 0.00 0.00 34.50 32.25 2dfu s PRO 101 CO 0.17 -1.09 0.45 0.08 -0.33 0.00 0.00 177.00 176.28 2dfu s VAL 102 N -1.43 5.10 0.24 3.83 1.01 0.11 -4.76 120.40 124.49 2dfu s VAL 102 Ca 0.72 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 2dfu s VAL 102 Cb -0.35 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.80 2dfu s VAL 102 CO 0.40 -0.52 1.55 -2.65 0.00 0.00 0.00 175.10 173.88 2dfu n PRO 103 N 5.57 2.39 -2.47 2.72 -0.02 -1.26 -0.70 135.00 141.23 2dfu n PRO 103 Ca -0.09 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 2dfu n PRO 103 Cb 0.46 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 2dfu n PRO 103 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2dfu s TYR 104 N 0.31 2.49 0.60 6.00 6.14 -1.15 -4.84 117.35 126.90 2dfu s TYR 104 Ca 0.70 0.54 -0.18 0.00 0.64 0.00 0.00 57.07 58.77 2dfu s TYR 104 Cb -0.58 -4.42 -0.07 0.00 0.42 0.00 0.00 41.96 37.31 2dfu s TYR 104 CO 0.45 -1.75 0.61 -2.30 0.64 0.00 0.00 175.55 173.20 2dfu n PRO 105 N 8.34 0.55 0.09 4.97 -0.02 -1.26 -1.10 135.00 146.57 2dfu n PRO 105 Ca 0.12 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 2dfu n PRO 105 Cb 0.49 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 2dfu n PRO 105 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2dfu h PHE 106 N 0.20 0.00 0.00 6.00 3.57 -1.86 -3.29 116.94 121.55 2dfu h PHE 106 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2dfu h PHE 106 Cb 1.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.13 2dfu h PHE 106 CO 0.33 0.85 0.00 1.97 -2.23 0.00 0.00 178.31 179.22 2dfu n PHE 107 N -3.45 0.00 -4.28 0.41 1.16 -1.26 -4.86 117.46 105.19 2dfu n PHE 107 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2dfu n PHE 107 Cb 0.83 -0.24 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 2dfu n PHE 107 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2dfu s THR 108 N -2.48 0.75 0.00 1.97 -1.32 -1.24 -4.85 115.64 108.47 2dfu s THR 108 Ca 0.25 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2dfu s THR 108 Cb 0.16 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 2dfu s THR 108 CO 0.35 -0.35 0.32 -0.62 -2.21 0.00 0.00 174.62 172.11 2dfu n GLU 109 N -0.33 0.14 -3.44 7.08 1.02 -1.26 -4.86 120.64 118.98 2dfu n GLU 109 Ca -0.05 -0.35 -0.26 0.00 -0.02 0.00 0.00 57.16 56.48 2dfu n GLU 109 Cb 0.64 -0.57 -0.09 0.00 -0.02 0.00 0.00 31.44 31.39 2dfu n GLU 109 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dfu n GLU 110 N -0.04 0.95 -3.36 3.49 4.07 -1.26 -5.07 120.64 119.43 2dfu n GLU 110 Ca 0.00 -3.64 -0.38 0.00 -0.06 0.00 0.00 57.16 53.08 2dfu n GLU 110 Cb 0.33 -1.75 -0.07 0.00 -0.06 0.00 0.00 31.44 29.89 2dfu n GLU 110 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2dfu s LEU 111 N -0.90 4.18 0.19 4.31 2.96 -1.26 -1.04 118.68 127.11 2dfu s LEU 111 Ca 0.33 0.59 0.10 0.00 -0.22 0.00 0.00 54.13 54.92 2dfu s LEU 111 Cb 0.07 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2dfu s LEU 111 CO -0.15 -0.08 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.67 2dfu s HIS 112 N 1.23 2.53 0.15 5.38 3.76 0.31 0.17 115.29 128.82 2dfu s HIS 112 Ca 0.21 -0.26 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 2dfu s HIS 112 Cb -0.15 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 2dfu s HIS 112 CO 0.08 0.52 0.04 1.52 -0.85 0.00 0.00 174.74 176.05 2dfu s TYR 113 N -1.73 2.97 -0.28 1.40 -0.85 -0.99 -1.01 117.35 116.85 2dfu s TYR 113 Ca 0.24 -0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.73 2dfu s TYR 113 Cb -0.08 -1.45 0.16 0.00 0.38 0.00 0.00 41.96 40.97 2dfu s TYR 113 CO 0.14 0.51 0.44 -1.21 -1.52 0.00 0.00 175.55 173.91 2dfu s GLU 114 N -2.85 0.43 0.13 -3.49 2.02 -1.19 -4.04 118.70 109.71 2dfu s GLU 114 Ca 0.28 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.25 2dfu s GLU 114 Cb -0.10 -0.22 -0.06 0.00 0.10 0.00 0.00 34.13 33.85 2dfu s GLU 114 CO 0.20 -0.97 1.04 0.20 0.02 0.00 0.00 175.26 175.75 2dfu s GLY 115 N 2.60 2.88 0.14 -1.39 0.00 -1.26 -0.03 107.32 110.26 2dfu s GLY 115 Ca 0.11 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.42 2dfu s GLY 115 CO -0.27 1.61 0.28 -0.54 0.00 0.00 0.00 173.10 174.17 2dfu s GLU 116 N 0.01 1.08 -0.00 2.90 2.02 -0.12 -4.42 118.70 120.17 2dfu s GLU 116 Ca 0.49 -1.06 -0.25 0.00 0.02 0.00 0.00 54.97 54.17 2dfu s GLU 116 Cb -0.26 0.38 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 2dfu s GLU 116 CO 0.32 -0.39 0.76 -1.17 0.02 0.00 0.00 175.26 174.79 2dfu s LEU 117 N -2.92 4.39 0.12 1.80 2.96 -1.26 -1.68 118.68 122.09 2dfu s LEU 117 Ca 0.12 1.37 0.08 0.00 -0.22 0.00 0.00 54.13 55.48 2dfu s LEU 117 Cb 0.03 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2dfu s LEU 117 CO -0.04 -0.06 -0.11 0.00 -1.32 0.00 0.00 176.35 174.82 2dfu s ALA 118 N 0.38 2.93 -0.08 5.97 0.00 0.26 -2.20 121.76 129.01 2dfu s ALA 118 Ca 0.39 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2dfu s ALA 118 Cb -0.19 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2dfu s ALA 118 CO 0.22 0.59 -0.24 0.08 0.00 0.00 0.00 175.76 176.41 2dfu s VAL 119 N -1.33 2.09 -0.25 0.00 1.01 0.27 -1.42 120.40 120.77 2dfu s VAL 119 Ca 0.22 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2dfu s VAL 119 Cb -0.10 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 2dfu s VAL 119 CO 0.14 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 175.11 2dfu s VAL 120 N 0.08 3.58 0.18 2.92 1.01 0.25 -1.07 120.40 127.35 2dfu s VAL 120 Ca -0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2dfu s VAL 120 Cb -0.16 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2dfu s VAL 120 CO 0.06 0.29 1.33 -0.69 0.00 0.00 0.00 175.10 176.09 2dfu s VAL 121 N 1.48 3.22 -0.25 2.92 1.01 -0.58 -0.93 120.40 127.27 2dfu s VAL 121 Ca 0.04 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 2dfu s VAL 121 Cb -0.15 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.43 2dfu s VAL 121 CO -0.01 0.13 -0.19 0.61 0.00 0.00 0.00 175.10 175.65 2dfu n GLY 122 N 2.58 -0.40 3.36 4.51 0.00 0.21 0.98 105.19 116.42 2dfu n GLY 122 Ca 0.07 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2dfu n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfu s ASP 123 N -6.74 3.16 0.24 1.61 1.01 -0.57 -4.61 116.67 110.77 2dfu s ASP 123 Ca -0.34 -0.70 -0.31 0.00 0.71 0.00 0.00 52.55 51.91 2dfu s ASP 123 Cb 0.10 -0.22 -0.14 0.00 1.01 0.00 0.00 42.92 43.67 2dfu s ASP 123 CO 0.60 0.18 1.35 -1.14 0.21 0.00 0.00 175.17 176.37 2dfu n ARG 124 N 1.14 1.91 -4.01 8.23 0.63 -1.26 -4.65 116.66 118.65 2dfu n ARG 124 Ca -0.18 0.68 -0.31 0.00 -0.92 0.00 0.00 57.85 57.12 2dfu n ARG 124 Cb 0.53 -2.30 -0.16 0.00 0.45 0.00 0.00 32.46 30.98 2dfu n ARG 124 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2dfu s MET 125 N -0.57 2.14 -0.08 -0.14 -1.94 0.13 -4.97 119.30 113.87 2dfu s MET 125 Ca 0.67 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.79 2dfu s MET 125 Cb -0.67 -2.42 0.04 0.00 2.01 0.00 0.00 34.83 33.80 2dfu s MET 125 CO 0.51 -0.40 0.10 0.50 -0.01 0.00 0.00 175.02 175.73 2dfu s ARG 126 N 1.38 -0.01 -1.01 2.03 3.52 -1.26 -1.04 118.95 122.55 2dfu s ARG 126 Ca -0.01 0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.89 2dfu s ARG 126 Cb -0.16 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.57 2dfu s ARG 126 CO -0.09 -0.38 0.84 0.72 -0.81 0.00 0.00 175.30 175.59 2dfu n HIS 127 N 5.31 -2.40 -3.90 5.12 8.25 0.82 -4.99 115.22 123.42 2dfu n HIS 127 Ca -0.04 0.80 -0.35 0.00 -0.26 0.00 0.00 57.72 57.87 2dfu n HIS 127 Cb 0.50 -3.91 -0.14 0.00 1.12 0.00 0.00 29.99 27.56 2dfu n HIS 127 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dfu s VAL 128 N -3.33 3.36 0.68 1.59 1.01 -1.26 -5.04 120.40 117.42 2dfu s VAL 128 Ca 0.37 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2dfu s VAL 128 Cb -0.08 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2dfu s VAL 128 CO 0.78 0.35 1.14 -2.16 0.00 0.00 0.00 175.10 175.20 2dfu s PRO 129 N 1.46 2.57 0.28 2.72 0.04 -1.26 -4.33 135.00 136.48 2dfu s PRO 129 Ca 0.05 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.59 2dfu s PRO 129 Cb -0.15 -1.91 0.63 0.00 0.04 0.00 0.00 34.50 33.11 2dfu s PRO 129 CO -0.03 -1.45 1.72 -1.35 0.04 0.00 0.00 177.00 175.94 2dfu h PRO 130 N -0.11 0.47 0.00 0.56 0.11 -1.94 -1.30 132.00 129.80 2dfu h PRO 130 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dfu h PRO 130 Cb 1.26 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dfu h PRO 130 CO 0.53 0.31 -0.00 0.93 -0.21 0.00 0.00 178.00 179.55 2dfu h GLU 131 N 0.48 0.00 -0.01 1.05 3.07 -1.91 -2.06 114.58 115.20 2dfu h GLU 131 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2dfu h GLU 131 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2dfu h GLU 131 CO -0.46 0.00 -0.40 1.63 -1.40 0.00 0.00 179.01 178.39 2dfu n LYS 132 N -3.11 2.10 0.30 2.33 5.02 -0.53 -4.76 118.16 119.52 2dfu n LYS 132 Ca -0.02 -0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 55.59 2dfu n LYS 132 Cb 0.11 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2dfu n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dfu h ALA 133 N 2.22 -1.10 0.00 7.82 0.00 -0.93 -2.77 119.26 124.52 2dfu h ALA 133 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dfu h ALA 133 Cb 0.42 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dfu h ALA 133 CO 0.00 -1.15 0.14 -0.07 0.00 0.00 0.00 179.25 178.17 2dfu h LEU 134 N -0.99 0.00 -0.86 0.00 3.38 -1.86 0.68 115.31 115.66 2dfu h LEU 134 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dfu h LEU 134 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2dfu h LEU 134 CO -0.05 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.70 2dfu h ASP 135 N 0.00 0.00 -0.32 -0.43 1.82 -1.82 -2.84 116.42 112.83 2dfu h ASP 135 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2dfu h ASP 135 Cb 0.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2dfu h ASP 135 CO 0.00 0.00 0.00 1.41 -1.61 0.00 0.00 179.24 179.04 2dfu n HIS 136 N -3.04 0.41 -3.27 0.28 8.25 0.23 -4.88 115.22 113.21 2dfu n HIS 136 Ca 0.02 -0.20 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 2dfu n HIS 136 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 2dfu n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dfu s VAL 137 N -1.59 5.15 -0.08 1.59 1.01 -1.08 0.65 120.40 126.04 2dfu s VAL 137 Ca 0.36 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 2dfu s VAL 137 Cb 0.20 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.49 2dfu s VAL 137 CO 0.29 0.27 0.94 0.25 0.00 0.00 0.00 175.10 176.84 2dfu h LEU 138 N 7.15 0.13 0.00 3.92 5.85 -1.26 -3.42 115.31 127.68 2dfu h LEU 138 Ca -0.38 -0.85 0.25 0.00 0.84 0.00 0.00 57.88 57.74 2dfu h LEU 138 Cb 1.17 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2dfu h LEU 138 CO 0.75 0.97 0.67 0.61 -0.34 0.00 0.00 178.44 181.10 2dfu n GLY 139 N 1.25 0.34 3.29 3.75 0.00 -1.07 -4.36 105.19 108.39 2dfu n GLY 139 Ca -0.10 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 2dfu n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfu s TYR 140 N -2.33 2.03 0.07 1.61 1.51 0.04 -0.58 117.35 119.69 2dfu s TYR 140 Ca 0.22 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2dfu s TYR 140 Cb -0.01 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2dfu s TYR 140 CO -0.00 0.11 0.05 -2.37 -1.11 0.00 0.00 175.55 172.23 2dfu n THR 141 N 1.79 0.00 -4.26 -0.71 5.66 -0.50 -0.00 114.28 116.24 2dfu n THR 141 Ca -0.17 -0.47 -0.28 0.00 -3.05 0.00 0.00 64.05 60.08 2dfu n THR 141 Cb 0.53 0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 2dfu n THR 141 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dfu s VAL 142 N -2.19 3.25 0.08 1.08 1.01 -0.61 -0.57 120.40 122.45 2dfu s VAL 142 Ca 0.07 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 2dfu s VAL 142 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2dfu s VAL 142 CO 0.05 -0.01 0.16 0.00 0.00 0.00 0.00 175.10 175.30 2dfu s ALA 143 N -1.47 -0.11 -0.24 5.51 0.00 -0.68 -1.32 121.76 123.45 2dfu s ALA 143 Ca 0.23 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2dfu s ALA 143 Cb -0.10 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.53 2dfu s ALA 143 CO 0.14 -0.48 -0.06 0.08 0.00 0.00 0.00 175.76 175.45 2dfu s VAL 144 N -3.82 1.58 -0.90 0.00 1.01 -1.05 -0.95 120.40 116.28 2dfu s VAL 144 Ca 0.05 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2dfu s VAL 144 Cb 0.05 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.65 2dfu s VAL 144 CO -0.11 -0.10 1.32 -0.62 0.00 0.00 0.00 175.10 175.59 2dfu s ASP 145 N 1.37 6.40 0.16 3.32 2.15 0.95 -3.58 116.67 127.44 2dfu s ASP 145 Ca -0.06 -1.23 -0.30 0.00 0.43 0.00 0.00 52.55 51.39 2dfu s ASP 145 Cb -0.19 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 2dfu s ASP 145 CO -0.06 -1.53 1.27 -0.63 -0.17 0.00 0.00 175.17 174.05 2dfu s ILE 146 N 4.77 3.47 -0.03 4.11 -1.09 -0.73 -3.15 121.20 128.56 2dfu s ILE 146 Ca 0.39 1.16 0.02 0.00 -2.23 0.00 0.00 60.65 60.00 2dfu s ILE 146 Cb -0.04 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2dfu s ILE 146 CO -0.02 0.15 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.86 2dfu s THR 147 N 0.39 0.81 -0.75 2.92 2.01 -0.18 -4.60 115.64 116.24 2dfu s THR 147 Ca 0.57 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 2dfu s THR 147 Cb -0.34 -0.74 0.20 0.00 0.01 0.00 0.00 72.50 71.63 2dfu s THR 147 CO 0.35 0.26 0.65 0.00 -0.69 0.00 0.00 174.62 175.19 2dfu s ALA 148 N 0.33 3.90 0.32 7.40 0.00 -0.41 0.11 121.76 133.41 2dfu s ALA 148 Ca -0.06 -3.25 0.06 0.00 0.00 0.00 0.00 51.96 48.72 2dfu s ALA 148 Cb -0.10 -3.24 0.74 0.00 0.00 0.00 0.00 23.12 20.51 2dfu s ALA 148 CO 0.01 -2.21 1.82 0.00 0.00 0.00 0.00 175.76 175.38 2dfu h ARG 149 N 7.63 0.76 0.69 0.00 -0.00 -1.39 -2.69 114.38 119.37 2dfu h ARG 149 Ca 0.04 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2dfu h ARG 149 Cb 1.02 -0.17 0.01 0.00 0.00 0.00 0.00 29.97 30.82 2dfu h ARG 149 CO 0.76 0.50 -0.33 0.38 0.00 0.00 0.00 179.97 181.28 2dfu h ASP 150 N 0.78 -0.78 0.13 7.04 3.04 -1.93 -2.93 116.42 121.76 2dfu h ASP 150 Ca 0.53 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.32 2dfu h ASP 150 Cb 0.79 0.20 -0.00 0.00 -1.04 0.00 0.00 39.33 39.28 2dfu h ASP 150 CO -0.30 -0.42 -0.02 -0.37 -2.04 0.00 0.00 179.24 176.09 2dfu h VAL 151 N -1.18 0.24 0.00 4.15 -1.51 -1.88 -0.72 116.25 115.34 2dfu h VAL 151 Ca -0.09 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2dfu h VAL 151 Cb 0.73 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2dfu h VAL 151 CO 0.16 0.02 -0.01 -0.61 -1.23 0.00 0.00 177.57 175.90 2dfu h GLN 152 N 0.00 0.00 0.00 5.19 4.15 -1.29 -0.65 115.11 122.52 2dfu h GLN 152 Ca -0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 2dfu h GLN 152 Cb 0.09 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 2dfu h GLN 152 CO 0.00 0.01 -2.07 1.63 -1.93 0.00 0.00 178.83 176.47 2dfu n LYS 153 N -3.13 0.66 -0.07 1.69 5.02 -0.28 -4.64 118.16 117.41 2dfu n LYS 153 Ca -0.02 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 2dfu n LYS 153 Cb 0.14 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.42 2dfu n LYS 153 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dfu n LYS 154 N -2.76 0.64 -0.66 1.97 5.02 -0.98 -5.00 118.16 116.39 2dfu n LYS 154 Ca -0.23 0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 56.17 2dfu n LYS 154 Cb 1.02 -1.71 0.18 0.00 -0.02 0.00 0.00 35.03 34.50 2dfu n LYS 154 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dfu n ASP 155 N -4.01 -0.63 -0.18 4.39 9.92 -0.29 -4.94 116.55 120.81 2dfu n ASP 155 Ca -0.34 0.27 -0.09 0.00 -0.53 0.00 0.00 54.79 54.10 2dfu n ASP 155 Cb 0.85 -1.36 0.01 0.00 -0.64 0.00 0.00 41.12 39.98 2dfu n ASP 155 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2dfu h LEU 156 N -1.99 0.82 -8.64 0.64 5.85 -1.94 -3.46 115.31 106.59 2dfu h LEU 156 Ca -0.47 -0.25 -0.29 0.00 0.84 0.00 0.00 57.88 57.71 2dfu h LEU 156 Cb 1.29 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.96 2dfu h LEU 156 CO 0.41 0.87 -0.52 -1.10 -0.34 0.00 0.00 178.44 177.76 2dfu s GLN 157 N -5.22 1.41 -0.05 1.25 -1.52 -1.26 -5.06 119.66 109.21 2dfu s GLN 157 Ca -0.13 -1.70 -0.00 0.00 -1.95 0.00 0.00 55.36 51.58 2dfu s GLN 157 Cb 0.12 0.31 0.04 0.00 -0.22 0.00 0.00 33.01 33.26 2dfu s GLN 157 CO 0.81 -0.50 1.91 0.91 -0.25 0.00 0.00 175.29 178.16 2dfu n TRP 158 N -0.39 0.25 0.14 0.91 8.01 -1.26 -4.48 117.44 120.63 2dfu n TRP 158 Ca 0.03 -1.10 -0.12 0.00 -1.31 0.00 0.00 57.50 55.01 2dfu n TRP 158 Cb 0.64 -0.55 -0.07 0.00 -2.01 0.00 0.00 31.31 29.33 2dfu n TRP 158 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2dfu h VAL 159 N 0.90 0.57 -0.04 -0.99 2.07 -1.96 -1.22 116.25 115.58 2dfu h VAL 159 Ca 0.05 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 2dfu h VAL 159 Cb 1.00 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2dfu h VAL 159 CO 0.12 0.12 -0.62 0.03 0.02 0.00 0.00 177.57 177.24 2dfu h ARG 160 N -0.90 0.15 -0.21 1.57 3.08 -1.91 0.31 114.38 116.47 2dfu h ARG 160 Ca -0.04 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2dfu h ARG 160 Cb 0.52 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2dfu h ARG 160 CO 0.07 0.72 -0.30 0.00 -1.07 0.00 0.00 179.97 179.39 2dfu h ALA 161 N 1.25 1.09 0.00 0.04 0.00 -1.81 -3.37 119.26 116.46 2dfu h ALA 161 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2dfu h ALA 161 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dfu h ALA 161 CO 0.09 0.57 -0.86 1.63 0.00 0.00 0.00 179.25 180.68 2dfu n LYS 162 N -4.09 1.88 -0.76 0.00 4.76 -0.46 -1.29 118.16 118.19 2dfu n LYS 162 Ca -0.01 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 2dfu n LYS 162 Cb 0.43 -0.93 0.21 0.00 -1.84 0.00 0.00 35.03 32.90 2dfu n LYS 162 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dfu n SER 163 N -1.48 2.73 -4.81 4.39 2.88 0.11 -4.78 113.62 112.65 2dfu n SER 163 Ca 0.00 -3.65 -0.31 0.00 -1.33 0.00 0.00 58.87 53.58 2dfu n SER 163 Cb 0.17 -0.63 0.05 0.00 -0.75 0.00 0.00 64.21 63.05 2dfu n SER 163 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dfu s ALA 164 N -3.19 2.64 0.26 -1.46 0.00 -1.23 -4.62 121.76 114.17 2dfu s ALA 164 Ca 0.45 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 2dfu s ALA 164 Cb 0.40 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 2dfu s ALA 164 CO 0.02 -1.26 1.15 -0.25 0.00 0.00 0.00 175.76 175.42 2dfu n ASP 165 N -3.10 1.77 -0.63 0.00 8.00 -1.26 -1.85 116.55 119.47 2dfu n ASP 165 Ca 0.08 1.17 -0.08 0.00 0.71 0.00 0.00 54.79 56.67 2dfu n ASP 165 Cb 0.53 -1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.27 2dfu n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dfu n LYS 166 N 1.13 -1.29 0.00 -1.24 4.76 -0.98 -4.82 118.16 115.72 2dfu n LYS 166 Ca 0.10 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 2dfu n LYS 166 Cb 0.31 -4.87 0.00 0.00 -1.84 0.00 0.00 35.03 28.63 2dfu n LYS 166 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2dfu n PHE 167 N -2.40 0.00 -3.20 2.13 3.01 -0.62 -4.27 117.46 112.10 2dfu n PHE 167 Ca -0.08 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.15 2dfu n PHE 167 Cb 0.45 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.83 2dfu n PHE 167 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2dfu n LEU 168 N -0.37 -0.53 -4.78 4.37 7.94 0.16 -1.77 117.00 122.02 2dfu n LEU 168 Ca 0.00 -4.36 -0.41 0.00 -1.11 0.00 0.00 56.01 50.13 2dfu n LEU 168 Cb 0.06 0.63 -0.00 0.00 0.53 0.00 0.00 43.42 44.64 2dfu n LEU 168 CO 0.00 1.98 1.12 -2.84 -1.11 0.00 0.00 177.39 176.54 2dfu s PRO 169 N -0.46 4.14 -0.12 1.96 0.02 -1.23 -1.80 135.00 137.51 2dfu s PRO 169 Ca 0.34 2.53 -0.07 0.00 0.02 0.00 0.00 61.00 63.81 2dfu s PRO 169 Cb 0.12 -2.98 0.05 0.00 0.02 0.00 0.00 34.50 31.70 2dfu s PRO 169 CO -0.15 -0.50 0.30 -1.17 -0.33 0.00 0.00 177.00 175.15 2dfu s LEU 170 N -1.96 0.31 0.00 -5.54 2.96 -0.96 -2.52 118.68 110.97 2dfu s LEU 170 Ca 0.53 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2dfu s LEU 170 Cb -0.46 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.18 2dfu s LEU 170 CO 0.61 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 176.08 2dfu n GLY 171 N 4.10 -0.01 0.22 7.98 0.00 -0.44 -4.00 105.19 113.04 2dfu n GLY 171 Ca -0.23 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2dfu n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dfu h PRO 172 N 0.00 0.00 -2.66 1.61 0.13 -1.85 -1.61 132.00 127.63 2dfu h PRO 172 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2dfu h PRO 172 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2dfu h PRO 172 CO 0.00 0.00 0.49 1.67 -0.23 0.00 0.00 178.00 179.93 2dfu s TRP 173 N -3.32 0.07 0.09 1.56 -2.14 -1.26 -4.75 118.94 109.19 2dfu s TRP 173 Ca 0.06 -0.54 0.07 0.00 2.66 0.00 0.00 56.10 58.35 2dfu s TRP 173 Cb 0.07 0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 31.14 2dfu s TRP 173 CO 0.61 -1.10 -0.11 -0.48 -2.66 0.00 0.00 176.95 173.21 2dfu s LEU 174 N -3.29 2.97 -0.21 -4.66 0.05 0.06 -4.41 118.68 109.19 2dfu s LEU 174 Ca 0.19 -0.39 -0.06 0.00 0.05 0.00 0.00 54.13 53.92 2dfu s LEU 174 Cb -0.03 -1.77 -0.03 0.00 -2.05 0.00 0.00 46.19 42.31 2dfu s LEU 174 CO 0.07 0.19 0.03 -0.70 -0.55 0.00 0.00 176.35 175.39 2dfu s GLU 175 N -2.08 3.68 0.18 1.48 2.56 0.99 -0.93 118.70 124.59 2dfu s GLU 175 Ca 0.20 -0.48 0.11 0.00 0.00 0.00 0.00 54.97 54.79 2dfu s GLU 175 Cb -0.11 -3.16 -0.10 0.00 2.00 0.00 0.00 34.13 32.76 2dfu s GLU 175 CO 0.12 0.00 1.32 1.79 -0.56 0.00 0.00 175.26 177.93 2dfu h THR 176 N 5.34 1.32 -3.70 -1.70 1.35 -1.54 0.14 112.91 114.12 2dfu h THR 176 Ca -0.36 -2.88 -0.69 0.00 -0.55 0.00 0.00 66.41 61.92 2dfu h THR 176 Cb 1.18 2.64 -0.32 0.00 -1.73 0.00 0.00 68.15 69.92 2dfu h THR 176 CO 0.61 0.75 -0.65 -0.62 -0.25 0.00 0.00 175.52 175.36 2dfu s ASP 177 N -6.57 5.06 -0.18 5.36 2.15 -1.26 -4.78 116.67 116.46 2dfu s ASP 177 Ca 0.02 -1.37 -0.29 0.00 0.43 0.00 0.00 52.55 51.33 2dfu s ASP 177 Cb 0.09 -1.77 0.13 0.00 -0.30 0.00 0.00 42.92 41.07 2dfu s ASP 177 CO 0.79 -0.33 1.01 -0.22 -0.17 0.00 0.00 175.17 176.26 2dfu s LEU 178 N 1.27 -0.37 -0.53 -1.34 2.96 -1.26 -4.81 118.68 114.60 2dfu s LEU 178 Ca -0.02 0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 54.17 2dfu s LEU 178 Cb -0.20 1.84 0.09 0.00 0.50 0.00 0.00 46.19 48.42 2dfu s LEU 178 CO -0.01 -0.31 0.56 0.21 -1.32 0.00 0.00 176.35 175.49 2dfu s ASN 179 N -0.90 6.19 0.56 3.68 3.84 -1.26 -4.94 114.94 122.10 2dfu s ASN 179 Ca -0.01 -1.33 0.27 0.00 0.21 0.00 0.00 52.86 52.00 2dfu s ASN 179 Cb -0.01 -2.25 1.48 0.00 -0.55 0.00 0.00 41.25 39.92 2dfu s ASN 179 CO 0.00 -0.88 2.01 1.55 -2.79 0.00 0.00 177.10 176.99 2dfu h PRO 180 N 8.96 0.00 -0.54 0.43 0.13 -2.00 -1.78 132.00 137.20 2dfu h PRO 180 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dfu h PRO 180 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dfu h PRO 180 CO 0.99 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.80 2dfu n GLN 181 N -4.09 2.44 -3.08 0.86 1.13 -1.26 -4.36 117.38 109.02 2dfu n GLN 181 Ca 0.07 -1.79 -0.18 0.00 -1.94 0.00 0.00 57.00 53.15 2dfu n GLN 181 Cb 0.52 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 2dfu n GLN 181 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2dfu n ASP 182 N 0.78 1.32 -3.95 1.08 2.03 -0.67 -2.49 116.55 114.65 2dfu n ASP 182 Ca 0.16 -3.05 -0.10 0.00 0.52 0.00 0.00 54.79 52.33 2dfu n ASP 182 Cb 0.51 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 2dfu n ASP 182 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dfu s THR 183 N -2.77 0.04 -0.03 5.18 -1.32 -1.26 -4.88 115.64 110.60 2dfu s THR 183 Ca 0.39 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 2dfu s THR 183 Cb 0.36 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.37 2dfu s THR 183 CO -0.07 -0.16 -0.10 0.26 -2.21 0.00 0.00 174.62 172.34 2dfu s TRP 184 N -3.98 2.83 -0.27 9.09 0.52 -1.26 -1.20 118.94 124.67 2dfu s TRP 184 Ca 0.19 -0.07 -0.00 0.00 0.02 0.00 0.00 56.10 56.24 2dfu s TRP 184 Cb 0.02 -1.64 0.04 0.00 -1.15 0.00 0.00 33.47 30.74 2dfu s TRP 184 CO 0.03 0.30 -0.06 0.08 0.02 0.00 0.00 176.95 177.32 2dfu s VAL 185 N -0.85 2.69 -0.09 4.03 1.01 -0.67 -2.09 120.40 124.44 2dfu s VAL 185 Ca 0.14 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.84 2dfu s VAL 185 Cb -0.11 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2dfu s VAL 185 CO 0.03 0.04 -0.23 -0.13 0.00 0.00 0.00 175.10 174.81 2dfu s ARG 186 N 1.24 2.88 -0.11 2.72 0.52 -0.14 -1.76 118.95 124.30 2dfu s ARG 186 Ca -0.04 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2dfu s ARG 186 Cb -0.19 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 2dfu s ARG 186 CO -0.04 0.27 -0.15 0.99 0.02 0.00 0.00 175.30 176.40 2dfu s THR 187 N 0.12 2.88 -0.08 0.02 2.01 -0.63 -0.59 115.64 119.37 2dfu s THR 187 Ca -0.11 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.19 2dfu s THR 187 Cb -0.16 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2dfu s THR 187 CO 0.06 0.54 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.02 2dfu s TYR 188 N 0.19 2.58 -0.26 4.92 1.51 0.13 -0.41 117.35 126.01 2dfu s TYR 188 Ca -0.09 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 2dfu s TYR 188 Cb -0.15 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2dfu s TYR 188 CO 0.05 -0.17 -0.07 0.08 -1.11 0.00 0.00 175.55 174.34 2dfu s VAL 189 N -0.09 2.60 -1.78 0.71 1.01 0.53 -1.46 120.40 121.92 2dfu s VAL 189 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2dfu s VAL 189 Cb -0.14 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2dfu s VAL 189 CO 0.04 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.79 2dfu n ASN 190 N 4.57 -5.50 0.00 3.32 3.02 -0.04 -1.94 115.26 118.69 2dfu n ASN 190 Ca -0.15 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2dfu n ASN 190 Cb 0.45 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 2dfu n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dfu n GLY 191 N -0.89 0.63 3.57 7.41 0.00 -1.26 -5.04 105.19 109.62 2dfu n GLY 191 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2dfu n GLY 191 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dfu s THR 192 N -2.36 4.39 0.05 2.61 2.01 -0.82 -5.04 115.64 116.48 2dfu s THR 192 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 2dfu s THR 192 Cb 0.00 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 2dfu s THR 192 CO 0.00 0.48 1.69 -0.22 -0.69 0.00 0.00 174.62 175.87 2dfu s LEU 193 N 0.36 4.36 -0.00 4.42 2.96 -1.26 -0.34 118.68 129.18 2dfu s LEU 193 Ca -0.00 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 2dfu s LEU 193 Cb -0.13 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 2dfu s LEU 193 CO 0.01 -0.91 0.00 0.54 -1.32 0.00 0.00 176.35 174.67 2dfu n ARG 194 N 6.04 2.75 -4.16 1.98 5.12 0.45 -4.92 116.66 123.91 2dfu n ARG 194 Ca 0.16 -0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.91 2dfu n ARG 194 Cb 0.41 -1.00 -0.12 0.00 -1.16 0.00 0.00 32.46 30.59 2dfu n ARG 194 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2dfu s GLN 195 N -2.01 0.74 -0.30 5.56 -0.21 -0.98 -4.48 119.66 117.98 2dfu s GLN 195 Ca -0.00 -0.85 -0.03 0.00 0.02 0.00 0.00 55.36 54.50 2dfu s GLN 195 Cb 0.00 -0.68 0.19 0.00 1.00 0.00 0.00 33.01 33.52 2dfu s GLN 195 CO 0.01 0.15 0.84 -2.00 -2.12 0.00 0.00 175.29 172.16 2dfu s GLU 196 N -1.56 0.35 0.19 2.91 2.12 -1.25 -1.60 118.70 119.86 2dfu s GLU 196 Ca -0.04 0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.64 2dfu s GLU 196 Cb -0.09 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 2dfu s GLU 196 CO 0.02 -0.64 -0.14 0.20 -0.54 0.00 0.00 175.26 174.16 2dfu s GLY 197 N 2.79 1.37 -0.19 -1.50 0.00 -0.72 -4.95 107.32 104.11 2dfu s GLY 197 Ca 0.19 -1.63 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 2dfu s GLY 197 CO -0.23 -1.73 0.01 -1.58 0.00 0.00 0.00 173.10 169.58 2dfu s HIS 198 N -3.02 3.08 -0.27 1.90 2.46 -1.26 -1.67 115.29 116.51 2dfu s HIS 198 Ca 0.21 -0.31 0.21 0.00 0.47 0.00 0.00 55.06 55.65 2dfu s HIS 198 Cb -0.00 -2.07 1.11 0.00 -0.13 0.00 0.00 32.58 31.48 2dfu s HIS 198 CO 0.06 -0.13 1.65 0.25 -2.47 0.00 0.00 174.74 174.10 2dfu n THR 199 N 4.03 1.03 0.28 0.89 -2.24 -0.34 -0.97 114.28 116.95 2dfu n THR 199 Ca -0.17 0.64 0.17 0.00 -2.27 0.00 0.00 64.05 62.43 2dfu n THR 199 Cb 0.52 -1.63 0.77 0.00 -2.10 0.00 0.00 70.33 67.89 2dfu n THR 199 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2dfu h SER 200 N 0.00 0.00 -0.22 3.42 4.64 -1.74 -2.50 113.55 117.15 2dfu h SER 200 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dfu h SER 200 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2dfu h SER 200 CO 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2dfu n GLN 201 N -3.16 1.81 -2.28 4.77 1.13 -0.14 -4.91 117.38 114.60 2dfu n GLN 201 Ca -0.00 -0.93 -0.42 0.00 -1.94 0.00 0.00 57.00 53.71 2dfu n GLN 201 Cb 0.27 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 2dfu n GLN 201 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2dfu s MET 202 N -1.64 4.40 0.16 -1.09 -1.94 -0.94 -4.49 119.30 113.74 2dfu s MET 202 Ca 0.17 1.96 -0.13 0.00 -1.71 0.00 0.00 55.69 55.98 2dfu s MET 202 Cb 0.10 -3.25 0.04 0.00 2.01 0.00 0.00 34.83 33.73 2dfu s MET 202 CO 0.09 -0.28 1.70 0.82 -0.01 0.00 0.00 175.02 177.34 2dfu h ILE 203 N 4.08 1.22 -3.25 2.53 2.04 -0.77 -3.40 117.51 119.97 2dfu h ILE 203 Ca -0.43 -0.71 -0.66 0.00 1.00 0.00 0.00 64.86 64.06 2dfu h ILE 203 Cb 1.21 0.70 -0.34 0.00 -0.74 0.00 0.00 36.82 37.66 2dfu h ILE 203 CO 0.81 0.27 -0.87 -0.36 0.00 0.00 0.00 178.15 178.00 2dfu s PHE 204 N -5.50 2.50 0.71 1.37 0.08 -1.26 -5.12 117.98 110.76 2dfu s PHE 204 Ca -0.13 -1.19 -0.11 0.00 0.12 0.00 0.00 56.93 55.62 2dfu s PHE 204 Cb 0.12 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2dfu s PHE 204 CO 0.78 -0.54 1.07 -1.54 -0.10 0.00 0.00 175.22 174.90 2dfu s SER 205 N 0.72 5.13 0.22 1.36 1.04 -1.26 -4.76 113.70 116.15 2dfu s SER 205 Ca -0.10 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 57.96 2dfu s SER 205 Cb -0.16 -2.51 0.36 0.00 0.10 0.00 0.00 66.02 63.81 2dfu s SER 205 CO 0.01 -1.61 1.70 0.58 0.98 0.00 0.00 173.24 174.90 2dfu h VAL 206 N -0.74 0.60 -0.75 5.02 2.07 -1.96 0.17 116.25 120.67 2dfu h VAL 206 Ca -0.44 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2dfu h VAL 206 Cb 1.22 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2dfu h VAL 206 CO 0.55 0.05 0.49 0.00 0.02 0.00 0.00 177.57 178.69 2dfu h ALA 207 N 1.53 1.49 -0.23 1.67 0.00 -1.91 -0.16 119.26 121.65 2dfu h ALA 207 Ca 0.36 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 2dfu h ALA 207 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dfu h ALA 207 CO -0.44 0.46 -0.62 0.93 0.00 0.00 0.00 179.25 179.58 2dfu h GLU 208 N 0.99 0.82 0.46 0.00 5.08 -1.13 -2.02 114.58 118.78 2dfu h GLU 208 Ca 0.28 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2dfu h GLU 208 Cb -0.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2dfu h GLU 208 CO -0.07 1.20 -0.22 0.82 -1.00 0.00 0.00 179.01 179.75 2dfu h ILE 209 N 0.58 0.55 -0.41 3.13 2.04 -0.16 0.42 117.51 123.66 2dfu h ILE 209 Ca -0.01 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2dfu h ILE 209 Cb 1.24 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2dfu h ILE 209 CO 0.13 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.27 2dfu h LEU 210 N -0.63 -0.05 -0.19 1.44 3.38 -1.09 -0.61 115.31 117.56 2dfu h LEU 210 Ca -0.06 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dfu h LEU 210 Cb 0.48 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2dfu h LEU 210 CO 0.10 0.01 0.06 -1.28 0.09 0.00 0.00 178.44 177.42 2dfu h SER 211 N 0.18 0.06 0.10 -0.43 0.87 -1.19 -1.09 113.55 112.06 2dfu h SER 211 Ca 0.20 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2dfu h SER 211 Cb 0.26 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2dfu h SER 211 CO -0.29 0.06 -0.15 0.22 -0.53 0.00 0.00 176.83 176.14 2dfu h TYR 212 N 0.15 -0.40 -0.58 2.24 3.20 -0.33 -2.40 116.97 118.84 2dfu h TYR 212 Ca 0.08 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.05 2dfu h TYR 212 Cb 0.06 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 2dfu h TYR 212 CO -0.12 -0.23 0.20 0.82 -1.64 0.00 0.00 178.16 177.18 2dfu h ILE 213 N -0.31 0.76 0.00 1.81 2.04 -0.94 -0.36 117.51 120.51 2dfu h ILE 213 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2dfu h ILE 213 Cb 0.32 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2dfu h ILE 213 CO -0.08 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.60 2dfu n SER 214 N -5.03 0.07 0.12 1.72 3.41 -0.43 -0.71 113.62 112.78 2dfu n SER 214 Ca 0.08 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 2dfu n SER 214 Cb 0.27 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 63.81 2dfu n SER 214 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2dfu h THR 215 N 0.00 1.47 0.00 6.66 1.35 -0.85 0.23 112.91 121.77 2dfu h THR 215 Ca 0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 2dfu h THR 215 Cb 0.00 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2dfu h THR 215 CO 0.00 0.65 -0.52 2.22 -0.25 0.00 0.00 175.52 177.62 2dfu n PHE 216 N -3.76 0.00 -3.93 4.73 -1.74 -0.90 -4.82 117.46 107.04 2dfu n PHE 216 Ca -0.01 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.60 2dfu n PHE 216 Cb 0.65 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.48 2dfu n PHE 216 CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 2dfu s MET 217 N -1.13 1.68 0.01 3.97 0.00 0.11 -5.11 119.30 118.82 2dfu s MET 217 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 55.69 55.07 2dfu s MET 217 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 34.83 33.08 2dfu s MET 217 CO 0.00 -0.26 1.36 0.99 0.00 0.00 0.00 175.02 177.10 2dfu s THR 218 N 1.67 3.76 -0.18 10.11 2.01 -1.26 -3.60 115.64 128.15 2dfu s THR 218 Ca 0.05 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.05 2dfu s THR 218 Cb -0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2dfu s THR 218 CO -0.09 0.02 0.45 -0.76 -0.69 0.00 0.00 174.62 173.55 2dfu s LEU 219 N 2.12 4.18 0.36 4.42 1.43 -0.21 -4.93 118.68 126.06 2dfu s LEU 219 Ca 0.62 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 54.28 2dfu s LEU 219 Cb -0.31 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2dfu s LEU 219 CO 0.26 -0.09 0.67 -1.61 0.23 0.00 0.00 176.35 175.82 2dfu s GLU 220 N 1.24 3.67 0.23 1.70 0.41 -1.26 -0.70 118.70 124.00 2dfu s GLU 220 Ca 0.22 0.19 -0.32 0.00 -0.41 0.00 0.00 54.97 54.66 2dfu s GLU 220 Cb -0.15 -2.51 -0.13 0.00 -1.78 0.00 0.00 34.13 29.56 2dfu s GLU 220 CO 0.09 0.05 1.49 -2.30 -0.49 0.00 0.00 175.26 174.10 2dfu n PRO 221 N -1.31 2.20 -0.98 0.39 -0.02 -1.26 -1.06 135.00 132.96 2dfu n PRO 221 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2dfu n PRO 221 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2dfu n PRO 221 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dfu n LEU 222 N 2.47 0.06 -4.76 2.45 4.77 0.27 -4.80 117.00 117.48 2dfu n LEU 222 Ca 0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 2dfu n LEU 222 Cb 0.32 -0.35 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2dfu n LEU 222 CO 0.63 -0.05 0.73 -1.81 -1.33 0.00 0.00 177.39 175.56 2dfu s ASP 223 N -2.49 4.57 -0.03 -1.43 1.01 -0.23 -2.97 116.67 115.11 2dfu s ASP 223 Ca 0.00 1.99 0.05 0.00 0.71 0.00 0.00 52.55 55.30 2dfu s ASP 223 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2dfu s ASP 223 CO 0.00 -1.99 -0.18 -0.69 0.21 0.00 0.00 175.17 172.51 2dfu s VAL 224 N -2.54 2.73 -0.08 -1.27 1.01 -1.15 -1.52 120.40 117.57 2dfu s VAL 224 Ca 0.66 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2dfu s VAL 224 Cb -0.20 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2dfu s VAL 224 CO 0.49 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 175.37 2dfu s VAL 225 N -0.73 0.95 -0.01 2.92 1.01 -0.23 -1.37 120.40 122.95 2dfu s VAL 225 Ca 0.11 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 2dfu s VAL 225 Cb -0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 2dfu s VAL 225 CO 0.01 0.33 0.49 -0.76 0.00 0.00 0.00 175.10 175.17 2dfu s LEU 226 N 1.22 4.44 -0.11 3.92 1.43 0.01 -0.57 118.68 129.02 2dfu s LEU 226 Ca -0.05 1.03 0.14 0.00 -1.03 0.00 0.00 54.13 54.23 2dfu s LEU 226 Cb -0.14 -2.73 0.61 0.00 0.03 0.00 0.00 46.19 43.96 2dfu s LEU 226 CO -0.02 0.22 1.49 0.35 0.23 0.00 0.00 176.35 178.61 2dfu n THR 227 N 2.30 1.64 0.00 5.49 -2.24 -0.94 -2.16 114.28 118.38 2dfu n THR 227 Ca -0.11 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2dfu n THR 227 Cb 0.52 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2dfu n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dfu n GLY 228 N 0.92 0.32 3.13 3.38 0.00 -1.26 -4.80 105.19 106.88 2dfu n GLY 228 Ca 0.22 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 2dfu n GLY 228 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dfu s THR 229 N -2.10 1.21 1.01 2.61 -1.32 -1.26 -4.38 115.64 111.40 2dfu s THR 229 Ca 0.00 -0.70 -0.14 0.00 -1.21 0.00 0.00 61.69 59.63 2dfu s THR 229 Cb 0.00 -1.02 0.19 0.00 -1.51 0.00 0.00 72.50 70.16 2dfu s THR 229 CO 0.00 0.30 1.14 -2.16 -2.21 0.00 0.00 174.62 171.69 2dfu s PRO 230 N -0.46 0.36 0.67 7.08 0.04 -1.26 -4.58 135.00 136.85 2dfu s PRO 230 Ca 0.06 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 2dfu s PRO 230 Cb -0.06 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2dfu s PRO 230 CO -0.00 -2.71 1.21 -1.83 0.04 0.00 0.00 177.00 173.71 2dfu s GLU 231 N -5.27 2.48 0.00 4.56 4.04 -1.26 -4.30 118.70 118.95 2dfu s GLU 231 Ca 0.67 1.79 0.00 0.00 0.04 0.00 0.00 54.97 57.46 2dfu s GLU 231 Cb -0.14 -1.87 0.00 0.00 0.02 0.00 0.00 34.13 32.14 2dfu s GLU 231 CO 0.55 -1.58 0.00 0.41 -1.84 0.00 0.00 175.26 172.80 2dfu n GLY 232 N 0.41 0.49 3.68 -3.83 0.00 -1.26 -4.31 105.19 100.37 2dfu n GLY 232 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2dfu n GLY 232 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dfu n VAL 233 N 0.00 1.43 -4.05 1.61 0.31 -1.26 -4.64 118.33 111.73 2dfu n VAL 233 Ca 0.00 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.86 2dfu n VAL 233 Cb 0.00 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.36 2dfu n VAL 233 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dfu s GLY 234 N 0.01 1.00 0.63 2.92 0.00 -1.26 -5.03 107.32 105.60 2dfu s GLY 234 Ca 0.62 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.00 2dfu s GLY 234 CO 0.55 -0.86 1.04 0.00 0.00 0.00 0.00 173.10 173.83 2dfu s ALA 235 N -3.66 2.85 0.20 3.20 0.00 -1.26 -2.35 121.76 120.73 2dfu s ALA 235 Ca 0.28 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.45 2dfu s ALA 235 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2dfu s ALA 235 CO 0.13 -0.88 -0.20 -0.51 0.00 0.00 0.00 175.76 174.30 2dfu s LEU 236 N -5.06 2.47 0.04 0.00 1.43 0.13 -4.82 118.68 112.86 2dfu s LEU 236 Ca 0.58 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2dfu s LEU 236 Cb -0.13 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 2dfu s LEU 236 CO 0.48 0.03 -0.06 -0.13 0.23 0.00 0.00 176.35 176.90 2dfu s ARG 237 N -2.92 0.48 0.15 1.70 0.52 -1.26 -4.59 118.95 113.03 2dfu s ARG 237 Ca 0.20 -0.74 -0.33 0.00 -0.52 0.00 0.00 55.73 54.34 2dfu s ARG 237 Cb -0.06 -0.17 -0.16 0.00 0.52 0.00 0.00 34.95 35.07 2dfu s ARG 237 CO 0.09 0.02 1.10 -2.30 0.02 0.00 0.00 175.30 174.23 2dfu n PRO 238 N 1.44 0.91 0.00 3.54 -0.02 -1.26 -1.65 135.00 137.95 2dfu n PRO 238 Ca -0.23 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2dfu n PRO 238 Cb 0.55 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2dfu n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfu n GLY 239 N 1.96 3.39 3.67 -1.23 0.00 0.64 -5.00 105.19 108.62 2dfu n GLY 239 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2dfu n GLY 239 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfu n ASP 240 N 0.01 2.12 -4.43 1.61 8.00 -0.66 -4.67 116.55 118.53 2dfu n ASP 240 Ca 0.00 1.07 -0.33 0.00 0.71 0.00 0.00 54.79 56.23 2dfu n ASP 240 Cb 0.00 -1.46 -0.13 0.00 -0.02 0.00 0.00 41.12 39.51 2dfu n ASP 240 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dfu s ARG 241 N -2.22 3.54 -0.00 -1.24 0.52 -1.26 -1.42 118.95 116.86 2dfu s ARG 241 Ca 0.63 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 2dfu s ARG 241 Cb -0.51 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2dfu s ARG 241 CO 0.57 0.21 -0.11 -0.51 0.02 0.00 0.00 175.30 175.48 2dfu s LEU 242 N 0.41 2.95 -0.10 2.53 1.43 0.13 -0.86 118.68 125.17 2dfu s LEU 242 Ca -0.07 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2dfu s LEU 242 Cb -0.15 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.42 2dfu s LEU 242 CO 0.04 0.29 0.05 -0.70 0.23 0.00 0.00 176.35 176.26 2dfu s GLU 243 N -1.26 0.23 -0.29 1.70 2.12 -0.54 -1.77 118.70 118.88 2dfu s GLU 243 Ca 0.15 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.58 2dfu s GLU 243 Cb -0.11 -1.16 0.06 0.00 0.26 0.00 0.00 34.13 33.18 2dfu s GLU 243 CO 0.05 -0.45 -0.03 0.08 -0.54 0.00 0.00 175.26 174.38 2dfu s VAL 244 N 2.07 2.62 -0.20 3.70 1.01 0.06 0.19 120.40 129.84 2dfu s VAL 244 Ca 0.03 -1.61 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 2dfu s VAL 244 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2dfu s VAL 244 CO -0.06 -0.15 0.09 0.00 0.00 0.00 0.00 175.10 174.98 2dfu s ALA 245 N 1.15 3.44 -0.22 5.51 0.00 0.24 0.02 121.76 131.92 2dfu s ALA 245 Ca -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2dfu s ALA 245 Cb -0.20 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.92 2dfu s ALA 245 CO -0.03 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.70 2dfu s VAL 246 N 0.64 1.97 0.03 0.00 1.01 -0.47 -0.96 120.40 122.61 2dfu s VAL 246 Ca 0.05 -1.25 -0.36 0.00 0.00 0.00 0.00 61.98 60.41 2dfu s VAL 246 Cb -0.13 -1.99 -0.16 0.00 0.00 0.00 0.00 36.38 34.11 2dfu s VAL 246 CO 0.01 0.19 1.50 -0.62 0.00 0.00 0.00 175.10 176.18 2dfu n GLU 247 N 4.56 1.45 -0.84 2.72 1.02 -0.89 -0.95 120.64 127.71 2dfu n GLU 247 Ca -0.16 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2dfu n GLU 247 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 2dfu n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dfu n GLY 248 N 3.15 1.30 0.73 0.62 0.00 -1.26 -4.68 105.19 105.06 2dfu n GLY 248 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2dfu n GLY 248 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dfu n VAL 249 N -2.00 0.04 -2.03 1.61 0.31 -0.12 -4.87 118.33 111.27 2dfu n VAL 249 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2dfu n VAL 249 Cb 0.00 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2dfu n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dfu n GLY 250 N 2.95 -1.92 3.14 2.92 0.00 -0.93 -4.76 105.19 106.60 2dfu n GLY 250 Ca -0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2dfu n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dfu s THR 251 N -2.53 2.03 -0.22 2.61 2.01 -1.26 -1.37 115.64 116.90 2dfu s THR 251 Ca 0.00 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.87 2dfu s THR 251 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2dfu s THR 251 CO 0.00 0.54 0.55 -0.22 -0.69 0.00 0.00 174.62 174.80 2dfu s LEU 252 N 1.01 4.11 -0.17 4.42 2.96 0.10 -4.30 118.68 126.81 2dfu s LEU 252 Ca -0.02 0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2dfu s LEU 252 Cb -0.15 -2.74 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 2dfu s LEU 252 CO -0.06 -0.24 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.32 2dfu s PHE 253 N 1.95 2.97 0.18 5.38 0.08 -1.26 -0.76 117.98 126.51 2dfu s PHE 253 Ca 0.24 -0.53 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 2dfu s PHE 253 Cb -0.16 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 2dfu s PHE 253 CO 0.09 -0.22 0.43 -0.08 -0.10 0.00 0.00 175.22 175.34 2dfu s THR 254 N 0.73 0.04 0.09 0.64 -1.32 -0.73 -0.72 115.64 114.37 2dfu s THR 254 Ca -0.02 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 59.34 2dfu s THR 254 Cb -0.15 -1.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.19 2dfu s THR 254 CO 0.02 -0.20 0.23 -1.48 -2.21 0.00 0.00 174.62 170.98 2dfu s LEU 255 N -2.91 1.22 -0.18 9.08 2.34 -1.26 0.17 118.68 127.15 2dfu s LEU 255 Ca 0.12 -0.54 -0.17 0.00 0.06 0.00 0.00 54.13 53.60 2dfu s LEU 255 Cb 0.01 1.18 -0.04 0.00 -0.56 0.00 0.00 46.19 46.77 2dfu s LEU 255 CO -0.02 -0.72 0.42 -0.63 -1.06 0.00 0.00 176.35 174.34 2dfu s ILE 256 N -3.63 5.19 0.64 1.48 -1.09 -0.51 -0.71 121.20 122.56 2dfu s ILE 256 Ca 0.03 0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 59.14 2dfu s ILE 256 Cb 0.03 -3.76 0.14 0.00 -1.58 0.00 0.00 42.46 37.30 2dfu s ILE 256 CO -0.10 0.27 0.86 0.61 -1.23 0.00 0.00 174.94 175.35 2dfu n GLY 257 N 3.73 -1.02 3.70 6.18 0.00 0.12 -0.26 105.19 117.64 2dfu n GLY 257 Ca -0.08 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2dfu n GLY 257 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dfu s PRO 258 N -4.85 1.69 0.21 1.61 0.02 -1.26 -3.68 135.00 128.75 2dfu s PRO 258 Ca 0.50 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 63.00 2dfu s PRO 258 Cb -0.02 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.63 2dfu s PRO 258 CO 0.35 -2.18 1.46 0.21 -0.33 0.00 0.00 177.00 176.51 2dfu s LYS 259 N -4.09 4.26 0.46 5.54 2.47 -1.26 -2.94 119.74 124.19 2dfu s LYS 259 Ca 0.74 2.29 -0.20 0.00 -1.56 0.00 0.00 55.97 57.24 2dfu s LYS 259 Cb -0.29 -3.14 -0.10 0.00 -1.46 0.00 0.00 37.83 32.84 2dfu s LYS 259 CO 0.50 -0.46 0.97 -1.21 0.16 0.00 0.00 175.35 175.31 2dfu s GLU 260 N 0.16 4.08 0.71 4.03 0.41 -0.26 -4.94 118.70 122.88 2dfu s GLU 260 Ca 0.62 1.12 0.02 0.00 -0.41 0.00 0.00 54.97 56.32 2dfu s GLU 260 Cb -0.42 -2.15 0.13 0.00 -1.78 0.00 0.00 34.13 29.91 2dfu s GLU 260 CO 0.39 -0.17 0.97 -1.21 -0.49 0.00 0.00 175.26 174.75 2dfu s GLU 261 N -3.43 1.71 0.46 1.61 2.02 -1.26 -4.32 118.70 115.48 2dfu s GLU 261 Ca 0.62 -1.34 -0.24 0.00 0.02 0.00 0.00 54.97 54.03 2dfu s GLU 261 Cb -0.10 -2.40 -0.09 0.00 0.10 0.00 0.00 34.13 31.64 2dfu s GLU 261 CO 0.19 -1.41 1.23 2.89 0.02 0.00 0.00 175.26 178.18 2dfu n ARG 262 N -2.75 1.73 -0.05 1.61 1.85 -1.26 -4.76 116.66 113.03 2dfu n ARG 262 Ca 0.17 0.62 0.23 0.00 -1.00 0.00 0.00 57.85 57.87 2dfu n ARG 262 Cb 0.61 -2.35 0.71 0.00 -1.05 0.00 0.00 32.46 30.37 2dfu n ARG 262 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2dfu h PRO 263 N 1.77 0.00 0.00 2.89 0.13 -2.01 -3.53 132.00 131.26 2dfu h PRO 263 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dfu h PRO 263 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dfu h PRO 263 CO 0.58 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.68