#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 3.82 -0.15 2.12 3.01 -1.26 -1.45 119.74 125.83 2dfu s LYS 2 Ca 0.00 0.02 -0.02 0.00 -1.01 0.00 0.00 55.97 54.96 2dfu s LYS 2 Cb 0.00 -3.73 -0.02 0.00 -1.01 0.00 0.00 37.83 33.06 2dfu s LYS 2 CO 0.00 -0.49 -0.07 0.42 0.51 0.00 0.00 175.35 175.72 2dfu s ILE 3 N 2.31 3.56 0.13 2.17 1.01 -0.08 -1.02 121.20 129.29 2dfu s ILE 3 Ca 0.19 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2dfu s ILE 3 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2dfu s ILE 3 CO 0.11 0.50 -0.06 -1.48 0.00 0.00 0.00 174.94 174.02 2dfu s LEU 4 N 0.39 2.42 -0.05 2.97 2.34 -0.05 -0.94 118.68 125.76 2dfu s LEU 4 Ca -0.06 -1.05 0.04 0.00 0.06 0.00 0.00 54.13 53.12 2dfu s LEU 4 Cb -0.15 -0.15 -0.02 0.00 -0.56 0.00 0.00 46.19 45.30 2dfu s LEU 4 CO 0.04 -0.45 -0.17 -0.13 -1.06 0.00 0.00 176.35 174.58 2dfu s ARG 5 N -3.83 2.46 0.25 1.48 0.52 -1.26 -0.70 118.95 117.87 2dfu s ARG 5 Ca 0.17 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.45 2dfu s ARG 5 Cb 0.05 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.22 2dfu s ARG 5 CO -0.01 0.60 0.63 -0.59 0.02 0.00 0.00 175.30 175.95 2dfu s PHE 6 N -0.67 -0.07 0.00 -0.53 -0.71 0.11 -1.28 117.98 114.83 2dfu s PHE 6 Ca 0.10 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 2dfu s PHE 6 Cb -0.11 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2dfu s PHE 6 CO 0.00 -1.11 0.00 0.09 -1.34 0.00 0.00 175.22 172.86 2dfu n ASN 7 N -0.42 0.00 -2.90 1.98 4.13 -0.01 -0.50 115.26 117.54 2dfu n ASN 7 Ca -0.05 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.90 2dfu n ASN 7 Cb 0.61 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.78 2dfu n ASN 7 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dfu n GLU 8 N 14.00 3.25 -2.15 3.52 4.71 -1.26 -4.55 120.64 138.16 2dfu n GLU 8 Ca 0.00 -2.04 -0.15 0.00 -0.01 0.00 0.00 57.16 54.96 2dfu n GLU 8 Cb 0.00 -2.50 -0.02 0.00 -1.01 0.00 0.00 31.44 27.91 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 2.82 0.04 3.87 0.62 0.00 -1.05 -5.00 105.19 106.49 2dfu n GLY 9 Ca 0.64 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.50 3.76 0.20 1.61 0.52 0.34 -4.81 118.95 116.06 2dfu s ARG 10 Ca 0.00 0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.96 2dfu s ARG 10 Cb 0.00 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 2dfu s ARG 10 CO 0.00 -0.28 0.01 -1.58 0.02 0.00 0.00 175.30 173.47 2dfu s TRP 11 N -2.72 2.83 0.18 -0.53 0.52 -1.26 -0.72 118.94 117.25 2dfu s TRP 11 Ca 0.54 -0.16 -0.24 0.00 0.02 0.00 0.00 56.10 56.27 2dfu s TRP 11 Cb -0.10 -1.34 0.06 0.00 -1.15 0.00 0.00 33.47 30.94 2dfu s TRP 11 CO 0.39 0.54 0.94 0.20 0.02 0.00 0.00 176.95 179.04 2dfu s GLY 12 N -3.17 -0.13 -0.03 0.98 0.00 0.12 -1.24 107.32 103.85 2dfu s GLY 12 Ca 0.29 -0.03 0.06 0.00 0.00 0.00 0.00 44.72 45.04 2dfu s GLY 12 CO 0.19 0.34 -0.22 0.14 0.00 0.00 0.00 173.10 173.55 2dfu s VAL 13 N -3.11 1.77 0.02 1.40 1.01 -0.08 -0.87 120.40 120.54 2dfu s VAL 13 Ca 0.14 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2dfu s VAL 13 Cb -0.02 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2dfu s VAL 13 CO 0.04 0.50 0.73 -0.22 0.00 0.00 0.00 175.10 176.14 2dfu s LEU 14 N -0.40 4.42 -0.44 3.92 2.96 -0.19 -1.20 118.68 127.75 2dfu s LEU 14 Ca 0.05 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.34 2dfu s LEU 14 Cb -0.10 -3.15 0.15 0.00 0.50 0.00 0.00 46.19 43.58 2dfu s LEU 14 CO 0.00 0.00 0.27 -1.61 -1.32 0.00 0.00 176.35 173.70 2dfu s GLU 15 N 0.09 1.16 5.91 1.98 0.41 0.13 -4.62 118.70 123.75 2dfu s GLU 15 Ca 0.37 -1.98 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 2dfu s GLU 15 Cb -0.20 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 2dfu s GLU 15 CO 0.21 -1.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 2dfu n GLY 16 N 3.40 1.53 0.39 -1.39 0.00 -1.26 -1.27 105.19 106.59 2dfu n GLY 16 Ca 0.14 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.64 -3.65 1.61 -0.58 -1.26 -4.98 120.64 113.42 2dfu n GLU 17 Ca 0.00 -0.90 -0.37 0.00 -0.42 0.00 0.00 57.16 55.47 2dfu n GLU 17 Cb 0.00 -1.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 2dfu n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dfu s LEU 18 N -1.76 4.36 -0.31 -4.62 0.20 -0.40 -0.48 118.68 115.67 2dfu s LEU 18 Ca 0.13 0.62 -0.09 0.00 0.69 0.00 0.00 54.13 55.49 2dfu s LEU 18 Cb 0.12 -2.33 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 2dfu s LEU 18 CO 0.32 0.27 0.13 -0.69 -0.29 0.00 0.00 176.35 176.10 2dfu s VAL 19 N -0.50 4.38 -0.37 1.68 1.01 0.15 0.20 120.40 126.93 2dfu s VAL 19 Ca 0.18 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2dfu s VAL 19 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2dfu s VAL 19 CO 0.07 0.04 0.39 -0.22 0.00 0.00 0.00 175.10 175.37 2dfu s LEU 20 N 1.57 4.63 0.30 3.92 2.96 -0.34 -1.20 118.68 130.51 2dfu s LEU 20 Ca 0.04 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 2dfu s LEU 20 Cb -0.17 -2.35 -0.10 0.00 0.50 0.00 0.00 46.19 44.06 2dfu s LEU 20 CO 0.05 -0.44 1.31 -0.70 -1.32 0.00 0.00 176.35 175.25 2dfu s GLU 21 N 2.05 4.37 0.25 1.98 2.12 -0.85 -0.90 118.70 127.72 2dfu s GLU 21 Ca 0.12 2.18 0.06 0.00 0.36 0.00 0.00 54.97 57.68 2dfu s GLU 21 Cb -0.17 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2dfu s GLU 21 CO 0.12 -0.20 -0.07 0.95 -0.54 0.00 0.00 175.26 175.52 2dfu s THR 22 N -0.78 1.55 -0.84 -1.70 -4.23 -0.37 -1.46 115.64 107.80 2dfu s THR 22 Ca 0.51 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 2dfu s THR 22 Cb -0.39 -2.30 0.13 0.00 1.34 0.00 0.00 72.50 71.28 2dfu s THR 22 CO 0.48 -0.40 1.01 -0.62 -0.54 0.00 0.00 174.62 174.55 2dfu s ASP 23 N -3.38 6.54 0.00 3.99 2.15 0.88 -4.22 116.67 122.64 2dfu s ASP 23 Ca 0.27 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2dfu s ASP 23 Cb 0.03 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2dfu s ASP 23 CO 0.10 -1.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 2dfu n GLY 24 N 5.24 -0.14 3.65 2.66 0.00 -1.26 -4.04 105.19 111.31 2dfu n GLY 24 Ca 0.15 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2dfu n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dfu s PRO 25 N -2.26 3.97 -1.70 1.61 0.02 -1.26 -1.95 135.00 133.43 2dfu s PRO 25 Ca 0.00 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2dfu s PRO 25 Cb 0.00 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.36 2dfu s PRO 25 CO 0.00 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 2dfu n GLY 26 N 4.67 1.61 0.00 0.52 0.00 -1.26 -4.99 105.19 105.73 2dfu n GLY 26 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.93 -0.28 3.76 -0.02 0.00 -0.82 -5.03 105.19 101.87 2dfu n GLY 27 Ca -0.16 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.00 5.56 0.44 1.61 0.02 -1.26 -4.39 114.94 115.92 2dfu s ASN 28 Ca 0.00 2.61 -0.24 0.00 -1.02 0.00 0.00 52.86 54.21 2dfu s ASN 28 Cb 0.00 -2.62 -0.08 0.00 0.02 0.00 0.00 41.25 38.57 2dfu s ASN 28 CO 0.00 -1.36 1.20 -2.84 0.02 0.00 0.00 177.10 174.12 2dfu s PRO 29 N -2.84 3.85 0.11 -0.60 0.02 -1.26 -0.08 135.00 134.19 2dfu s PRO 29 Ca 0.69 1.89 0.23 0.00 0.02 0.00 0.00 61.00 63.83 2dfu s PRO 29 Cb -0.36 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 2dfu s PRO 29 CO 0.43 -0.51 0.94 0.25 -0.33 0.00 0.00 177.00 177.78 2dfu n THR 30 N -0.23 0.35 0.00 0.99 -2.24 -0.54 -4.82 114.28 107.79 2dfu n THR 30 Ca 0.06 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2dfu n THR 30 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.26 2.66 3.81 3.38 0.00 -1.26 -5.08 105.19 109.97 2dfu n GLY 31 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.42 4.29 0.04 1.61 0.52 -1.26 -4.99 118.95 118.74 2dfu s ARG 32 Ca 0.00 1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 56.27 2dfu s ARG 32 Cb 0.00 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 2dfu s ARG 32 CO 0.00 0.15 -0.04 -0.98 0.02 0.00 0.00 175.30 174.46 2dfu s ARG 33 N -2.65 0.49 0.05 3.54 1.70 -1.26 -2.01 118.95 118.81 2dfu s ARG 33 Ca 0.54 -0.94 -0.07 0.00 -0.47 0.00 0.00 55.73 54.79 2dfu s ARG 33 Cb -0.13 0.11 -0.01 0.00 -0.57 0.00 0.00 34.95 34.36 2dfu s ARG 33 CO 0.18 -0.07 0.15 0.71 -1.08 0.00 0.00 175.30 175.19 2dfu s TYR 34 N -2.71 0.16 0.01 5.89 1.51 -0.34 -4.98 117.35 116.89 2dfu s TYR 34 Ca -0.03 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 2dfu s TYR 34 Cb -0.01 -0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 41.69 2dfu s TYR 34 CO -0.05 -0.44 0.69 0.34 -1.11 0.00 0.00 175.55 174.98 2dfu s ASP 35 N -2.36 7.09 0.22 2.29 2.15 -1.26 0.30 116.67 125.10 2dfu s ASP 35 Ca -0.02 1.30 -0.10 0.00 0.43 0.00 0.00 52.55 54.17 2dfu s ASP 35 Cb 0.01 -2.42 0.34 0.00 -0.30 0.00 0.00 42.92 40.54 2dfu s ASP 35 CO -0.06 0.03 1.66 0.25 -0.17 0.00 0.00 175.17 176.87 2dfu h LEU 36 N 5.82 -0.28 -2.84 -1.34 5.85 -1.12 -1.39 115.31 120.00 2dfu h LEU 36 Ca -0.44 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2dfu h LEU 36 Cb 1.20 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2dfu h LEU 36 CO 0.71 -0.13 -0.00 0.00 -0.34 0.00 0.00 178.44 178.68 2dfu h ALA 37 N 1.60 1.03 -0.02 1.25 0.00 -1.94 -2.66 119.26 118.52 2dfu h ALA 37 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dfu h ALA 37 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2dfu h ALA 37 CO -0.56 0.00 -0.40 -1.13 0.00 0.00 0.00 179.25 177.16 2dfu n SER 38 N -3.12 2.12 -4.94 0.00 3.41 -0.53 -4.96 113.62 105.61 2dfu n SER 38 Ca -0.03 -1.56 -0.25 0.00 -0.26 0.00 0.00 58.87 56.78 2dfu n SER 38 Cb 0.09 0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.41 5.13 -0.44 -3.33 -7.23 -1.01 -5.01 120.40 106.10 2dfu s VAL 39 Ca 0.20 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.79 2dfu s VAL 39 Cb 0.18 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.34 2dfu s VAL 39 CO 0.53 -0.42 0.45 -0.89 -0.31 0.00 0.00 175.10 174.46 2dfu s THR 40 N -2.16 5.09 0.34 5.32 2.01 -1.26 -4.95 115.64 120.03 2dfu s THR 40 Ca 0.40 -0.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2dfu s THR 40 Cb -0.10 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 2dfu s THR 40 CO 0.33 -0.49 1.21 -0.22 -0.69 0.00 0.00 174.62 174.77 2dfu s LEU 41 N 2.12 4.40 0.31 4.42 2.96 -1.26 -0.83 118.68 130.80 2dfu s LEU 41 Ca 0.11 2.49 0.07 0.00 -0.22 0.00 0.00 54.13 56.57 2dfu s LEU 41 Cb -0.18 -3.74 -0.06 0.00 0.50 0.00 0.00 46.19 42.70 2dfu s LEU 41 CO 0.12 -0.47 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.89 2dfu s LEU 42 N -1.89 2.52 0.34 -0.68 1.43 -0.40 -4.42 118.68 115.58 2dfu s LEU 42 Ca 0.50 -1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 2dfu s LEU 42 Cb -0.35 -0.69 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 2dfu s LEU 42 CO 0.46 -0.38 1.55 -2.65 0.23 0.00 0.00 176.35 175.56 2dfu n PRO 43 N -0.69 2.72 -0.77 1.29 -0.02 -1.26 -4.42 135.00 131.85 2dfu n PRO 43 Ca -0.05 0.96 -0.08 0.00 -2.02 0.00 0.00 63.50 62.31 2dfu n PRO 43 Cb 0.64 -2.73 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 2dfu n PRO 43 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2dfu n PRO 44 N 1.27 1.54 -3.61 0.52 -0.04 -1.26 -4.65 135.00 128.77 2dfu n PRO 44 Ca 0.05 -0.69 -0.02 0.00 -0.04 0.00 0.00 63.50 62.79 2dfu n PRO 44 Cb 0.38 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 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 1.10 -2.06 -0.40 0.55 0.00 -1.26 -4.85 121.76 114.84 2dfu s ALA 45 Ca 0.46 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.52 2dfu s ALA 45 Cb 0.22 0.21 0.24 0.00 0.00 0.00 0.00 23.12 23.79 2dfu s ALA 45 CO 0.00 -0.83 0.51 0.25 0.00 0.00 0.00 175.76 175.69 2dfu n THR 46 N -0.30 -0.74 -2.18 0.00 -2.24 -1.26 -5.12 114.28 102.43 2dfu n THR 46 Ca -0.05 -3.84 -0.36 0.00 -2.27 0.00 0.00 64.05 57.54 2dfu n THR 46 Cb 0.61 -1.79 0.01 0.00 -2.10 0.00 0.00 70.33 67.05 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 -0.94 3.30 0.23 -0.78 0.04 -1.13 -4.76 135.00 130.96 2dfu s PRO 47 Ca 0.35 1.71 0.23 0.00 0.04 0.00 0.00 61.00 63.32 2dfu s PRO 47 Cb 0.15 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.74 2dfu s PRO 47 CO -0.13 -0.91 1.17 1.79 0.04 0.00 0.00 177.00 178.96 2dfu h THR 48 N 1.21 0.00 -2.41 1.26 1.35 -1.87 -3.46 112.91 109.00 2dfu h THR 48 Ca -0.50 -0.94 0.10 0.00 -0.55 0.00 0.00 66.41 64.51 2dfu h THR 48 Cb 1.27 1.53 -0.14 0.00 -1.73 0.00 0.00 68.15 69.09 2dfu h THR 48 CO 0.57 0.00 0.45 -1.59 -0.25 0.00 0.00 175.52 174.69 2dfu s LYS 49 N -3.32 0.96 -0.16 4.72 -2.85 -1.26 -4.87 119.74 112.96 2dfu s LYS 49 Ca 0.01 -0.39 -0.00 0.00 -1.00 0.00 0.00 55.97 54.60 2dfu s LYS 49 Cb 0.09 0.42 0.03 0.00 -2.06 0.00 0.00 37.83 36.31 2dfu s LYS 49 CO 0.76 -0.42 -0.09 0.42 0.10 0.00 0.00 175.35 176.12 2dfu s ILE 50 N -3.25 1.31 -0.19 3.79 1.01 -1.15 -2.80 121.20 119.91 2dfu s ILE 50 Ca 0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2dfu s ILE 50 Cb -0.01 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2dfu s ILE 50 CO -0.08 0.26 0.03 -0.69 0.00 0.00 0.00 174.94 174.46 2dfu s VAL 51 N 1.57 4.32 -0.02 2.92 1.01 -0.27 -1.79 120.40 128.14 2dfu s VAL 51 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2dfu s VAL 51 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2dfu s VAL 51 CO -0.09 0.43 -0.25 0.00 0.00 0.00 0.00 175.10 175.20 2dfu s VAL 53 N -0.63 5.26 -0.06 0.00 1.01 -0.62 -1.04 120.40 124.32 2dfu s VAL 53 Ca 0.10 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2dfu s VAL 53 Cb -0.10 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2dfu s VAL 53 CO -0.01 0.54 -0.10 -0.83 0.00 0.00 0.00 175.10 174.70 2dfu s GLY 54 N -0.62 1.62 -0.28 4.51 0.00 0.34 -3.49 107.32 109.40 2dfu s GLY 54 Ca 0.19 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 2dfu s GLY 54 CO 0.08 -0.71 0.13 -2.13 0.00 0.00 0.00 173.10 170.46 2dfu n ARG 55 N 2.25 -2.64 -0.06 2.90 3.00 -1.26 -4.27 116.66 116.58 2dfu n ARG 55 Ca -0.18 2.24 0.01 0.00 -0.00 0.00 0.00 57.85 59.92 2dfu n ARG 55 Cb 0.53 -4.43 0.01 0.00 0.00 0.00 0.00 32.46 28.57 2dfu n ARG 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2dfu n ASN 56 N 0.61 0.87 -2.39 6.15 5.15 -1.26 -4.82 115.26 119.57 2dfu n ASN 56 Ca 0.01 -1.62 -0.20 0.00 -0.60 0.00 0.00 54.58 52.18 2dfu n ASN 56 Cb 0.21 -0.06 0.02 0.00 -0.53 0.00 0.00 39.78 39.42 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 -0.29 2.57 0.00 1.20 4.02 -1.26 0.51 117.16 123.91 2dfu n TYR 57 Ca 0.01 -2.61 0.00 0.00 -0.01 0.00 0.00 57.90 55.29 2dfu n TYR 57 Cb 0.45 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 2dfu n TYR 57 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2dfu n GLU 75 N -0.52 0.00 -2.49 -0.72 0.28 -1.26 -4.96 120.64 110.97 2dfu n GLU 75 Ca 0.32 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.00 2dfu n GLU 75 Cb 0.81 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.65 2dfu n GLU 75 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2dfu s PRO 76 N 0.00 3.90 -0.35 3.44 0.02 -1.26 -5.01 135.00 135.74 2dfu s PRO 76 Ca 0.00 1.12 -0.28 0.00 0.02 0.00 0.00 61.00 61.86 2dfu s PRO 76 Cb 0.00 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.42 2dfu s PRO 76 CO 0.00 -0.32 1.06 0.20 -0.33 0.00 0.00 177.00 177.61 2dfu s GLY 77 N -2.56 1.52 0.13 0.52 0.00 -1.26 -4.98 107.32 100.70 2dfu s GLY 77 Ca 0.62 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.21 2dfu s GLY 77 CO 0.25 2.25 0.12 1.08 0.00 0.00 0.00 173.10 176.80 2dfu s LEU 78 N 3.73 3.83 0.10 0.66 1.43 -1.26 -0.51 118.68 126.66 2dfu s LEU 78 Ca 0.45 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2dfu s LEU 78 Cb -0.11 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2dfu s LEU 78 CO 0.18 0.11 0.24 0.72 0.23 0.00 0.00 176.35 177.83 2dfu s PHE 79 N -1.61 0.06 0.19 0.29 -0.71 -0.21 -4.95 117.98 111.04 2dfu s PHE 79 Ca 0.30 -0.47 0.09 0.00 -1.04 0.00 0.00 56.93 55.82 2dfu s PHE 79 Cb -0.11 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2dfu s PHE 79 CO 0.23 -0.58 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.95 2dfu s LEU 80 N -2.85 3.08 -0.00 -1.99 1.43 -1.26 -0.44 118.68 116.65 2dfu s LEU 80 Ca 0.04 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2dfu s LEU 80 Cb 0.04 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2dfu s LEU 80 CO -0.11 0.09 -0.11 -0.54 0.23 0.00 0.00 176.35 175.90 2dfu s LYS 81 N -2.97 0.87 0.51 1.70 1.02 -0.74 -4.65 119.74 115.48 2dfu s LYS 81 Ca 0.26 -0.44 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 2dfu s LYS 81 Cb -0.09 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 2dfu s LYS 81 CO 0.17 0.23 0.85 0.20 -0.92 0.00 0.00 175.35 175.87 2dfu s GLY 82 N -0.39 1.60 0.65 -3.33 0.00 -1.26 -2.95 107.32 101.64 2dfu s GLY 82 Ca 0.03 -0.35 0.43 0.00 0.00 0.00 0.00 44.72 44.84 2dfu s GLY 82 CO -0.00 -0.16 2.32 -2.55 0.00 0.00 0.00 173.10 172.72 2dfu h PRO 83 N 0.24 0.00 0.00 2.90 0.11 -1.89 -1.01 132.00 132.35 2dfu h PRO 83 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2dfu h PRO 83 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dfu h PRO 83 CO 0.62 0.00 -0.03 -2.95 -0.21 0.00 0.00 178.00 175.43 2dfu h ASN 84 N 0.00 0.00 0.84 -2.05 -1.07 -1.92 -1.92 115.58 109.47 2dfu h ASN 84 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2dfu h ASN 84 Cb 0.04 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.28 2dfu h ASN 84 CO 0.00 0.03 -0.10 0.00 0.07 0.00 0.00 177.43 177.43 2dfu h ALA 85 N 1.97 1.05 -2.73 4.14 0.00 -1.37 -2.89 119.26 119.44 2dfu h ALA 85 Ca -0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 2dfu h ALA 85 Cb 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 17.97 2dfu h ALA 85 CO 0.00 0.12 0.82 1.28 0.00 0.00 0.00 179.25 181.47 2dfu n LEU 86 N -3.27 4.23 -4.02 0.00 4.77 -0.72 0.10 117.00 118.08 2dfu n LEU 86 Ca -0.00 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.96 2dfu n LEU 86 Cb 0.33 -1.57 -0.14 0.00 -2.33 0.00 0.00 43.42 39.70 2dfu n LEU 86 CO 0.29 0.05 -0.43 0.00 -1.33 0.00 0.00 177.39 175.98 2dfu s ALA 87 N -0.20 0.70 0.30 -1.18 0.00 -0.79 -4.39 121.76 116.21 2dfu s ALA 87 Ca 0.63 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2dfu s ALA 87 Cb -0.51 -0.14 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 2dfu s ALA 87 CO 0.51 0.15 1.54 1.03 0.00 0.00 0.00 175.76 178.99 2dfu s ARG 88 N -0.44 4.15 0.57 0.00 0.52 -1.26 -2.46 118.95 120.02 2dfu s ARG 88 Ca 0.01 2.52 -0.14 0.00 -0.52 0.00 0.00 55.73 57.61 2dfu s ARG 88 Cb -0.04 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 2dfu s ARG 88 CO -0.00 -0.57 1.01 -1.25 0.02 0.00 0.00 175.30 174.51 2dfu s PRO 89 N -0.80 3.75 0.30 3.54 0.04 -1.25 -2.35 135.00 138.24 2dfu s PRO 89 Ca 0.60 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 2dfu s PRO 89 Cb -0.46 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 2dfu s PRO 89 CO 0.50 -0.44 1.04 0.20 0.04 0.00 0.00 177.00 178.34 2dfu s GLY 90 N -3.63 2.97 0.03 0.56 0.00 0.30 -4.42 107.32 103.14 2dfu s GLY 90 Ca 0.57 0.76 -0.30 0.00 0.00 0.00 0.00 44.72 45.74 2dfu s GLY 90 CO 0.43 1.30 1.55 0.21 0.00 0.00 0.00 173.10 176.59 2dfu s ASN 91 N -1.18 6.71 0.54 1.64 3.84 -1.26 -4.53 114.94 120.70 2dfu s ASN 91 Ca 0.48 2.32 0.23 0.00 0.21 0.00 0.00 52.86 56.09 2dfu s ASN 91 Cb -0.27 -2.56 1.23 0.00 -0.55 0.00 0.00 41.25 39.09 2dfu s ASN 91 CO 0.34 -0.82 1.65 -0.65 -2.79 0.00 0.00 177.10 174.84 2dfu h PRO 92 N 8.19 0.00 -0.01 0.43 0.11 -1.93 0.10 132.00 138.89 2dfu h PRO 92 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2dfu h PRO 92 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dfu h PRO 92 CO 0.92 0.00 -0.33 0.54 -0.21 0.00 0.00 178.00 178.92 2dfu n ARG 93 N -2.57 1.22 -2.70 1.05 5.12 -1.26 -4.55 116.66 112.97 2dfu n ARG 93 Ca -0.02 -0.92 -0.06 0.00 -1.93 0.00 0.00 57.85 54.93 2dfu n ARG 93 Cb 0.39 -1.48 0.09 0.00 -1.16 0.00 0.00 32.46 30.29 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 -0.09 -1.83 -0.04 0.55 2.03 -0.10 -5.04 116.55 112.03 2dfu n ASP 94 Ca 0.11 -2.59 -0.08 0.00 0.52 0.00 0.00 54.79 52.75 2dfu n ASP 94 Cb 0.43 1.38 -0.02 0.00 -0.72 0.00 0.00 41.12 42.20 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 2.92 -0.14 -0.34 -0.67 0.13 -1.13 -3.14 132.00 129.63 2dfu h PRO 95 Ca -0.21 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 2dfu h PRO 95 Cb 1.15 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2dfu h PRO 95 CO 0.05 -0.09 -0.30 -1.49 -0.23 0.00 0.00 178.00 175.93 2dfu h TRP 96 N -0.15 0.83 -0.01 1.56 -0.00 -1.95 -1.74 115.95 114.49 2dfu h TRP 96 Ca 0.12 -0.21 0.00 0.00 -0.00 0.00 0.00 58.89 58.80 2dfu h TRP 96 Cb 0.33 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 2dfu h TRP 96 CO -0.30 0.93 0.00 0.41 -0.00 0.00 0.00 178.44 179.48 2dfu n GLY 97 N -0.13 -0.54 0.00 1.49 0.00 -1.23 -4.21 105.19 100.57 2dfu n GLY 97 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.46 0.00 -1.72 2.61 -2.24 -1.18 -5.05 114.28 106.24 2dfu n THR 98 Ca 0.21 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.57 2dfu n THR 98 Cb 0.22 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.55 1.72 -2.64 6.98 0.00 -0.66 -4.77 120.51 119.59 2dfu n ALA 99 Ca 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2dfu n ALA 99 Cb 0.31 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 -1.68 4.13 0.42 0.00 2.12 -0.99 -4.90 118.70 117.80 2dfu s GLU 100 Ca 0.57 1.07 -0.26 0.00 0.36 0.00 0.00 54.97 56.71 2dfu s GLU 100 Cb -0.54 -3.69 -0.09 0.00 0.26 0.00 0.00 34.13 30.07 2dfu s GLU 100 CO 0.60 -0.72 1.39 -2.14 -0.54 0.00 0.00 175.26 173.85 2dfu s PRO 101 N 3.28 3.86 -0.56 4.30 0.02 -1.26 -4.60 135.00 140.03 2dfu s PRO 101 Ca 0.41 2.35 -0.19 0.00 0.02 0.00 0.00 61.00 63.59 2dfu s PRO 101 Cb -0.14 -2.75 0.08 0.00 0.02 0.00 0.00 34.50 31.72 2dfu s PRO 101 CO 0.11 -0.65 0.68 0.08 -0.33 0.00 0.00 177.00 176.88 2dfu s VAL 102 N -1.21 4.83 0.07 3.83 1.01 0.05 -4.77 120.40 124.22 2dfu s VAL 102 Ca 0.58 -0.78 -0.32 0.00 0.00 0.00 0.00 61.98 61.46 2dfu s VAL 102 Cb -0.42 -4.41 -0.12 0.00 0.00 0.00 0.00 36.38 31.43 2dfu s VAL 102 CO 0.55 -1.00 1.80 -2.65 0.00 0.00 0.00 175.10 173.80 2dfu n PRO 103 N 6.29 2.50 -1.92 2.72 -0.02 -1.26 -0.67 135.00 142.65 2dfu n PRO 103 Ca -0.08 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 2dfu n PRO 103 Cb 0.44 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 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 2.81 1.68 0.64 6.00 6.14 -1.16 -4.85 117.35 128.62 2dfu s TYR 104 Ca 0.85 0.57 -0.17 0.00 0.64 0.00 0.00 57.07 58.95 2dfu s TYR 104 Cb -0.57 -4.08 -0.05 0.00 0.42 0.00 0.00 41.96 37.68 2dfu s TYR 104 CO 0.41 -3.26 0.76 -2.30 0.64 0.00 0.00 175.55 171.80 2dfu n PRO 105 N 8.42 0.59 0.12 4.97 -0.02 -1.26 -0.86 135.00 146.96 2dfu n PRO 105 Ca 0.24 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2dfu n PRO 105 Cb 0.46 -1.98 0.17 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.09 0.00 -0.01 6.00 3.57 -1.87 -3.31 116.94 121.41 2dfu h PHE 106 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2dfu h PHE 106 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2dfu h PHE 106 CO 0.35 0.00 -0.03 1.97 -2.23 0.00 0.00 178.31 178.37 2dfu n PHE 107 N -2.55 0.00 -4.31 0.41 1.16 -1.26 -4.93 117.46 105.98 2dfu n PHE 107 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.45 2dfu n PHE 107 Cb 0.49 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.24 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 -2.08 0.53 0.00 1.97 -1.32 -1.25 -4.83 115.64 108.66 2dfu s THR 108 Ca 0.37 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 2dfu s THR 108 Cb 0.21 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 2dfu s THR 108 CO 0.37 0.00 0.19 -0.62 -2.21 0.00 0.00 174.62 172.35 2dfu n GLU 109 N -0.46 0.00 -3.36 7.08 1.02 -1.26 -4.86 120.64 118.80 2dfu n GLU 109 Ca 0.00 -0.19 -0.26 0.00 -0.02 0.00 0.00 57.16 56.69 2dfu n GLU 109 Cb 0.66 -0.32 -0.08 0.00 -0.02 0.00 0.00 31.44 31.68 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 0.00 1.23 -3.32 3.49 4.07 -1.26 -5.06 120.64 119.79 2dfu n GLU 110 Ca 0.00 -3.74 -0.38 0.00 -0.06 0.00 0.00 57.16 52.98 2dfu n GLU 110 Cb 0.40 -1.69 -0.07 0.00 -0.06 0.00 0.00 31.44 30.03 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 -1.34 4.19 0.19 4.31 2.96 -1.26 -0.89 118.68 126.83 2dfu s LEU 111 Ca 0.35 0.66 0.09 0.00 -0.22 0.00 0.00 54.13 55.01 2dfu s LEU 111 Cb 0.12 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2dfu s LEU 111 CO -0.11 -0.09 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.73 2dfu s HIS 112 N 1.23 2.60 0.21 5.38 3.76 0.33 0.26 115.29 129.06 2dfu s HIS 112 Ca 0.23 -0.24 0.10 0.00 -0.15 0.00 0.00 55.06 55.00 2dfu s HIS 112 Cb -0.15 -1.26 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 2dfu s HIS 112 CO 0.09 0.52 -0.10 1.52 -0.85 0.00 0.00 174.74 175.92 2dfu s TYR 113 N -1.76 2.58 -0.26 1.40 -0.85 -1.18 -0.53 117.35 116.74 2dfu s TYR 113 Ca 0.25 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.53 2dfu s TYR 113 Cb -0.08 -1.22 0.15 0.00 0.38 0.00 0.00 41.96 41.18 2dfu s TYR 113 CO 0.15 0.55 0.48 -1.21 -1.52 0.00 0.00 175.55 174.00 2dfu s GLU 114 N -3.05 0.44 0.12 -3.49 2.02 -1.20 -4.35 118.70 109.19 2dfu s GLU 114 Ca 0.26 0.79 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 2dfu s GLU 114 Cb -0.08 0.03 -0.06 0.00 0.10 0.00 0.00 34.13 34.12 2dfu s GLU 114 CO 0.16 -0.59 0.97 0.20 0.02 0.00 0.00 175.26 176.02 2dfu s GLY 115 N 2.69 2.99 0.04 -1.39 0.00 -1.26 -0.41 107.32 109.98 2dfu s GLY 115 Ca 0.14 0.60 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 2dfu s GLY 115 CO -0.18 1.47 0.20 -0.54 0.00 0.00 0.00 173.10 174.06 2dfu s GLU 116 N -0.06 0.71 -0.03 2.90 2.02 0.49 -4.35 118.70 120.38 2dfu s GLU 116 Ca 0.47 -0.63 -0.26 0.00 0.02 0.00 0.00 54.97 54.57 2dfu s GLU 116 Cb -0.24 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 2dfu s GLU 116 CO 0.30 -0.21 0.80 -1.17 0.02 0.00 0.00 175.26 175.00 2dfu s LEU 117 N -2.12 4.35 0.06 1.80 2.96 -1.26 -1.15 118.68 123.33 2dfu s LEU 117 Ca -0.05 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.29 2dfu s LEU 117 Cb -0.01 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 2dfu s LEU 117 CO -0.04 -0.14 -0.09 0.00 -1.32 0.00 0.00 176.35 174.76 2dfu s ALA 118 N 0.75 2.97 -0.10 5.97 0.00 0.65 -2.52 121.76 129.48 2dfu s ALA 118 Ca 0.42 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2dfu s ALA 118 Cb -0.19 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2dfu s ALA 118 CO 0.22 0.63 -0.19 0.08 0.00 0.00 0.00 175.76 176.50 2dfu s VAL 119 N -1.11 2.53 -0.29 0.00 1.01 0.26 -0.88 120.40 121.92 2dfu s VAL 119 Ca 0.19 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2dfu s VAL 119 Cb -0.11 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.27 2dfu s VAL 119 CO 0.11 0.55 0.07 -0.69 0.00 0.00 0.00 175.10 175.14 2dfu s VAL 120 N 0.18 3.96 0.37 2.92 1.01 -0.62 -0.65 120.40 127.57 2dfu s VAL 120 Ca -0.11 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 2dfu s VAL 120 Cb -0.16 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 2dfu s VAL 120 CO 0.06 0.11 1.35 -0.69 0.00 0.00 0.00 175.10 175.93 2dfu s VAL 121 N 1.50 2.51 -0.22 2.92 1.01 -0.63 -1.00 120.40 126.50 2dfu s VAL 121 Ca 0.03 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2dfu s VAL 121 Cb -0.17 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 2dfu s VAL 121 CO 0.02 0.10 -0.27 0.61 0.00 0.00 0.00 175.10 175.57 2dfu n GLY 122 N 0.67 -0.35 3.45 4.51 0.00 0.28 -0.34 105.19 113.41 2dfu n GLY 122 Ca 0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.79 3.72 0.21 1.61 1.01 -0.52 -4.56 116.67 111.36 2dfu s ASP 123 Ca -0.31 -0.51 -0.31 0.00 0.71 0.00 0.00 52.55 52.13 2dfu s ASP 123 Cb 0.11 -0.52 -0.15 0.00 1.01 0.00 0.00 42.92 43.37 2dfu s ASP 123 CO 0.42 0.23 1.15 -1.14 0.21 0.00 0.00 175.17 176.03 2dfu n ARG 124 N 1.28 1.32 -3.98 8.23 0.63 -1.26 -4.67 116.66 118.21 2dfu n ARG 124 Ca -0.16 0.47 -0.30 0.00 -0.92 0.00 0.00 57.85 56.93 2dfu n ARG 124 Cb 0.52 -1.95 -0.16 0.00 0.45 0.00 0.00 32.46 31.33 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 -0.71 1.96 -0.06 -0.14 -1.94 0.55 -4.97 119.30 114.00 2dfu s MET 125 Ca 0.68 -0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 53.85 2dfu s MET 125 Cb -0.78 -2.36 0.04 0.00 2.01 0.00 0.00 34.83 33.74 2dfu s MET 125 CO 0.54 -0.42 0.10 0.50 -0.01 0.00 0.00 175.02 175.73 2dfu s ARG 126 N 1.43 -0.03 -1.23 2.03 3.52 -1.26 -1.24 118.95 122.17 2dfu s ARG 126 Ca -0.01 0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 55.99 2dfu s ARG 126 Cb -0.16 -0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 32.80 2dfu s ARG 126 CO -0.08 -0.32 0.76 0.72 -0.81 0.00 0.00 175.30 175.57 2dfu n HIS 127 N 5.31 -2.01 -3.73 5.12 8.25 0.82 -4.97 115.22 124.01 2dfu n HIS 127 Ca -0.04 0.76 -0.36 0.00 -0.26 0.00 0.00 57.72 57.83 2dfu n HIS 127 Cb 0.50 -4.18 -0.10 0.00 1.12 0.00 0.00 29.99 27.33 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 -3.57 5.15 0.62 1.59 1.01 -1.26 -5.02 120.40 118.91 2dfu s VAL 128 Ca 0.17 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2dfu s VAL 128 Cb -0.04 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2dfu s VAL 128 CO 0.81 0.37 1.11 -2.16 0.00 0.00 0.00 175.10 175.22 2dfu s PRO 129 N 0.98 3.03 0.29 2.72 0.04 -1.26 -4.37 135.00 136.43 2dfu s PRO 129 Ca 0.07 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2dfu s PRO 129 Cb -0.13 -1.98 0.69 0.00 0.04 0.00 0.00 34.50 33.12 2dfu s PRO 129 CO 0.04 -1.08 1.75 -1.00 0.04 0.00 0.00 177.00 176.75 2dfu h PRO 130 N 0.44 0.62 0.00 0.56 0.13 -1.93 -1.50 132.00 130.32 2dfu h PRO 130 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2dfu h PRO 130 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dfu h PRO 130 CO 0.55 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.12 2dfu n GLU 131 N -4.86 0.05 0.00 0.86 4.71 -1.26 -2.00 120.64 118.14 2dfu n GLU 131 Ca 0.22 0.40 0.03 0.00 -0.01 0.00 0.00 57.16 57.80 2dfu n GLU 131 Cb 0.56 -1.63 0.02 0.00 -1.01 0.00 0.00 31.44 29.38 2dfu n GLU 131 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2dfu n LYS 132 N -1.73 0.98 0.14 3.49 5.02 -0.60 -4.78 118.16 120.68 2dfu n LYS 132 Ca 0.02 -0.72 -0.13 0.00 -2.02 0.00 0.00 58.31 55.46 2dfu n LYS 132 Cb 0.11 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.22 -0.35 0.00 7.82 0.00 -1.06 -3.00 119.26 123.90 2dfu h ALA 133 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dfu h ALA 133 Cb 0.25 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dfu h ALA 133 CO 0.00 -0.72 -0.00 -0.07 0.00 0.00 0.00 179.25 178.46 2dfu h LEU 134 N -0.38 0.00 -0.97 0.00 3.38 -1.87 -0.38 115.31 115.09 2dfu h LEU 134 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dfu h LEU 134 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dfu h LEU 134 CO -0.02 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.73 2dfu h ASP 135 N 0.00 0.00 0.02 -0.43 3.58 -1.87 -2.29 116.42 115.43 2dfu h ASP 135 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dfu h ASP 135 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2dfu h ASP 135 CO 0.00 0.00 -0.09 1.41 -2.88 0.00 0.00 179.24 177.68 2dfu n HIS 136 N -2.55 0.00 -2.91 0.28 8.25 -0.15 -4.87 115.22 113.27 2dfu n HIS 136 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 2dfu n HIS 136 Cb 0.26 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.12 4.95 -0.01 1.59 1.01 -0.86 0.99 120.40 125.95 2dfu s VAL 137 Ca 0.31 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 2dfu s VAL 137 Cb 0.20 -4.15 -0.25 0.00 0.00 0.00 0.00 36.38 32.19 2dfu s VAL 137 CO 0.38 0.17 1.06 0.25 0.00 0.00 0.00 175.10 176.96 2dfu h LEU 138 N 7.18 0.50 0.00 3.92 5.85 -1.28 -3.42 115.31 128.07 2dfu h LEU 138 Ca -0.38 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 57.55 2dfu h LEU 138 Cb 1.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2dfu h LEU 138 CO 0.78 1.23 0.00 0.61 -0.34 0.00 0.00 178.44 180.72 2dfu n GLY 139 N 1.16 -1.30 3.34 3.75 0.00 -1.16 -4.45 105.19 106.53 2dfu n GLY 139 Ca -0.11 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.24 2.24 0.10 1.61 1.51 0.42 -1.58 117.35 119.40 2dfu s TYR 140 Ca 0.00 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2dfu s TYR 140 Cb 0.00 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2dfu s TYR 140 CO 0.00 0.17 0.08 -2.37 -1.11 0.00 0.00 175.55 172.32 2dfu n THR 141 N 1.57 0.00 -4.25 -0.71 5.66 -0.06 0.44 114.28 116.93 2dfu n THR 141 Ca -0.17 -0.70 -0.28 0.00 -3.05 0.00 0.00 64.05 59.84 2dfu n THR 141 Cb 0.52 0.35 -0.09 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.39 3.32 0.02 1.08 1.01 -0.88 -0.25 120.40 122.31 2dfu s VAL 142 Ca 0.12 -1.44 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 2dfu s VAL 142 Cb 0.01 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2dfu s VAL 142 CO 0.08 0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.34 2dfu s ALA 143 N -1.45 -0.31 -0.24 5.51 0.00 -0.30 -1.43 121.76 123.54 2dfu s ALA 143 Ca 0.23 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2dfu s ALA 143 Cb -0.10 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2dfu s ALA 143 CO 0.15 -0.29 -0.11 0.08 0.00 0.00 0.00 175.76 175.58 2dfu s VAL 144 N -2.09 2.39 -0.89 0.00 1.01 -0.96 -0.38 120.40 119.48 2dfu s VAL 144 Ca -0.09 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.42 2dfu s VAL 144 Cb -0.04 -2.25 0.12 0.00 0.00 0.00 0.00 36.38 34.21 2dfu s VAL 144 CO -0.02 0.18 1.11 -0.62 0.00 0.00 0.00 175.10 175.76 2dfu s ASP 145 N 1.22 6.54 0.09 3.32 2.15 0.45 -3.58 116.67 126.86 2dfu s ASP 145 Ca -0.03 -1.83 -0.31 0.00 0.43 0.00 0.00 52.55 50.81 2dfu s ASP 145 Cb -0.17 -2.41 -0.07 0.00 -0.30 0.00 0.00 42.92 39.97 2dfu s ASP 145 CO -0.07 -1.15 1.31 -0.63 -0.17 0.00 0.00 175.17 174.47 2dfu s ILE 146 N 3.05 3.59 -0.06 4.11 -1.09 -0.94 -3.21 121.20 126.64 2dfu s ILE 146 Ca 0.31 1.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.89 2dfu s ILE 146 Cb -0.07 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2dfu s ILE 146 CO -0.06 0.09 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.76 2dfu s THR 147 N 1.08 0.90 -0.81 2.92 2.01 0.31 -4.58 115.64 117.47 2dfu s THR 147 Ca 0.62 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2dfu s THR 147 Cb -0.34 -0.86 0.18 0.00 0.01 0.00 0.00 72.50 71.49 2dfu s THR 147 CO 0.30 0.31 0.84 0.00 -0.69 0.00 0.00 174.62 175.38 2dfu s ALA 148 N 0.81 3.79 0.33 7.40 0.00 -0.01 0.12 121.76 134.20 2dfu s ALA 148 Ca -0.12 -3.00 0.05 0.00 0.00 0.00 0.00 51.96 48.88 2dfu s ALA 148 Cb -0.15 -3.65 0.69 0.00 0.00 0.00 0.00 23.12 20.01 2dfu s ALA 148 CO 0.02 -2.46 1.88 0.00 0.00 0.00 0.00 175.76 175.20 2dfu h ARG 149 N 8.29 0.81 0.18 0.00 2.47 -1.32 -2.31 114.38 122.50 2dfu h ARG 149 Ca 0.05 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2dfu h ARG 149 Cb 1.04 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2dfu h ARG 149 CO 0.90 0.54 -0.08 0.38 0.56 0.00 0.00 179.97 182.27 2dfu h ASP 150 N 0.84 -0.20 0.53 7.04 3.04 -1.92 -2.93 116.42 122.81 2dfu h ASP 150 Ca 0.43 -0.21 -0.05 0.00 -3.24 0.00 0.00 57.03 53.96 2dfu h ASP 150 Cb 0.51 0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 38.84 2dfu h ASP 150 CO -0.19 0.11 -0.23 -0.37 -2.04 0.00 0.00 179.24 176.52 2dfu h VAL 151 N -0.52 0.76 -0.02 4.15 -1.51 -1.87 -2.12 116.25 115.12 2dfu h VAL 151 Ca -0.02 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2dfu h VAL 151 Cb 0.40 1.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2dfu h VAL 151 CO 0.04 0.22 0.02 -0.61 -1.23 0.00 0.00 177.57 176.01 2dfu h GLN 152 N 0.00 0.00 0.00 5.19 4.15 -1.23 -0.49 115.11 122.73 2dfu h GLN 152 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 2dfu h GLN 152 Cb 0.55 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 2dfu h GLN 152 CO 0.03 0.00 -1.74 1.63 -1.93 0.00 0.00 178.83 176.82 2dfu n LYS 153 N -3.89 0.64 -0.06 1.69 5.02 -0.80 -4.53 118.16 116.21 2dfu n LYS 153 Ca -0.03 0.29 -0.07 0.00 -2.02 0.00 0.00 58.31 56.48 2dfu n LYS 153 Cb 0.10 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.18 2dfu n LYS 153 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dfu n LYS 154 N -3.05 0.67 -1.17 1.97 2.85 -0.91 -5.00 118.16 113.51 2dfu n LYS 154 Ca -0.18 0.07 -0.31 0.00 -1.05 0.00 0.00 58.31 56.85 2dfu n LYS 154 Cb 1.06 -1.61 0.11 0.00 -0.65 0.00 0.00 35.03 33.94 2dfu n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dfu s ASP 155 N -5.59 3.99 0.15 -5.58 1.11 -0.24 -4.96 116.67 105.55 2dfu s ASP 155 Ca -0.08 1.76 -0.15 0.00 0.18 0.00 0.00 52.55 54.26 2dfu s ASP 155 Cb 0.07 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.66 2dfu s ASP 155 CO 0.83 -2.35 1.73 0.25 1.18 0.00 0.00 175.17 176.82 2dfu h LEU 156 N -1.35 0.58 -8.30 1.23 5.85 -1.94 -3.45 115.31 107.92 2dfu h LEU 156 Ca -0.45 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.00 2dfu h LEU 156 Cb 1.25 -0.15 -0.14 0.00 0.37 0.00 0.00 40.66 42.00 2dfu h LEU 156 CO 0.51 0.53 -0.50 -1.10 -0.34 0.00 0.00 178.44 177.54 2dfu s GLN 157 N -5.75 1.05 0.00 1.25 -1.52 -1.26 -5.05 119.66 108.38 2dfu s GLN 157 Ca -0.13 -1.34 0.00 0.00 -1.95 0.00 0.00 55.36 51.94 2dfu s GLN 157 Cb 0.11 0.30 0.00 0.00 -0.22 0.00 0.00 33.01 33.20 2dfu s GLN 157 CO 0.75 -0.34 1.04 0.91 -0.25 0.00 0.00 175.29 177.39 2dfu n TRP 158 N -0.16 0.00 0.49 0.91 8.01 -1.26 -4.48 117.44 120.94 2dfu n TRP 158 Ca -0.06 -0.52 -0.19 0.00 -1.31 0.00 0.00 57.50 55.43 2dfu n TRP 158 Cb 0.63 -0.31 -0.09 0.00 -2.01 0.00 0.00 31.31 29.54 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 0.76 0.00 0.00 -0.99 2.07 -1.96 -1.14 116.25 114.98 2dfu h VAL 159 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dfu h VAL 159 Cb 0.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2dfu h VAL 159 CO 0.00 0.00 -0.11 0.08 0.02 0.00 0.00 177.57 177.56 2dfu h ARG 160 N -1.24 0.00 -0.20 1.57 0.11 -1.89 0.35 114.38 113.07 2dfu h ARG 160 Ca -0.13 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.80 2dfu h ARG 160 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2dfu h ARG 160 CO 0.21 0.00 -0.50 0.00 0.10 0.00 0.00 179.97 179.78 2dfu h ALA 161 N 2.26 0.76 0.00 0.08 0.00 -1.81 -3.35 119.26 117.20 2dfu h ALA 161 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2dfu h ALA 161 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dfu h ALA 161 CO 0.00 0.67 -0.98 1.63 0.00 0.00 0.00 179.25 180.57 2dfu n LYS 162 N -3.98 0.91 -0.65 0.00 4.76 -0.44 -0.83 118.16 117.93 2dfu n LYS 162 Ca -0.03 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.42 2dfu n LYS 162 Cb 0.57 -0.99 0.21 0.00 -1.84 0.00 0.00 35.03 32.99 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 -1.58 2.88 -4.82 4.39 2.88 0.12 -4.80 113.62 112.69 2dfu n SER 163 Ca 0.00 -3.51 -0.31 0.00 -1.33 0.00 0.00 58.87 53.72 2dfu n SER 163 Cb 0.10 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 63.01 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 -3.10 2.72 0.33 -1.46 0.00 -1.23 -4.58 121.76 114.43 2dfu s ALA 164 Ca 0.43 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 2dfu s ALA 164 Cb 0.38 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 2dfu s ALA 164 CO 0.03 -1.12 0.84 -0.25 0.00 0.00 0.00 175.76 175.26 2dfu n ASP 165 N -2.94 0.48 -0.90 0.00 8.00 -1.26 -1.66 116.55 118.27 2dfu n ASP 165 Ca 0.08 1.09 -0.12 0.00 0.71 0.00 0.00 54.79 56.55 2dfu n ASP 165 Cb 0.53 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 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 0.64 -1.69 0.00 -1.24 4.76 -1.09 -4.85 118.16 114.68 2dfu n LYS 166 Ca 0.11 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.46 2dfu n LYS 166 Cb 0.34 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 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 -2.20 0.00 -3.23 2.13 3.01 -0.57 -4.30 117.46 112.30 2dfu n PHE 167 Ca -0.12 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.11 2dfu n PHE 167 Cb 0.60 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.45 -0.46 -4.74 4.37 7.94 0.28 -2.22 117.00 121.72 2dfu n LEU 168 Ca 0.00 -4.39 -0.41 0.00 -1.11 0.00 0.00 56.01 50.09 2dfu n LEU 168 Cb 0.02 0.62 -0.02 0.00 0.53 0.00 0.00 43.42 44.57 2dfu n LEU 168 CO 0.00 1.97 1.16 -2.84 -1.11 0.00 0.00 177.39 176.57 2dfu s PRO 169 N -0.46 4.22 -0.03 1.96 0.02 -1.23 -1.88 135.00 137.60 2dfu s PRO 169 Ca 0.34 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.74 2dfu s PRO 169 Cb 0.11 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.57 2dfu s PRO 169 CO -0.15 -0.50 0.07 -1.17 -0.33 0.00 0.00 177.00 174.92 2dfu s LEU 170 N -0.30 1.10 0.00 -5.54 2.96 -1.03 -2.28 118.68 113.59 2dfu s LEU 170 Ca 0.61 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2dfu s LEU 170 Cb -0.44 0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.36 2dfu s LEU 170 CO 0.44 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 2dfu n GLY 171 N 3.98 0.06 0.13 7.98 0.00 -0.52 -3.95 105.19 112.89 2dfu n GLY 171 Ca -0.25 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.44 1.61 0.13 -1.85 -2.34 132.00 127.11 2dfu h PRO 172 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 2dfu h PRO 172 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2dfu h PRO 172 CO 0.00 0.00 0.51 1.67 -0.23 0.00 0.00 178.00 179.95 2dfu s TRP 173 N -3.15 -0.04 0.02 1.56 -2.14 -1.26 -4.74 118.94 109.19 2dfu s TRP 173 Ca 0.09 -0.32 0.02 0.00 2.66 0.00 0.00 56.10 58.56 2dfu s TRP 173 Cb 0.11 0.67 -0.04 0.00 -3.10 0.00 0.00 33.47 31.11 2dfu s TRP 173 CO 0.60 -0.91 0.01 -0.48 -2.66 0.00 0.00 176.95 173.51 2dfu s LEU 174 N -3.10 3.55 -0.20 -4.66 0.05 -0.11 -4.37 118.68 109.84 2dfu s LEU 174 Ca 0.16 -0.03 -0.08 0.00 0.05 0.00 0.00 54.13 54.23 2dfu s LEU 174 Cb -0.02 -2.10 -0.04 0.00 -2.05 0.00 0.00 46.19 41.98 2dfu s LEU 174 CO 0.04 0.25 0.08 -0.70 -0.55 0.00 0.00 176.35 175.47 2dfu s GLU 175 N -1.76 3.97 0.15 1.48 2.56 0.17 -0.90 118.70 124.38 2dfu s GLU 175 Ca 0.22 -0.34 0.11 0.00 0.00 0.00 0.00 54.97 54.96 2dfu s GLU 175 Cb -0.12 -3.28 -0.11 0.00 2.00 0.00 0.00 34.13 32.62 2dfu s GLU 175 CO 0.13 0.20 1.24 1.79 -0.56 0.00 0.00 175.26 178.06 2dfu h THR 176 N 4.94 1.25 -3.62 -1.70 1.35 -1.47 0.12 112.91 113.78 2dfu h THR 176 Ca -0.37 -2.83 -0.70 0.00 -0.55 0.00 0.00 66.41 61.96 2dfu h THR 176 Cb 1.17 2.60 -0.31 0.00 -1.73 0.00 0.00 68.15 69.88 2dfu h THR 176 CO 0.69 0.71 -0.59 -0.62 -0.25 0.00 0.00 175.52 175.46 2dfu s ASP 177 N -6.49 5.26 0.02 5.36 2.15 -1.26 -4.76 116.67 116.95 2dfu s ASP 177 Ca 0.01 -1.42 -0.27 0.00 0.43 0.00 0.00 52.55 51.29 2dfu s ASP 177 Cb 0.09 -1.84 0.09 0.00 -0.30 0.00 0.00 42.92 40.95 2dfu s ASP 177 CO 0.79 -0.39 0.76 -0.22 -0.17 0.00 0.00 175.17 175.94 2dfu s LEU 178 N 1.32 -0.50 -0.52 -1.34 2.96 -1.26 -4.79 118.68 114.54 2dfu s LEU 178 Ca 0.00 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 2dfu s LEU 178 Cb -0.21 2.32 0.13 0.00 0.50 0.00 0.00 46.19 48.93 2dfu s LEU 178 CO 0.00 -0.70 0.39 0.21 -1.32 0.00 0.00 176.35 174.93 2dfu s ASN 179 N -2.10 5.73 0.62 3.68 3.84 -1.26 -4.96 114.94 120.50 2dfu s ASN 179 Ca -0.01 -2.11 0.32 0.00 0.21 0.00 0.00 52.86 51.27 2dfu s ASN 179 Cb -0.01 -2.01 1.75 0.00 -0.55 0.00 0.00 41.25 40.43 2dfu s ASN 179 CO -0.05 -0.64 2.06 1.55 -2.79 0.00 0.00 177.10 177.24 2dfu h PRO 180 N 8.20 0.00 -0.42 0.43 0.13 -2.00 -1.10 132.00 137.24 2dfu h PRO 180 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2dfu h PRO 180 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dfu h PRO 180 CO 0.83 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.64 2dfu n GLN 181 N -3.42 2.10 -3.17 0.86 1.13 -1.26 -4.42 117.38 109.21 2dfu n GLN 181 Ca 0.01 -1.70 -0.18 0.00 -1.94 0.00 0.00 57.00 53.19 2dfu n GLN 181 Cb 0.35 -1.40 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 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 0.89 0.64 -4.03 1.08 2.03 -0.42 -2.11 116.55 114.63 2dfu n ASP 182 Ca 0.17 -3.04 -0.10 0.00 0.52 0.00 0.00 54.79 52.34 2dfu n ASP 182 Cb 0.42 -0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 40.26 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 -2.25 0.07 -0.02 5.18 -1.32 -1.26 -4.87 115.64 111.17 2dfu s THR 183 Ca 0.39 -1.57 0.04 0.00 -1.21 0.00 0.00 61.69 59.34 2dfu s THR 183 Cb 0.34 -1.97 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 2dfu s THR 183 CO -0.08 -0.30 -0.14 0.26 -2.21 0.00 0.00 174.62 172.15 2dfu s TRP 184 N -4.01 2.69 -0.16 9.09 0.52 -1.26 -0.99 118.94 124.82 2dfu s TRP 184 Ca 0.21 -0.16 -0.00 0.00 0.02 0.00 0.00 56.10 56.16 2dfu s TRP 184 Cb 0.04 -1.59 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 2dfu s TRP 184 CO 0.02 0.23 -0.14 0.08 0.02 0.00 0.00 176.95 177.15 2dfu s VAL 185 N -0.81 2.74 -0.03 4.03 1.01 -0.24 -1.97 120.40 125.14 2dfu s VAL 185 Ca 0.13 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2dfu s VAL 185 Cb -0.11 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2dfu s VAL 185 CO 0.03 0.51 -0.08 -0.13 0.00 0.00 0.00 175.10 175.42 2dfu s ARG 186 N 0.83 0.97 -0.26 2.72 0.52 -0.14 -1.31 118.95 122.28 2dfu s ARG 186 Ca -0.05 -0.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2dfu s ARG 186 Cb -0.15 -0.90 0.03 0.00 0.52 0.00 0.00 34.95 34.45 2dfu s ARG 186 CO -0.00 0.06 -0.05 0.99 0.02 0.00 0.00 175.30 176.32 2dfu s THR 187 N 0.38 2.89 -0.14 0.02 2.01 -0.28 -0.41 115.64 120.10 2dfu s THR 187 Ca -0.06 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2dfu s THR 187 Cb -0.10 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2dfu s THR 187 CO 0.01 0.15 0.03 -0.31 -0.69 0.00 0.00 174.62 173.81 2dfu s TYR 188 N 1.31 3.21 -0.15 4.92 1.51 0.18 0.14 117.35 128.48 2dfu s TYR 188 Ca -0.01 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2dfu s TYR 188 Cb -0.17 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2dfu s TYR 188 CO -0.04 0.26 -0.19 0.08 -1.11 0.00 0.00 175.55 174.55 2dfu s VAL 189 N -0.13 2.25 -1.37 0.71 1.01 -0.07 -0.94 120.40 121.86 2dfu s VAL 189 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2dfu s VAL 189 Cb -0.12 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2dfu s VAL 189 CO 0.02 0.53 0.53 0.59 0.00 0.00 0.00 175.10 176.77 2dfu n ASN 190 N 4.21 -0.65 0.00 3.32 3.02 -0.92 -1.54 115.26 122.69 2dfu n ASN 190 Ca -0.20 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2dfu n ASN 190 Cb 0.51 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 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 -1.81 0.61 3.04 7.41 0.00 -1.26 -5.01 105.19 108.17 2dfu n GLY 191 Ca -0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2dfu n GLY 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfu s THR 192 N -2.71 1.30 0.22 2.61 -4.23 -0.59 -5.10 115.64 107.14 2dfu s THR 192 Ca 0.00 -0.55 -0.32 0.00 -1.18 0.00 0.00 61.69 59.64 2dfu s THR 192 Cb 0.00 -1.19 -0.13 0.00 1.34 0.00 0.00 72.50 72.53 2dfu s THR 192 CO 0.00 0.40 1.58 -0.11 -0.54 0.00 0.00 174.62 175.94 2dfu n LEU 193 N 3.96 3.57 0.00 4.79 7.94 -1.26 -0.89 117.00 135.11 2dfu n LEU 193 Ca -0.21 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 2dfu n LEU 193 Cb 0.52 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2dfu n LEU 193 CO 0.25 -0.13 -0.43 0.54 -1.11 0.00 0.00 177.39 176.51 2dfu n ARG 194 N 2.98 2.30 -3.92 1.96 5.12 0.12 -4.87 116.66 120.35 2dfu n ARG 194 Ca 0.14 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.95 2dfu n ARG 194 Cb 0.32 -0.93 -0.12 0.00 -1.16 0.00 0.00 32.46 30.58 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 -1.80 0.23 -0.27 5.56 -0.21 -1.02 -4.49 119.66 117.66 2dfu s GLN 195 Ca 0.00 -0.34 -0.13 0.00 0.02 0.00 0.00 55.36 54.91 2dfu s GLN 195 Cb 0.00 0.09 0.10 0.00 1.00 0.00 0.00 33.01 34.19 2dfu s GLN 195 CO 0.00 -0.04 0.63 -2.00 -2.12 0.00 0.00 175.29 171.76 2dfu s GLU 196 N -0.90 0.61 -0.02 2.91 2.12 -1.25 -1.12 118.70 121.04 2dfu s GLU 196 Ca -0.10 1.26 -0.14 0.00 0.36 0.00 0.00 54.97 56.36 2dfu s GLU 196 Cb -0.06 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.76 2dfu s GLU 196 CO -0.00 -0.18 0.29 0.20 -0.54 0.00 0.00 175.26 175.03 2dfu s GLY 197 N 2.14 -0.14 -0.29 -1.50 0.00 -0.43 -4.84 107.32 102.27 2dfu s GLY 197 Ca -0.08 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 2dfu s GLY 197 CO -0.18 0.13 0.18 -1.58 0.00 0.00 0.00 173.10 171.65 2dfu s HIS 198 N -1.19 3.20 0.26 1.90 2.46 -1.26 -1.07 115.29 119.58 2dfu s HIS 198 Ca -0.12 -0.12 0.22 0.00 0.47 0.00 0.00 55.06 55.51 2dfu s HIS 198 Cb -0.05 -2.38 1.21 0.00 -0.13 0.00 0.00 32.58 31.23 2dfu s HIS 198 CO 0.04 -0.27 1.64 1.79 -2.47 0.00 0.00 174.74 175.46 2dfu h THR 199 N 5.46 0.00 0.00 0.89 1.35 -1.33 0.14 112.91 119.42 2dfu h THR 199 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2dfu h THR 199 Cb 1.17 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2dfu h THR 199 CO 0.58 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 2dfu n SER 200 N -2.44 0.00 -1.15 5.36 3.41 -0.90 -1.76 113.62 116.13 2dfu n SER 200 Ca -0.01 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 2dfu n SER 200 Cb 0.29 -0.46 0.28 0.00 -0.26 0.00 0.00 64.21 64.06 2dfu n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dfu n GLN 201 N -1.46 2.46 -2.03 4.33 1.13 0.48 -4.95 117.38 117.34 2dfu n GLN 201 Ca 0.03 -2.24 -0.41 0.00 -1.94 0.00 0.00 57.00 52.44 2dfu n GLN 201 Cb 0.13 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.18 4.28 0.17 -1.09 -1.94 -0.72 -4.56 119.30 114.26 2dfu s MET 202 Ca 0.42 2.30 -0.10 0.00 -1.71 0.00 0.00 55.69 56.59 2dfu s MET 202 Cb 0.22 -3.08 0.06 0.00 2.01 0.00 0.00 34.83 34.03 2dfu s MET 202 CO 0.28 -0.35 1.64 0.82 -0.01 0.00 0.00 175.02 177.41 2dfu h ILE 203 N 3.29 1.26 -3.27 2.53 2.04 -0.30 -3.41 117.51 119.65 2dfu h ILE 203 Ca -0.48 -1.07 -0.62 0.00 1.00 0.00 0.00 64.86 63.69 2dfu h ILE 203 Cb 1.22 0.81 -0.34 0.00 -0.74 0.00 0.00 36.82 37.78 2dfu h ILE 203 CO 0.72 0.39 -0.85 -0.36 0.00 0.00 0.00 178.15 178.04 2dfu s PHE 204 N -5.10 2.22 0.90 1.37 0.08 -1.26 -5.12 117.98 111.07 2dfu s PHE 204 Ca -0.12 -1.03 -0.11 0.00 0.12 0.00 0.00 56.93 55.78 2dfu s PHE 204 Cb 0.13 -1.55 0.13 0.00 -0.57 0.00 0.00 43.02 41.16 2dfu s PHE 204 CO 0.84 -0.49 1.09 -1.54 -0.10 0.00 0.00 175.22 175.02 2dfu s SER 205 N 0.80 3.44 0.21 1.36 1.04 -1.26 -4.76 113.70 114.53 2dfu s SER 205 Ca -0.09 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 57.80 2dfu s SER 205 Cb -0.16 -2.23 0.24 0.00 0.10 0.00 0.00 66.02 63.97 2dfu s SER 205 CO 0.01 -2.67 1.81 0.58 0.98 0.00 0.00 173.24 173.94 2dfu h VAL 206 N -1.57 0.96 -0.49 5.02 2.07 -1.96 0.11 116.25 120.39 2dfu h VAL 206 Ca -0.49 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2dfu h VAL 206 Cb 1.28 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2dfu h VAL 206 CO 0.53 0.12 0.21 0.00 0.02 0.00 0.00 177.57 178.46 2dfu h ALA 207 N 1.35 0.61 -0.20 1.67 0.00 -1.91 -1.16 119.26 119.61 2dfu h ALA 207 Ca 0.30 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 2dfu h ALA 207 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dfu h ALA 207 CO -0.19 -0.16 -0.32 0.93 0.00 0.00 0.00 179.25 179.52 2dfu h GLU 208 N 0.42 0.41 0.16 0.00 5.08 -1.66 -2.19 114.58 116.80 2dfu h GLU 208 Ca 0.22 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2dfu h GLU 208 Cb 0.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dfu h GLU 208 CO -0.19 0.69 -0.08 0.82 -1.00 0.00 0.00 179.01 179.25 2dfu h ILE 209 N 0.35 0.96 -0.53 3.13 2.04 -0.35 -0.67 117.51 122.45 2dfu h ILE 209 Ca 0.04 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2dfu h ILE 209 Cb 0.74 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2dfu h ILE 209 CO 0.06 0.13 0.30 -0.07 0.00 0.00 0.00 178.15 178.57 2dfu h LEU 210 N -0.49 0.66 -0.10 1.44 3.38 -1.23 -1.26 115.31 117.72 2dfu h LEU 210 Ca -0.02 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2dfu h LEU 210 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2dfu h LEU 210 CO 0.04 0.55 -0.03 -1.28 0.09 0.00 0.00 178.44 177.81 2dfu h SER 211 N 0.71 -0.10 -0.13 -0.43 0.87 -1.40 -0.54 113.55 112.54 2dfu h SER 211 Ca 0.19 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2dfu h SER 211 Cb 0.04 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2dfu h SER 211 CO -0.03 -0.04 -0.06 0.22 -0.53 0.00 0.00 176.83 176.39 2dfu h TYR 212 N -0.01 -0.13 -0.58 2.24 3.20 -0.81 -2.37 116.97 118.51 2dfu h TYR 212 Ca 0.05 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2dfu h TYR 212 Cb 0.08 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 2dfu h TYR 212 CO -0.15 -0.09 0.30 0.82 -1.64 0.00 0.00 178.16 177.39 2dfu h ILE 213 N -0.04 0.94 0.00 1.81 2.04 -0.97 -2.04 117.51 119.25 2dfu h ILE 213 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2dfu h ILE 213 Cb 0.15 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2dfu h ILE 213 CO -0.16 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.55 2dfu n SER 214 N -4.86 0.37 0.17 1.72 3.41 -0.23 -0.65 113.62 113.55 2dfu n SER 214 Ca 0.06 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 2dfu n SER 214 Cb 0.16 -0.71 0.45 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.00 0.00 6.66 1.35 -1.15 0.23 112.91 120.00 2dfu h THR 215 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2dfu h THR 215 Cb 0.05 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2dfu h THR 215 CO 0.00 0.00 0.00 2.22 -0.25 0.00 0.00 175.52 177.49 2dfu n PHE 216 N -2.60 0.00 -3.86 4.73 1.16 -0.91 -4.87 117.46 111.11 2dfu n PHE 216 Ca 0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.35 2dfu n PHE 216 Cb 0.36 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.06 2dfu n PHE 216 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2dfu s MET 217 N 0.00 1.21 -0.04 3.97 0.00 0.17 -5.11 119.30 119.50 2dfu s MET 217 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 55.69 55.19 2dfu s MET 217 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 34.83 33.28 2dfu s MET 217 CO 0.00 -0.32 1.33 0.99 0.00 0.00 0.00 175.02 177.02 2dfu s THR 218 N 1.78 3.94 -0.13 10.11 2.01 -1.26 -3.53 115.64 128.56 2dfu s THR 218 Ca 0.04 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.15 2dfu s THR 218 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2dfu s THR 218 CO -0.07 -0.02 0.44 -0.76 -0.69 0.00 0.00 174.62 173.52 2dfu s LEU 219 N 2.52 4.26 0.31 4.42 1.43 -0.37 -4.92 118.68 126.32 2dfu s LEU 219 Ca 0.61 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2dfu s LEU 219 Cb -0.28 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2dfu s LEU 219 CO 0.24 0.01 0.54 -1.61 0.23 0.00 0.00 176.35 175.76 2dfu s GLU 220 N 0.63 3.56 0.28 1.70 0.41 -1.26 -0.33 118.70 123.69 2dfu s GLU 220 Ca 0.24 -0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 54.35 2dfu s GLU 220 Cb -0.15 -2.66 -0.13 0.00 -1.78 0.00 0.00 34.13 29.41 2dfu s GLU 220 CO 0.09 0.20 1.32 -2.30 -0.49 0.00 0.00 175.26 174.07 2dfu n PRO 221 N -1.26 1.95 -0.91 0.39 -0.02 -1.26 -1.21 135.00 132.68 2dfu n PRO 221 Ca -0.03 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2dfu n PRO 221 Cb 0.55 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.59 0.28 -4.74 2.45 4.77 0.54 -4.79 117.00 117.10 2dfu n LEU 222 Ca 0.09 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.76 2dfu n LEU 222 Cb 0.33 -0.67 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2dfu n LEU 222 CO 0.62 -0.19 0.69 -1.81 -1.33 0.00 0.00 177.39 175.37 2dfu s ASP 223 N -2.44 4.04 -0.03 -1.43 1.01 -0.35 -2.82 116.67 114.64 2dfu s ASP 223 Ca 0.00 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.24 2dfu s ASP 223 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2dfu s ASP 223 CO 0.00 -2.35 -0.23 -0.69 0.21 0.00 0.00 175.17 172.11 2dfu s VAL 224 N -2.84 2.30 -0.11 -1.27 1.01 -1.12 -1.60 120.40 116.78 2dfu s VAL 224 Ca 0.63 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2dfu s VAL 224 Cb -0.19 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2dfu s VAL 224 CO 0.57 0.58 -0.10 -0.69 0.00 0.00 0.00 175.10 175.45 2dfu s VAL 225 N -0.64 1.18 -0.02 2.92 1.01 0.18 -1.11 120.40 123.91 2dfu s VAL 225 Ca 0.10 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2dfu s VAL 225 Cb -0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2dfu s VAL 225 CO -0.01 0.39 0.50 -0.76 0.00 0.00 0.00 175.10 175.22 2dfu s LEU 226 N 1.35 4.41 0.00 3.92 1.43 -0.07 -0.58 118.68 129.14 2dfu s LEU 226 Ca -0.01 1.03 0.20 0.00 -1.03 0.00 0.00 54.13 54.31 2dfu s LEU 226 Cb -0.14 -2.76 0.54 0.00 0.03 0.00 0.00 46.19 43.86 2dfu s LEU 226 CO -0.05 0.17 1.45 0.35 0.23 0.00 0.00 176.35 178.50 2dfu n THR 227 N 2.55 0.73 0.00 5.49 -2.24 -1.05 -1.59 114.28 118.18 2dfu n THR 227 Ca -0.10 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2dfu n THR 227 Cb 0.51 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.45 2.14 3.26 3.38 0.00 -1.23 -4.73 105.19 109.47 2dfu n GLY 228 Ca 0.20 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.54 1.69 0.84 2.61 -1.32 -1.26 -4.43 115.64 111.22 2dfu s THR 229 Ca 0.00 -1.30 -0.12 0.00 -1.21 0.00 0.00 61.69 59.06 2dfu s THR 229 Cb 0.00 -1.49 0.09 0.00 -1.51 0.00 0.00 72.50 69.60 2dfu s THR 229 CO 0.00 0.13 1.11 -2.84 -2.21 0.00 0.00 174.62 170.81 2dfu s PRO 230 N -1.39 1.75 0.68 7.08 0.02 -1.26 -4.52 135.00 137.36 2dfu s PRO 230 Ca 0.07 0.53 -0.11 0.00 0.02 0.00 0.00 61.00 61.51 2dfu s PRO 230 Cb -0.09 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.54 2dfu s PRO 230 CO 0.02 -1.83 1.07 -2.00 -0.33 0.00 0.00 177.00 173.94 2dfu s GLU 231 N -5.19 3.09 0.00 5.54 2.56 -1.26 -4.44 118.70 119.00 2dfu s GLU 231 Ca 0.62 0.61 0.00 0.00 0.00 0.00 0.00 54.97 56.20 2dfu s GLU 231 Cb -0.15 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 33.95 2dfu s GLU 231 CO 0.54 -0.91 0.00 0.41 -0.56 0.00 0.00 175.26 174.74 2dfu n GLY 232 N -2.78 1.05 3.55 -1.50 0.00 -1.26 -4.42 105.19 99.83 2dfu n GLY 232 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.07 -3.06 1.61 0.31 -1.26 -4.71 118.33 111.15 2dfu n VAL 233 Ca 0.00 -0.72 -0.19 0.00 -0.01 0.00 0.00 64.34 63.43 2dfu n VAL 233 Cb 0.00 -2.54 0.04 0.00 -0.91 0.00 0.00 33.84 30.43 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 11.80 1.85 0.57 2.92 0.00 -1.26 -4.95 107.32 118.25 2dfu s GLY 234 Ca 1.01 -1.93 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 2dfu s GLY 234 CO 0.26 -1.62 0.91 0.00 0.00 0.00 0.00 173.10 172.66 2dfu s ALA 235 N -2.54 3.24 0.22 3.20 0.00 -1.26 -3.13 121.76 121.49 2dfu s ALA 235 Ca 0.58 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.23 2dfu s ALA 235 Cb -0.07 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2dfu s ALA 235 CO 0.36 -0.63 -0.16 -0.51 0.00 0.00 0.00 175.76 174.81 2dfu s LEU 236 N -4.99 2.71 0.03 0.00 1.43 0.14 -4.87 118.68 113.14 2dfu s LEU 236 Ca 0.52 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2dfu s LEU 236 Cb -0.11 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2dfu s LEU 236 CO 0.48 0.08 -0.07 -0.13 0.23 0.00 0.00 176.35 176.95 2dfu s ARG 237 N -3.02 0.48 0.26 1.70 1.81 -1.26 -4.61 118.95 114.32 2dfu s ARG 237 Ca 0.25 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 2dfu s ARG 237 Cb -0.07 -0.25 -0.14 0.00 -0.45 0.00 0.00 34.95 34.04 2dfu s ARG 237 CO 0.14 0.04 1.20 -2.30 -0.68 0.00 0.00 175.30 173.69 2dfu n PRO 238 N 1.64 1.63 0.00 3.54 -0.02 -1.26 -1.76 135.00 138.77 2dfu n PRO 238 Ca -0.22 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2dfu n PRO 238 Cb 0.55 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.56 1.21 3.77 -1.23 0.00 -0.33 -4.99 105.19 105.17 2dfu n GLY 239 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2dfu n GLY 239 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dfu s ASP 240 N -2.69 6.43 -0.23 1.61 1.01 -0.72 -4.74 116.67 117.33 2dfu s ASP 240 Ca 0.00 2.73 -0.05 0.00 0.71 0.00 0.00 52.55 55.95 2dfu s ASP 240 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 2dfu s ASP 240 CO 0.00 -0.78 -0.01 -0.13 0.21 0.00 0.00 175.17 174.46 2dfu s ARG 241 N -2.10 3.39 0.02 8.23 0.52 -1.26 -1.20 118.95 126.54 2dfu s ARG 241 Ca 0.54 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2dfu s ARG 241 Cb -0.40 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2dfu s ARG 241 CO 0.52 -0.22 0.14 -0.51 0.02 0.00 0.00 175.30 175.25 2dfu s LEU 242 N 1.50 4.13 -0.18 2.53 1.43 -0.12 -2.17 118.68 125.81 2dfu s LEU 242 Ca 0.05 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2dfu s LEU 242 Cb -0.15 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.60 2dfu s LEU 242 CO -0.02 0.24 0.18 -0.70 0.23 0.00 0.00 176.35 176.28 2dfu s GLU 243 N -2.04 0.13 -0.31 1.70 2.12 -0.12 -2.31 118.70 117.87 2dfu s GLU 243 Ca 0.28 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 2dfu s GLU 243 Cb -0.12 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 33.03 2dfu s GLU 243 CO 0.19 -0.62 0.05 0.08 -0.54 0.00 0.00 175.26 174.42 2dfu s VAL 244 N 2.27 3.41 -0.17 3.70 1.01 -0.32 0.51 120.40 130.81 2dfu s VAL 244 Ca 0.05 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 2dfu s VAL 244 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2dfu s VAL 244 CO -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 175.10 174.94 2dfu s ALA 245 N 1.34 3.37 -0.15 5.51 0.00 0.45 -0.21 121.76 132.07 2dfu s ALA 245 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2dfu s ALA 245 Cb -0.19 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.11 2dfu s ALA 245 CO 0.01 0.24 -0.13 0.08 0.00 0.00 0.00 175.76 175.96 2dfu s VAL 246 N 0.20 1.51 0.10 0.00 1.01 -0.30 -0.97 120.40 121.96 2dfu s VAL 246 Ca 0.03 -0.64 -0.35 0.00 0.00 0.00 0.00 61.98 61.03 2dfu s VAL 246 Cb -0.12 -1.45 -0.14 0.00 0.00 0.00 0.00 36.38 34.66 2dfu s VAL 246 CO 0.01 0.41 1.56 -0.62 0.00 0.00 0.00 175.10 176.46 2dfu n GLU 247 N 4.78 1.89 -0.30 2.72 1.02 -0.83 -1.47 120.64 128.45 2dfu n GLU 247 Ca -0.16 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2dfu n GLU 247 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 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 3.34 2.39 0.54 0.62 0.00 -1.26 -4.68 105.19 106.13 2dfu n GLY 248 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.30 -3.26 1.61 0.31 -0.54 -4.89 118.33 109.85 2dfu n VAL 249 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2dfu n VAL 249 Cb 0.00 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 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 2.55 -1.57 3.10 2.92 0.00 -0.76 -4.75 105.19 106.67 2dfu n GLY 250 Ca -0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.85 1.75 -0.23 2.61 2.01 -1.26 -1.15 115.64 116.52 2dfu s THR 251 Ca 0.00 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 2dfu s THR 251 Cb 0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2dfu s THR 251 CO 0.00 0.49 0.49 -0.22 -0.69 0.00 0.00 174.62 174.69 2dfu s LEU 252 N 0.99 4.09 -0.15 4.42 2.96 0.71 -4.23 118.68 127.47 2dfu s LEU 252 Ca -0.05 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2dfu s LEU 252 Cb -0.15 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2dfu s LEU 252 CO -0.03 -0.22 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.35 2dfu s PHE 253 N 1.95 2.94 0.27 5.38 0.08 -1.26 -1.18 117.98 126.16 2dfu s PHE 253 Ca 0.21 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 2dfu s PHE 253 Cb -0.15 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 2dfu s PHE 253 CO 0.09 -0.16 0.51 -0.08 -0.10 0.00 0.00 175.22 175.49 2dfu s THR 254 N 0.49 0.00 0.11 0.64 -1.32 -0.98 -0.54 115.64 114.04 2dfu s THR 254 Ca -0.06 -1.38 -0.14 0.00 -1.21 0.00 0.00 61.69 58.90 2dfu s THR 254 Cb -0.15 -2.29 0.03 0.00 -1.51 0.00 0.00 72.50 68.57 2dfu s THR 254 CO 0.03 0.00 0.35 -1.48 -2.21 0.00 0.00 174.62 171.32 2dfu s LEU 255 N -3.04 0.64 -0.09 9.08 2.34 -1.26 -0.94 118.68 125.41 2dfu s LEU 255 Ca 0.22 -0.36 -0.15 0.00 0.06 0.00 0.00 54.13 53.90 2dfu s LEU 255 Cb -0.01 1.64 -0.05 0.00 -0.56 0.00 0.00 46.19 47.21 2dfu s LEU 255 CO 0.11 -0.80 0.39 -0.63 -1.06 0.00 0.00 176.35 174.36 2dfu s ILE 256 N -3.66 5.17 0.67 1.48 -1.09 -0.34 -0.77 121.20 122.66 2dfu s ILE 256 Ca 0.02 0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 59.18 2dfu s ILE 256 Cb 0.02 -3.72 0.14 0.00 -1.58 0.00 0.00 42.46 37.33 2dfu s ILE 256 CO -0.11 0.44 0.92 0.61 -1.23 0.00 0.00 174.94 175.58 2dfu n GLY 257 N 2.73 0.03 3.70 6.18 0.00 0.16 -1.18 105.19 116.81 2dfu n GLY 257 Ca -0.11 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 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 -4.90 1.49 0.19 1.61 0.02 -1.26 -3.52 135.00 128.63 2dfu s PRO 258 Ca 0.58 1.58 -0.31 0.00 0.02 0.00 0.00 61.00 62.87 2dfu s PRO 258 Cb -0.03 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 2dfu s PRO 258 CO 0.39 -2.29 1.59 0.21 -0.33 0.00 0.00 177.00 176.57 2dfu s LYS 259 N -4.44 4.20 0.65 5.54 2.47 -1.26 -2.97 119.74 123.93 2dfu s LYS 259 Ca 0.69 2.42 -0.11 0.00 -1.56 0.00 0.00 55.97 57.40 2dfu s LYS 259 Cb -0.24 -3.13 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 2dfu s LYS 259 CO 0.54 -0.62 1.05 -1.21 0.16 0.00 0.00 175.35 175.26 2dfu s GLU 260 N 0.91 3.25 0.49 4.03 2.02 -0.04 -4.94 118.70 124.42 2dfu s GLU 260 Ca 0.70 0.89 0.09 0.00 0.02 0.00 0.00 54.97 56.66 2dfu s GLU 260 Cb -0.45 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 31.79 2dfu s GLU 260 CO 0.33 -0.85 0.63 -1.21 0.02 0.00 0.00 175.26 174.19 2dfu s GLU 261 N -5.01 2.57 0.29 1.61 2.02 -1.26 -4.44 118.70 114.48 2dfu s GLU 261 Ca 0.57 -1.46 -0.28 0.00 0.02 0.00 0.00 54.97 53.82 2dfu s GLU 261 Cb -0.13 -2.65 -0.14 0.00 0.10 0.00 0.00 34.13 31.31 2dfu s GLU 261 CO 0.53 -0.51 0.99 0.54 0.02 0.00 0.00 175.26 176.83 2dfu n ARG 262 N -1.97 1.31 -0.32 1.61 1.74 -1.26 -4.79 116.66 112.97 2dfu n ARG 262 Ca 0.10 0.46 0.23 0.00 -0.77 0.00 0.00 57.85 57.87 2dfu n ARG 262 Cb 0.61 -1.82 0.44 0.00 -1.02 0.00 0.00 32.46 30.66 2dfu n ARG 262 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2dfu h PRO 263 N 1.93 0.09 0.00 5.56 0.10 -2.00 -3.53 132.00 134.15 2dfu h PRO 263 Ca -0.39 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.70 2dfu h PRO 263 Cb 1.34 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.42 2dfu h PRO 263 CO 0.60 0.06 0.00 -2.67 0.10 0.00 0.00 178.00 176.09