#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 4.03 -0.11 3.17 3.01 -1.26 -1.33 119.74 127.25 2dfu s LYS 2 Ca 0.00 -0.15 -0.00 0.00 -1.01 0.00 0.00 55.97 54.81 2dfu s LYS 2 Cb 0.00 -3.61 -0.02 0.00 -1.01 0.00 0.00 37.83 33.19 2dfu s LYS 2 CO 0.00 -0.11 -0.09 0.42 0.51 0.00 0.00 175.35 176.07 2dfu s ILE 3 N 1.57 3.42 0.18 2.17 1.01 0.57 -1.50 121.20 128.61 2dfu s ILE 3 Ca 0.11 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2dfu s ILE 3 Cb -0.15 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2dfu s ILE 3 CO 0.08 0.54 0.02 -1.48 0.00 0.00 0.00 174.94 174.11 2dfu s LEU 4 N -0.02 1.99 -0.05 2.97 2.34 -0.20 -0.67 118.68 125.04 2dfu s LEU 4 Ca -0.02 -1.21 0.06 0.00 0.06 0.00 0.00 54.13 53.02 2dfu s LEU 4 Cb -0.14 -0.01 -0.02 0.00 -0.56 0.00 0.00 46.19 45.47 2dfu s LEU 4 CO 0.03 -0.61 -0.23 -0.13 -1.06 0.00 0.00 176.35 174.35 2dfu s ARG 5 N -3.95 2.45 0.19 1.48 0.52 -1.26 -1.33 118.95 117.05 2dfu s ARG 5 Ca 0.27 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 2dfu s ARG 5 Cb 0.06 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 2dfu s ARG 5 CO 0.06 0.46 0.37 -0.59 0.02 0.00 0.00 175.30 175.62 2dfu s PHE 6 N -0.34 0.29 0.00 -0.53 -0.71 0.07 -1.09 117.98 115.67 2dfu s PHE 6 Ca 0.02 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 2dfu s PHE 6 Cb -0.12 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2dfu s PHE 6 CO 0.02 -0.82 0.00 0.09 -1.34 0.00 0.00 175.22 173.17 2dfu n ASN 7 N -0.28 0.00 -3.44 1.98 3.02 -0.28 -0.85 115.26 115.41 2dfu n ASN 7 Ca -0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.09 2dfu n ASN 7 Cb 0.63 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 2dfu n ASN 7 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2dfu n GLU 8 N 14.00 3.79 -2.14 3.52 0.00 -1.26 -4.56 120.64 134.00 2dfu n GLU 8 Ca 0.00 -2.63 -0.17 0.00 0.00 0.00 0.00 57.16 54.36 2dfu n GLU 8 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 31.44 28.58 2dfu n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dfu n GLY 9 N 3.17 0.13 3.86 -1.84 0.00 -1.11 -4.99 105.19 104.41 2dfu n GLY 9 Ca 0.69 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.53 3.82 0.16 1.61 0.52 -0.03 -4.83 118.95 115.66 2dfu s ARG 10 Ca 0.00 0.71 0.07 0.00 -0.52 0.00 0.00 55.73 56.00 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 -0.23 -0.03 -1.58 0.02 0.00 0.00 175.30 173.48 2dfu s TRP 11 N -2.63 2.82 0.18 -0.53 0.52 -1.26 -0.75 118.94 117.29 2dfu s TRP 11 Ca 0.55 -0.14 -0.23 0.00 0.02 0.00 0.00 56.10 56.30 2dfu s TRP 11 Cb -0.10 -1.39 0.06 0.00 -1.15 0.00 0.00 33.47 30.89 2dfu s TRP 11 CO 0.35 0.50 0.95 0.20 0.02 0.00 0.00 176.95 178.98 2dfu s GLY 12 N -2.76 -0.11 0.00 0.98 0.00 -0.44 -0.83 107.32 104.17 2dfu s GLY 12 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.98 2dfu s GLY 12 CO 0.17 0.47 -0.19 0.14 0.00 0.00 0.00 173.10 173.69 2dfu s VAL 13 N -3.02 2.66 -0.17 1.40 1.01 0.33 -1.03 120.40 121.58 2dfu s VAL 13 Ca 0.14 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2dfu s VAL 13 Cb -0.02 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2dfu s VAL 13 CO 0.04 0.46 0.29 -0.22 0.00 0.00 0.00 175.10 175.67 2dfu s LEU 14 N -1.06 4.23 -0.31 3.92 2.96 -0.57 -0.74 118.68 127.11 2dfu s LEU 14 Ca 0.13 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2dfu s LEU 14 Cb -0.10 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.33 2dfu s LEU 14 CO 0.02 0.08 0.11 -1.61 -1.32 0.00 0.00 176.35 173.63 2dfu s GLU 15 N 0.58 0.67 6.96 1.98 0.41 0.05 -4.58 118.70 124.77 2dfu s GLU 15 Ca 0.16 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 2dfu s GLU 15 Cb -0.13 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2dfu s GLU 15 CO 0.04 -1.00 0.00 0.41 -0.49 0.00 0.00 175.26 174.22 2dfu n GLY 16 N 4.84 2.48 0.84 -1.39 0.00 -1.26 -1.30 105.19 109.40 2dfu n GLY 16 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2dfu n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dfu n GLU 17 N 6.36 2.16 -4.20 1.61 0.28 -1.26 -4.97 120.64 120.63 2dfu n GLU 17 Ca 0.00 -1.97 -0.35 0.00 -0.16 0.00 0.00 57.16 54.68 2dfu n GLU 17 Cb 0.00 -1.37 -0.09 0.00 1.43 0.00 0.00 31.44 31.41 2dfu n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dfu s LEU 18 N -1.17 3.72 -0.30 -1.84 1.43 -0.42 -0.63 118.68 119.47 2dfu s LEU 18 Ca 0.28 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2dfu s LEU 18 Cb 0.16 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2dfu s LEU 18 CO 0.23 0.29 0.18 -0.69 0.23 0.00 0.00 176.35 176.58 2dfu s VAL 19 N -0.34 4.98 -0.34 -1.59 1.01 0.86 -0.77 120.40 124.21 2dfu s VAL 19 Ca 0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2dfu s VAL 19 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2dfu s VAL 19 CO 0.02 0.16 0.19 -0.76 0.00 0.00 0.00 175.10 174.70 2dfu s LEU 20 N 1.69 4.43 0.44 3.92 1.43 0.08 -0.65 118.68 130.03 2dfu s LEU 20 Ca 0.06 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.19 2dfu s LEU 20 Cb -0.16 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 2dfu s LEU 20 CO 0.09 -0.29 1.30 -0.70 0.23 0.00 0.00 176.35 176.98 2dfu s GLU 21 N 1.60 3.78 0.16 1.70 2.12 -0.77 -0.51 118.70 126.78 2dfu s GLU 21 Ca 0.04 2.13 0.04 0.00 0.36 0.00 0.00 54.97 57.54 2dfu s GLU 21 Cb -0.18 -2.62 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 2dfu s GLU 21 CO 0.07 -0.64 -0.08 0.95 -0.54 0.00 0.00 175.26 175.02 2dfu s THR 22 N -1.31 1.09 -1.03 -1.70 -4.23 -0.01 -1.83 115.64 106.63 2dfu s THR 22 Ca 0.60 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.88 2dfu s THR 22 Cb -0.37 -1.91 0.12 0.00 1.34 0.00 0.00 72.50 71.67 2dfu s THR 22 CO 0.47 -0.69 1.29 -0.62 -0.54 0.00 0.00 174.62 174.53 2dfu s ASP 23 N -3.18 6.70 0.00 3.99 2.15 0.18 -4.21 116.67 122.30 2dfu s ASP 23 Ca 0.18 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 51.04 2dfu s ASP 23 Cb 0.03 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2dfu s ASP 23 CO 0.01 -1.10 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 2dfu n GLY 24 N 5.52 -0.54 3.64 2.66 0.00 -1.26 -4.04 105.19 111.17 2dfu n GLY 24 Ca 0.30 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.96 3.81 -0.59 1.61 0.02 -1.26 -1.65 135.00 134.98 2dfu s PRO 25 Ca 0.00 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2dfu s PRO 25 Cb 0.00 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.32 2dfu s PRO 25 CO 0.00 -1.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 2dfu n GLY 26 N 4.89 0.68 1.93 0.52 0.00 -1.26 -4.98 105.19 106.97 2dfu n GLY 26 Ca 0.23 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.68 -1.38 3.75 -0.02 0.00 -0.66 -5.00 105.19 101.20 2dfu n GLY 27 Ca -0.06 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2dfu n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dfu n ASN 28 N -3.46 3.28 -4.76 1.61 5.03 -1.26 -4.29 115.26 111.41 2dfu n ASN 28 Ca 0.08 1.15 -0.36 0.00 0.87 0.00 0.00 54.58 56.33 2dfu n ASN 28 Cb 0.29 -1.58 0.01 0.00 -1.02 0.00 0.00 39.78 37.48 2dfu n ASN 28 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 2dfu s PRO 29 N -2.27 3.29 -0.00 3.52 0.02 -1.26 0.48 135.00 138.77 2dfu s PRO 29 Ca 0.58 1.75 0.22 0.00 0.02 0.00 0.00 61.00 63.58 2dfu s PRO 29 Cb -0.48 -2.07 -0.25 0.00 0.02 0.00 0.00 34.50 31.72 2dfu s PRO 29 CO 0.60 -0.93 0.68 0.25 -0.33 0.00 0.00 177.00 177.27 2dfu n THR 30 N -1.23 0.04 0.00 0.99 -2.24 -0.76 -4.78 114.28 106.30 2dfu n THR 30 Ca 0.11 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2dfu n THR 30 Cb 0.50 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.34 0.26 3.87 3.38 0.00 -1.26 -5.07 105.19 107.71 2dfu n GLY 31 Ca -0.01 0.00 -0.35 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 -0.93 3.72 0.05 1.61 0.52 -1.26 -5.03 118.95 117.63 2dfu s ARG 32 Ca 0.00 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 2dfu s ARG 32 Cb 0.00 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 2dfu s ARG 32 CO 0.00 0.57 -0.06 -0.98 0.02 0.00 0.00 175.30 174.85 2dfu s ARG 33 N -1.91 0.52 0.04 3.54 1.70 -1.26 -1.85 118.95 119.73 2dfu s ARG 33 Ca 0.32 -0.84 -0.01 0.00 -0.47 0.00 0.00 55.73 54.73 2dfu s ARG 33 Cb -0.14 -0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.08 2dfu s ARG 33 CO 0.18 -0.00 -0.03 0.71 -1.08 0.00 0.00 175.30 175.08 2dfu s TYR 34 N -1.96 0.47 0.18 5.89 1.51 0.18 -4.98 117.35 118.64 2dfu s TYR 34 Ca -0.07 -0.96 -0.26 0.00 -1.01 0.00 0.00 57.07 54.77 2dfu s TYR 34 Cb -0.06 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.36 2dfu s TYR 34 CO -0.02 -0.34 0.80 -0.51 -1.11 0.00 0.00 175.55 174.38 2dfu s ASP 35 N -2.62 7.43 0.21 2.29 1.01 -1.26 -0.10 116.67 123.63 2dfu s ASP 35 Ca 0.02 1.70 -0.10 0.00 0.71 0.00 0.00 52.55 54.88 2dfu s ASP 35 Cb 0.04 -2.52 0.27 0.00 1.01 0.00 0.00 42.92 41.73 2dfu s ASP 35 CO -0.08 0.20 1.74 0.25 0.21 0.00 0.00 175.17 177.48 2dfu h LEU 36 N 4.31 0.17 -2.85 1.23 5.85 -1.21 -1.12 115.31 121.69 2dfu h LEU 36 Ca -0.47 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2dfu h LEU 36 Cb 1.21 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2dfu h LEU 36 CO 0.66 0.10 0.04 0.00 -0.34 0.00 0.00 178.44 178.91 2dfu h ALA 37 N 1.42 1.08 -0.00 1.25 0.00 -1.93 -2.23 119.26 118.85 2dfu h ALA 37 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dfu h ALA 37 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dfu h ALA 37 CO -0.32 -0.04 -0.54 0.43 0.00 0.00 0.00 179.25 178.77 2dfu n SER 38 N -3.10 0.88 -4.91 0.00 7.64 -0.43 -4.95 113.62 108.75 2dfu n SER 38 Ca -0.03 -0.68 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 2dfu n SER 38 Cb 0.11 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2dfu n SER 38 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dfu s VAL 39 N -2.83 4.30 -0.43 0.44 -7.23 -0.84 -4.99 120.40 108.82 2dfu s VAL 39 Ca 0.14 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.96 2dfu s VAL 39 Cb 0.18 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2dfu s VAL 39 CO 0.68 -0.25 0.33 -0.89 -0.31 0.00 0.00 175.10 174.65 2dfu s THR 40 N -2.15 5.25 0.23 5.32 2.01 -1.26 -4.94 115.64 120.09 2dfu s THR 40 Ca 0.38 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2dfu s THR 40 Cb -0.08 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2dfu s THR 40 CO 0.28 -0.38 1.38 -0.76 -0.69 0.00 0.00 174.62 174.45 2dfu s LEU 41 N 1.68 4.40 0.36 4.42 1.43 -1.26 -1.12 118.68 128.59 2dfu s LEU 41 Ca 0.05 2.55 0.09 0.00 -1.03 0.00 0.00 54.13 55.79 2dfu s LEU 41 Cb -0.20 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 2dfu s LEU 41 CO 0.09 -0.62 -0.04 -0.76 0.23 0.00 0.00 176.35 175.25 2dfu s LEU 42 N -0.31 2.83 0.31 1.79 1.43 -0.25 -4.34 118.68 120.14 2dfu s LEU 42 Ca 0.58 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 2dfu s LEU 42 Cb -0.39 -1.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.65 2dfu s LEU 42 CO 0.41 -0.28 1.51 -2.84 0.23 0.00 0.00 176.35 175.39 2dfu s PRO 43 N -3.67 4.16 0.00 1.29 0.02 -1.26 -4.41 135.00 131.14 2dfu s PRO 43 Ca 0.34 2.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.85 2dfu s PRO 43 Cb 0.04 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 2dfu s PRO 43 CO 0.18 -0.53 1.45 -0.35 -0.33 0.00 0.00 177.00 177.42 2dfu n PRO 44 N 1.63 0.73 -3.56 5.54 -0.04 -1.26 -4.66 135.00 133.38 2dfu n PRO 44 Ca 0.05 -0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 2dfu n PRO 44 Cb 0.39 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.76 -1.89 -0.47 0.55 0.00 -1.26 -4.86 121.76 114.59 2dfu s ALA 45 Ca 0.04 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.12 2dfu s ALA 45 Cb 0.02 0.30 0.25 0.00 0.00 0.00 0.00 23.12 23.69 2dfu s ALA 45 CO 0.00 -0.73 0.60 0.25 0.00 0.00 0.00 175.76 175.88 2dfu n THR 46 N -0.24 0.28 -2.09 0.00 -2.24 -1.26 -5.12 114.28 103.61 2dfu n THR 46 Ca -0.06 -4.41 -0.40 0.00 -2.27 0.00 0.00 64.05 56.91 2dfu n THR 46 Cb 0.61 -1.95 -0.01 0.00 -2.10 0.00 0.00 70.33 66.87 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 -1.63 4.12 0.39 -0.78 0.04 -1.12 -4.77 135.00 131.24 2dfu s PRO 47 Ca 0.37 2.17 0.21 0.00 0.04 0.00 0.00 61.00 63.79 2dfu s PRO 47 Cb 0.17 -2.87 0.25 0.00 0.04 0.00 0.00 34.50 32.09 2dfu s PRO 47 CO -0.08 -0.37 1.54 1.79 0.04 0.00 0.00 177.00 179.92 2dfu h THR 48 N 2.68 0.22 -2.30 1.26 1.35 -1.86 -3.46 112.91 110.80 2dfu h THR 48 Ca -0.49 -1.31 0.11 0.00 -0.55 0.00 0.00 66.41 64.17 2dfu h THR 48 Cb 1.24 2.08 -0.15 0.00 -1.73 0.00 0.00 68.15 69.60 2dfu h THR 48 CO 0.64 0.12 0.49 -1.59 -0.25 0.00 0.00 175.52 174.93 2dfu s LYS 49 N -3.15 0.86 -0.20 4.72 -2.85 -1.26 -4.89 119.74 112.97 2dfu s LYS 49 Ca 0.06 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 2dfu s LYS 49 Cb 0.06 0.38 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2dfu s LYS 49 CO 0.70 -0.38 -0.08 0.42 0.10 0.00 0.00 175.35 176.11 2dfu s ILE 50 N -3.15 1.47 -0.20 3.79 1.01 -1.17 -2.97 121.20 119.98 2dfu s ILE 50 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2dfu s ILE 50 Cb -0.01 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2dfu s ILE 50 CO -0.08 0.10 0.15 -0.69 0.00 0.00 0.00 174.94 174.41 2dfu s VAL 51 N 1.46 5.40 0.07 2.92 1.01 -0.51 -1.65 120.40 129.09 2dfu s VAL 51 Ca -0.02 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2dfu s VAL 51 Cb -0.17 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2dfu s VAL 51 CO -0.08 0.42 -0.24 0.00 0.00 0.00 0.00 175.10 175.21 2dfu s VAL 53 N -0.89 5.15 0.00 0.00 1.01 -0.86 -1.06 120.40 123.75 2dfu s VAL 53 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2dfu s VAL 53 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2dfu s VAL 53 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2dfu n GLY 54 N 0.47 0.78 3.67 4.51 0.00 0.29 -4.02 105.19 110.90 2dfu n GLY 54 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 2dfu n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dfu n ARG 55 N 0.00 2.23 0.00 1.61 0.63 -1.26 -4.43 116.66 115.43 2dfu n ARG 55 Ca 0.00 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 2dfu n ARG 55 Cb 0.00 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.32 2dfu n ARG 55 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2dfu n ASN 56 N 3.71 0.00 -4.31 6.15 5.15 -1.26 -4.76 115.26 119.94 2dfu n ASN 56 Ca 0.17 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.86 2dfu n ASN 56 Cb 0.30 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.40 2dfu n ASN 56 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2dfu s TYR 57 N 0.00 2.18 -0.15 1.20 1.51 -1.26 -0.50 117.35 120.33 2dfu s TYR 57 Ca 0.00 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.38 2dfu s TYR 57 Cb 0.00 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2dfu s TYR 57 CO 0.00 0.07 0.93 1.03 -1.11 0.00 0.00 175.55 176.47 2dfu s ARG 58 N -1.01 4.35 -0.30 -0.62 0.52 -1.16 -4.92 118.95 115.81 2dfu s ARG 58 Ca 0.10 1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 56.37 2dfu s ARG 58 Cb -0.10 -3.56 0.18 0.00 0.52 0.00 0.00 34.95 31.99 2dfu s ARG 58 CO 0.01 -0.35 1.15 -0.51 0.02 0.00 0.00 175.30 175.62 2dfu s LEU 72 N 2.18 -0.24 0.68 2.53 1.43 -1.26 -5.02 118.68 118.97 2dfu s LEU 72 Ca 0.43 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 2dfu s LEU 72 Cb -0.17 1.35 0.01 0.00 0.03 0.00 0.00 46.19 47.41 2dfu s LEU 72 CO 0.14 -0.06 1.21 -2.16 0.23 0.00 0.00 176.35 175.72 2dfu s PRO 73 N 1.22 2.47 -0.02 1.29 0.04 -1.26 -4.96 135.00 133.78 2dfu s PRO 73 Ca -0.08 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2dfu s PRO 73 Cb -0.03 -1.87 -0.25 0.00 0.04 0.00 0.00 34.50 32.39 2dfu s PRO 73 CO -0.12 -1.59 0.77 1.57 0.04 0.00 0.00 177.00 177.67 2dfu h LYS 74 N 0.18 0.15 -5.74 4.56 2.10 -2.03 -3.47 116.57 112.31 2dfu h LYS 74 Ca -0.49 -0.25 -0.48 0.00 -2.00 0.00 0.00 60.65 57.43 2dfu h LYS 74 Cb 1.30 0.09 -0.18 0.00 -0.90 0.00 0.00 32.23 32.54 2dfu h LYS 74 CO 0.52 0.92 -0.77 -1.21 -2.00 0.00 0.00 179.45 176.91 2dfu s GLU 75 N -2.61 1.17 0.14 0.07 2.02 -1.26 -5.10 118.70 113.13 2dfu s GLU 75 Ca -0.08 -1.33 -0.31 0.00 0.02 0.00 0.00 54.97 53.26 2dfu s GLU 75 Cb 0.07 -1.17 -0.10 0.00 0.10 0.00 0.00 34.13 33.04 2dfu s GLU 75 CO 0.83 0.23 1.64 -2.14 0.02 0.00 0.00 175.26 175.84 2dfu s PRO 76 N -2.72 4.19 0.15 0.39 0.02 -1.26 -4.96 135.00 130.81 2dfu s PRO 76 Ca 0.13 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.27 2dfu s PRO 76 Cb -0.06 -3.29 -0.07 0.00 0.02 0.00 0.00 34.50 31.10 2dfu s PRO 76 CO 0.05 -0.68 0.92 0.20 -0.33 0.00 0.00 177.00 177.16 2dfu s GLY 77 N 1.61 3.02 0.15 0.52 0.00 -1.26 -4.95 107.32 106.41 2dfu s GLY 77 Ca 0.73 0.55 0.08 0.00 0.00 0.00 0.00 44.72 46.07 2dfu s GLY 77 CO 0.32 1.30 -0.17 1.08 0.00 0.00 0.00 173.10 175.63 2dfu s LEU 78 N -0.47 2.44 0.08 0.66 1.43 -1.26 -0.55 118.68 121.01 2dfu s LEU 78 Ca 0.43 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2dfu s LEU 78 Cb -0.24 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.29 2dfu s LEU 78 CO 0.30 -0.08 0.41 0.72 0.23 0.00 0.00 176.35 177.92 2dfu s PHE 79 N -2.16 -0.24 0.21 0.29 -0.71 -0.22 -4.95 117.98 110.20 2dfu s PHE 79 Ca 0.14 0.08 0.07 0.00 -1.04 0.00 0.00 56.93 56.18 2dfu s PHE 79 Cb -0.05 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2dfu s PHE 79 CO 0.05 -0.63 0.13 -0.51 -1.34 0.00 0.00 175.22 172.93 2dfu s LEU 80 N -2.34 3.68 -0.00 -1.99 1.43 -1.26 0.04 118.68 118.23 2dfu s LEU 80 Ca -0.02 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2dfu s LEU 80 Cb 0.00 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 2dfu s LEU 80 CO -0.06 0.02 -0.07 -0.54 0.23 0.00 0.00 176.35 175.93 2dfu s LYS 81 N -3.44 0.56 0.52 1.70 1.02 -0.66 -4.68 119.74 114.76 2dfu s LYS 81 Ca 0.31 -0.27 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 2dfu s LYS 81 Cb -0.09 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2dfu s LYS 81 CO 0.23 0.15 0.84 0.20 -0.92 0.00 0.00 175.35 175.85 2dfu s GLY 82 N -0.22 1.54 0.64 -3.33 0.00 -1.26 -3.02 107.32 101.67 2dfu s GLY 82 Ca 0.02 -0.50 0.37 0.00 0.00 0.00 0.00 44.72 44.61 2dfu s GLY 82 CO -0.00 -0.30 2.23 -2.55 0.00 0.00 0.00 173.10 172.48 2dfu h PRO 83 N 0.06 0.00 0.00 2.90 0.11 -1.90 -1.55 132.00 131.63 2dfu h PRO 83 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dfu h PRO 83 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2dfu h PRO 83 CO 0.61 0.00 -0.01 -2.95 -0.21 0.00 0.00 178.00 175.45 2dfu h ASN 84 N 0.00 0.00 1.27 -2.05 -1.07 -1.92 -1.70 115.58 110.11 2dfu h ASN 84 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 2dfu h ASN 84 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2dfu h ASN 84 CO -0.00 0.01 0.00 0.00 0.07 0.00 0.00 177.43 177.51 2dfu h ALA 85 N 1.99 1.00 -2.80 4.14 0.00 -1.46 -2.62 119.26 119.52 2dfu h ALA 85 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2dfu h ALA 85 Cb 0.11 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.97 2dfu h ALA 85 CO 0.00 0.00 0.82 -0.51 0.00 0.00 0.00 179.25 179.56 2dfu s LEU 86 N -5.35 4.36 -0.01 0.00 1.43 -0.64 0.14 118.68 118.61 2dfu s LEU 86 Ca 0.05 2.85 0.02 0.00 -1.03 0.00 0.00 54.13 56.02 2dfu s LEU 86 Cb 0.09 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2dfu s LEU 86 CO 0.54 -0.82 -0.06 0.00 0.23 0.00 0.00 176.35 176.25 2dfu s ALA 87 N -0.14 0.55 0.33 4.21 0.00 -0.80 -4.40 121.76 121.52 2dfu s ALA 87 Ca 0.60 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 2dfu s ALA 87 Cb -0.45 -0.20 -0.12 0.00 0.00 0.00 0.00 23.12 22.34 2dfu s ALA 87 CO 0.48 0.09 1.40 0.54 0.00 0.00 0.00 175.76 178.27 2dfu n ARG 88 N 3.22 2.34 -2.96 0.00 1.74 -1.26 -2.30 116.66 117.44 2dfu n ARG 88 Ca -0.16 0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 57.40 2dfu n ARG 88 Cb 0.56 -2.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.45 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 -1.60 4.25 0.31 5.56 0.04 -1.26 -2.32 135.00 139.98 2dfu s PRO 89 Ca 0.57 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 2dfu s PRO 89 Cb -0.54 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 2dfu s PRO 89 CO 0.60 0.19 1.33 0.20 0.04 0.00 0.00 177.00 179.35 2dfu s GLY 90 N -1.96 2.84 -0.01 0.56 0.00 0.26 -4.49 107.32 104.52 2dfu s GLY 90 Ca 0.53 1.26 -0.30 0.00 0.00 0.00 0.00 44.72 46.21 2dfu s GLY 90 CO 0.18 1.99 1.37 0.21 0.00 0.00 0.00 173.10 176.85 2dfu s ASN 91 N -0.27 6.88 0.54 1.64 3.84 -1.26 -4.50 114.94 121.81 2dfu s ASN 91 Ca 0.51 2.06 0.27 0.00 0.21 0.00 0.00 52.86 55.91 2dfu s ASN 91 Cb -0.40 -2.56 1.46 0.00 -0.55 0.00 0.00 41.25 39.20 2dfu s ASN 91 CO 0.50 -0.70 1.79 -0.65 -2.79 0.00 0.00 177.10 175.26 2dfu h PRO 92 N 7.81 0.00 0.00 0.43 0.11 -1.92 0.17 132.00 138.60 2dfu h PRO 92 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2dfu h PRO 92 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dfu h PRO 92 CO 0.90 0.00 -0.23 0.54 -0.21 0.00 0.00 178.00 179.00 2dfu n ARG 93 N -2.63 0.11 -2.70 1.05 5.12 -1.26 -4.44 116.66 111.91 2dfu n ARG 93 Ca -0.02 0.06 -0.06 0.00 -1.93 0.00 0.00 57.85 55.90 2dfu n ARG 93 Cb 0.28 -1.60 0.07 0.00 -1.16 0.00 0.00 32.46 30.05 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 -1.77 -2.01 0.00 0.55 2.03 0.29 -5.04 116.55 110.60 2dfu n ASP 94 Ca 0.06 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.84 2dfu n ASP 94 Cb 0.38 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 42.06 2dfu n ASP 94 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2dfu n PRO 95 N 1.41 0.00 0.25 -0.67 -0.02 0.34 -2.34 135.00 133.97 2dfu n PRO 95 Ca 0.04 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 2dfu n PRO 95 Cb 0.68 -1.41 0.66 0.00 -0.02 0.00 0.00 33.50 33.41 2dfu n PRO 95 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2dfu h TRP 96 N 0.00 0.00 0.00 6.00 -0.00 -1.95 -1.61 115.95 118.39 2dfu h TRP 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2dfu h TRP 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 2dfu h TRP 96 CO -0.60 0.15 -0.36 0.41 -0.00 0.00 0.00 178.44 178.04 2dfu n GLY 97 N -0.51 -1.41 0.01 1.49 0.00 -1.17 -4.36 105.19 99.25 2dfu n GLY 97 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.77 0.16 -1.68 2.61 -2.24 -0.99 -5.04 114.28 105.34 2dfu n THR 98 Ca 0.05 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 2dfu n THR 98 Cb 0.38 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.99 1.12 -2.38 6.98 0.00 -0.63 -4.74 120.51 118.86 2dfu n ALA 99 Ca -0.04 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2dfu n ALA 99 Cb 0.47 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.92 4.25 0.45 0.00 2.12 -0.98 -4.88 118.70 118.75 2dfu s GLU 100 Ca 0.64 1.72 -0.24 0.00 0.36 0.00 0.00 54.97 57.45 2dfu s GLU 100 Cb -0.63 -3.74 -0.08 0.00 0.26 0.00 0.00 34.13 29.95 2dfu s GLU 100 CO 0.54 -0.67 1.28 -2.14 -0.54 0.00 0.00 175.26 173.73 2dfu s PRO 101 N 3.28 3.74 -0.39 4.30 0.02 -1.26 -4.53 135.00 140.15 2dfu s PRO 101 Ca 0.57 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 63.50 2dfu s PRO 101 Cb -0.24 -2.56 0.01 0.00 0.02 0.00 0.00 34.50 31.74 2dfu s PRO 101 CO 0.18 -0.65 0.36 0.08 -0.33 0.00 0.00 177.00 176.64 2dfu s VAL 102 N -1.35 5.17 0.25 3.83 1.01 -0.07 -4.80 120.40 124.44 2dfu s VAL 102 Ca 0.62 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2dfu s VAL 102 Cb -0.36 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 2dfu s VAL 102 CO 0.45 -0.29 1.47 -2.84 0.00 0.00 0.00 175.10 173.89 2dfu s PRO 103 N 1.94 4.25 -0.41 2.72 0.02 -1.26 0.02 135.00 142.28 2dfu s PRO 103 Ca 0.09 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 2dfu s PRO 103 Cb -0.18 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.26 2dfu s PRO 103 CO 0.12 -0.46 1.36 -0.47 -0.33 0.00 0.00 177.00 177.23 2dfu s TYR 104 N 0.06 2.48 0.75 6.54 6.14 -1.17 -4.84 117.35 127.31 2dfu s TYR 104 Ca 0.60 0.69 -0.15 0.00 0.64 0.00 0.00 57.07 58.86 2dfu s TYR 104 Cb -0.43 -4.30 0.02 0.00 0.42 0.00 0.00 41.96 37.68 2dfu s TYR 104 CO 0.43 -1.86 1.00 -2.30 0.64 0.00 0.00 175.55 173.46 2dfu n PRO 105 N 7.99 0.41 0.08 4.97 -0.02 -1.26 -0.43 135.00 146.74 2dfu n PRO 105 Ca 0.16 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 2dfu n PRO 105 Cb 0.48 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.44 0.29 0.00 6.00 3.57 -1.87 -3.30 116.94 121.19 2dfu h PHE 106 Ca -0.47 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 60.86 2dfu h PHE 106 Cb 1.32 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2dfu h PHE 106 CO 0.41 1.03 0.00 1.97 -2.23 0.00 0.00 178.31 179.49 2dfu n PHE 107 N -3.60 0.00 -4.22 0.41 1.16 -1.26 -4.85 117.46 105.11 2dfu n PHE 107 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.42 2dfu n PHE 107 Cb 0.86 -0.19 -0.10 0.00 -1.61 0.00 0.00 39.48 38.43 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 -2.39 0.69 0.00 1.97 -1.32 -1.24 -4.84 115.64 108.51 2dfu s THR 108 Ca 0.26 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2dfu s THR 108 Cb 0.15 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 2dfu s THR 108 CO 0.32 -0.60 0.92 -0.62 -2.21 0.00 0.00 174.62 172.43 2dfu n GLU 109 N -0.18 0.00 -3.18 7.08 1.02 -1.26 -4.83 120.64 119.29 2dfu n GLU 109 Ca -0.08 -0.90 -0.18 0.00 -0.02 0.00 0.00 57.16 55.98 2dfu n GLU 109 Cb 0.62 -0.47 -0.03 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.99 -2.92 3.49 4.07 -1.26 -5.03 120.64 119.98 2dfu n GLU 110 Ca 0.00 -3.39 -0.41 0.00 -0.06 0.00 0.00 57.16 53.30 2dfu n GLU 110 Cb 0.67 -1.71 -0.04 0.00 -0.06 0.00 0.00 31.44 30.30 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 -2.45 4.24 0.15 4.31 2.96 -1.26 -0.96 118.68 125.67 2dfu s LEU 111 Ca 0.40 1.23 0.09 0.00 -0.22 0.00 0.00 54.13 55.62 2dfu s LEU 111 Cb 0.35 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 2dfu s LEU 111 CO -0.08 -0.30 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.45 2dfu s HIS 112 N 1.64 1.86 0.04 5.38 3.76 0.78 -0.02 115.29 128.73 2dfu s HIS 112 Ca 0.39 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 2dfu s HIS 112 Cb -0.17 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 2dfu s HIS 112 CO 0.16 0.31 0.10 1.52 -0.85 0.00 0.00 174.74 175.98 2dfu s TYR 113 N -1.76 3.28 -0.27 1.40 -0.85 -1.05 -1.50 117.35 116.60 2dfu s TYR 113 Ca 0.14 0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 56.84 2dfu s TYR 113 Cb -0.07 -1.69 0.13 0.00 0.38 0.00 0.00 41.96 40.71 2dfu s TYR 113 CO 0.06 0.55 0.32 -1.21 -1.52 0.00 0.00 175.55 173.74 2dfu s GLU 114 N -2.11 0.32 0.25 -3.49 2.02 -1.23 -4.04 118.70 110.42 2dfu s GLU 114 Ca 0.27 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 2dfu s GLU 114 Cb -0.12 -0.65 -0.09 0.00 0.10 0.00 0.00 34.13 33.36 2dfu s GLU 114 CO 0.19 -0.92 1.06 0.20 0.02 0.00 0.00 175.26 175.82 2dfu s GLY 115 N 2.41 3.04 0.05 -1.39 0.00 -1.26 -0.67 107.32 109.50 2dfu s GLY 115 Ca 0.10 0.81 -0.14 0.00 0.00 0.00 0.00 44.72 45.49 2dfu s GLY 115 CO -0.27 1.46 0.31 -0.54 0.00 0.00 0.00 173.10 174.06 2dfu s GLU 116 N -1.17 0.83 0.07 2.90 2.02 -0.27 -4.35 118.70 118.73 2dfu s GLU 116 Ca 0.45 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 2dfu s GLU 116 Cb -0.30 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.24 2dfu s GLU 116 CO 0.38 -0.27 0.87 -1.17 0.02 0.00 0.00 175.26 175.09 2dfu s LEU 117 N -2.11 4.46 0.05 1.80 2.96 -1.26 -1.46 118.68 123.12 2dfu s LEU 117 Ca -0.04 1.61 0.08 0.00 -0.22 0.00 0.00 54.13 55.56 2dfu s LEU 117 Cb -0.01 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 2dfu s LEU 117 CO -0.04 -0.05 -0.19 0.00 -1.32 0.00 0.00 176.35 174.75 2dfu s ALA 118 N 0.10 2.56 -0.07 5.97 0.00 0.63 -2.22 121.76 128.73 2dfu s ALA 118 Ca 0.44 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2dfu s ALA 118 Cb -0.22 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2dfu s ALA 118 CO 0.26 0.57 -0.13 0.08 0.00 0.00 0.00 175.76 176.54 2dfu s VAL 119 N -0.94 3.13 -0.25 0.00 1.01 0.81 -0.83 120.40 123.33 2dfu s VAL 119 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2dfu s VAL 119 Cb -0.10 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2dfu s VAL 119 CO 0.05 0.58 -0.02 -0.69 0.00 0.00 0.00 175.10 175.02 2dfu s VAL 120 N -0.49 3.28 0.24 2.92 1.01 -0.37 -0.80 120.40 126.19 2dfu s VAL 120 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2dfu s VAL 120 Cb -0.12 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 2dfu s VAL 120 CO 0.02 0.23 1.32 -0.69 0.00 0.00 0.00 175.10 175.97 2dfu s VAL 121 N 1.41 3.04 -0.27 2.92 1.01 -0.34 -1.09 120.40 127.07 2dfu s VAL 121 Ca 0.02 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 2dfu s VAL 121 Cb -0.16 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 2dfu s VAL 121 CO -0.02 0.16 -0.30 0.61 0.00 0.00 0.00 175.10 175.54 2dfu n GLY 122 N 1.95 -0.50 3.54 4.51 0.00 0.17 0.77 105.19 115.63 2dfu n GLY 122 Ca 0.05 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -7.33 4.26 0.28 1.61 1.01 -0.40 -4.58 116.67 111.52 2dfu s ASP 123 Ca -0.37 -0.29 -0.28 0.00 0.71 0.00 0.00 52.55 52.32 2dfu s ASP 123 Cb 0.13 -0.86 -0.14 0.00 1.01 0.00 0.00 42.92 43.06 2dfu s ASP 123 CO 0.49 0.26 0.98 -1.14 0.21 0.00 0.00 175.17 175.97 2dfu n ARG 124 N 1.45 1.25 -4.09 8.23 0.63 -1.26 -4.70 116.66 118.15 2dfu n ARG 124 Ca -0.15 0.44 -0.29 0.00 -0.92 0.00 0.00 57.85 56.93 2dfu n ARG 124 Cb 0.52 -1.78 -0.17 0.00 0.45 0.00 0.00 32.46 31.48 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 -1.46 2.02 -0.14 -0.14 -1.94 0.13 -4.98 119.30 112.79 2dfu s MET 125 Ca 0.60 -0.46 -0.04 0.00 -1.71 0.00 0.00 55.69 54.07 2dfu s MET 125 Cb -0.72 -1.87 0.07 0.00 2.01 0.00 0.00 34.83 34.31 2dfu s MET 125 CO 0.59 -0.20 0.25 0.50 -0.01 0.00 0.00 175.02 176.15 2dfu s ARG 126 N 1.42 0.15 -0.97 2.03 3.52 -1.26 -0.99 118.95 122.84 2dfu s ARG 126 Ca 0.02 0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 56.16 2dfu s ARG 126 Cb -0.13 -0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.00 2dfu s ARG 126 CO -0.08 -0.35 0.76 0.72 -0.81 0.00 0.00 175.30 175.55 2dfu n HIS 127 N 5.34 -2.29 -4.34 5.12 8.25 0.85 -4.98 115.22 123.17 2dfu n HIS 127 Ca -0.06 0.75 -0.34 0.00 -0.26 0.00 0.00 57.72 57.81 2dfu n HIS 127 Cb 0.50 -3.61 -0.12 0.00 1.12 0.00 0.00 29.99 27.87 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 -3.26 3.92 0.53 1.59 1.01 -1.26 -5.02 120.40 117.91 2dfu s VAL 128 Ca 0.28 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 2dfu s VAL 128 Cb -0.08 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2dfu s VAL 128 CO 0.82 0.48 1.04 -2.16 0.00 0.00 0.00 175.10 175.29 2dfu s PRO 129 N 0.45 3.61 0.31 2.72 0.04 -1.26 -4.46 135.00 136.41 2dfu s PRO 129 Ca -0.03 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.36 2dfu s PRO 129 Cb -0.14 -2.07 0.87 0.00 0.04 0.00 0.00 34.50 33.20 2dfu s PRO 129 CO 0.03 -0.58 1.65 -1.35 0.04 0.00 0.00 177.00 176.79 2dfu h PRO 130 N 1.06 0.25 0.00 0.56 0.11 -1.94 0.92 132.00 132.97 2dfu h PRO 130 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dfu h PRO 130 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2dfu h PRO 130 CO 0.58 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.47 2dfu h GLU 131 N 0.26 0.00 -0.01 1.05 3.07 -1.91 -2.46 114.58 114.58 2dfu h GLU 131 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 2dfu h GLU 131 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2dfu h GLU 131 CO -0.64 0.00 -0.06 1.63 -1.40 0.00 0.00 179.01 178.54 2dfu n LYS 132 N -2.71 0.95 0.24 2.33 5.02 0.27 -4.77 118.16 119.49 2dfu n LYS 132 Ca -0.01 -0.97 -0.15 0.00 -2.02 0.00 0.00 58.31 55.16 2dfu n LYS 132 Cb 0.16 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.97 -1.08 -0.40 7.82 0.00 -0.94 -3.06 119.26 123.58 2dfu h ALA 133 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2dfu h ALA 133 Cb 0.41 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2dfu h ALA 133 CO 0.00 -1.11 0.41 -0.07 0.00 0.00 0.00 179.25 178.48 2dfu h LEU 134 N -0.83 0.00 -1.41 0.00 3.38 -1.86 -0.42 115.31 114.17 2dfu h LEU 134 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2dfu h LEU 134 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2dfu h LEU 134 CO -0.06 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.69 2dfu h ASP 135 N 0.00 0.00 -0.12 -0.43 3.58 -1.87 -2.22 116.42 115.35 2dfu h ASP 135 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2dfu h ASP 135 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2dfu h ASP 135 CO -0.00 0.00 0.00 1.41 -2.88 0.00 0.00 179.24 177.77 2dfu n HIS 136 N -2.83 0.14 -3.11 0.28 8.25 -0.17 -4.86 115.22 112.92 2dfu n HIS 136 Ca 0.01 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.00 2dfu n HIS 136 Cb 0.25 0.00 -0.05 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 -1.86 5.07 -0.10 1.59 1.01 -0.84 0.45 120.40 125.72 2dfu s VAL 137 Ca 0.34 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.38 2dfu s VAL 137 Cb 0.20 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 2dfu s VAL 137 CO 0.30 0.28 0.87 0.25 0.00 0.00 0.00 175.10 176.80 2dfu h LEU 138 N 6.68 -0.01 0.00 3.92 5.85 -1.33 -3.42 115.31 127.00 2dfu h LEU 138 Ca -0.41 -0.78 0.16 0.00 0.84 0.00 0.00 57.88 57.69 2dfu h LEU 138 Cb 1.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2dfu h LEU 138 CO 0.75 0.80 0.45 0.61 -0.34 0.00 0.00 178.44 180.70 2dfu n GLY 139 N 1.18 0.59 3.34 3.75 0.00 -1.09 -4.43 105.19 108.53 2dfu n GLY 139 Ca -0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.98 2.29 0.14 1.61 2.02 0.62 -1.23 117.35 119.82 2dfu s TYR 140 Ca 0.16 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 2dfu s TYR 140 Cb -0.01 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2dfu s TYR 140 CO 0.01 0.11 0.14 -2.37 -1.57 0.00 0.00 175.55 171.86 2dfu n THR 141 N 1.85 0.00 -4.32 -0.71 5.66 -0.01 0.33 114.28 117.08 2dfu n THR 141 Ca -0.17 -0.93 -0.27 0.00 -3.05 0.00 0.00 64.05 59.63 2dfu n THR 141 Cb 0.52 0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.56 2.97 0.13 1.08 1.01 -0.90 -0.27 120.40 121.85 2dfu s VAL 142 Ca 0.15 -1.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.29 2dfu s VAL 142 Cb 0.01 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2dfu s VAL 142 CO 0.11 -0.10 0.26 0.00 0.00 0.00 0.00 175.10 175.36 2dfu s ALA 143 N -1.68 -0.22 -0.20 5.51 0.00 -0.53 -1.55 121.76 123.08 2dfu s ALA 143 Ca 0.24 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2dfu s ALA 143 Cb -0.09 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.75 2dfu s ALA 143 CO 0.14 -0.59 -0.09 0.08 0.00 0.00 0.00 175.76 175.30 2dfu s VAL 144 N -3.90 1.55 -0.93 0.00 1.01 -1.05 -1.11 120.40 115.97 2dfu s VAL 144 Ca 0.10 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 2dfu s VAL 144 Cb 0.04 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.85 2dfu s VAL 144 CO -0.06 0.13 1.21 -0.62 0.00 0.00 0.00 175.10 175.76 2dfu s ASP 145 N 1.43 6.54 0.17 3.32 2.15 0.15 -3.57 116.67 126.86 2dfu s ASP 145 Ca -0.02 -1.75 -0.31 0.00 0.43 0.00 0.00 52.55 50.90 2dfu s ASP 145 Cb -0.16 -2.45 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 2dfu s ASP 145 CO -0.08 -1.24 1.47 -0.63 -0.17 0.00 0.00 175.17 174.53 2dfu s ILE 146 N 3.53 2.88 -0.06 4.11 -1.09 -0.84 -3.56 121.20 126.18 2dfu s ILE 146 Ca 0.36 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 2dfu s ILE 146 Cb -0.04 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2dfu s ILE 146 CO -0.08 0.06 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.71 2dfu s THR 147 N 0.88 0.90 -0.70 2.92 2.01 -0.56 -4.58 115.64 116.50 2dfu s THR 147 Ca 0.66 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 2dfu s THR 147 Cb -0.41 -0.85 0.17 0.00 0.01 0.00 0.00 72.50 71.42 2dfu s THR 147 CO 0.33 0.30 0.67 0.00 -0.69 0.00 0.00 174.62 175.24 2dfu s ALA 148 N 0.76 3.85 0.32 7.40 0.00 -0.03 -0.15 121.76 133.91 2dfu s ALA 148 Ca -0.13 -2.93 0.02 0.00 0.00 0.00 0.00 51.96 48.92 2dfu s ALA 148 Cb -0.15 -3.44 0.59 0.00 0.00 0.00 0.00 23.12 20.11 2dfu s ALA 148 CO 0.02 -2.21 1.95 0.00 0.00 0.00 0.00 175.76 175.52 2dfu h ARG 149 N 8.34 0.92 0.33 0.00 2.47 -1.35 -2.53 114.38 122.56 2dfu h ARG 149 Ca -0.07 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2dfu h ARG 149 Cb 1.07 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2dfu h ARG 149 CO 0.90 0.61 -0.16 0.38 0.56 0.00 0.00 179.97 182.26 2dfu h ASP 150 N 0.95 -0.38 0.35 7.04 3.04 -1.93 -2.92 116.42 122.57 2dfu h ASP 150 Ca 0.33 -0.15 -0.02 0.00 -3.24 0.00 0.00 57.03 53.96 2dfu h ASP 150 Cb 0.12 0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 38.50 2dfu h ASP 150 CO -0.11 -0.04 -0.09 -0.37 -2.04 0.00 0.00 179.24 176.58 2dfu h VAL 151 N -0.74 0.50 0.00 4.15 -1.51 -1.88 -1.52 116.25 115.24 2dfu h VAL 151 Ca -0.05 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 2dfu h VAL 151 Cb 0.50 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2dfu h VAL 151 CO 0.08 0.09 -0.12 -0.61 -1.23 0.00 0.00 177.57 175.78 2dfu h GLN 152 N 0.00 0.00 0.05 5.19 4.15 -1.27 -0.44 115.11 122.79 2dfu h GLN 152 Ca -0.00 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.13 2dfu h GLN 152 Cb 0.29 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 2dfu h GLN 152 CO 0.01 0.12 -1.55 0.87 -1.93 0.00 0.00 178.83 176.35 2dfu h LYS 153 N 0.00 0.10 0.08 1.69 1.57 -1.15 -3.41 116.57 115.44 2dfu h LYS 153 Ca -0.00 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 58.26 2dfu h LYS 153 Cb 0.22 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2dfu h LYS 153 CO 0.01 0.84 -1.94 0.36 -0.57 0.00 0.00 179.45 178.16 2dfu n LYS 154 N -3.27 0.70 -0.58 3.15 2.85 -1.02 -5.00 118.16 115.00 2dfu n LYS 154 Ca -0.15 0.31 -0.30 0.00 -1.05 0.00 0.00 58.31 57.12 2dfu n LYS 154 Cb 1.03 -1.68 0.21 0.00 -0.65 0.00 0.00 35.03 33.94 2dfu n LYS 154 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dfu n ASP 155 N -3.69 -1.60 -0.04 -5.58 8.00 -0.21 -4.94 116.55 108.49 2dfu n ASP 155 Ca -0.35 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.02 2dfu n ASP 155 Cb 0.96 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2dfu n ASP 155 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2dfu h LEU 156 N -2.32 0.23 -8.65 0.64 5.85 -1.94 -3.46 115.31 105.66 2dfu h LEU 156 Ca -0.55 -0.26 -0.27 0.00 0.84 0.00 0.00 57.88 57.64 2dfu h LEU 156 Cb 1.32 -0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 2dfu h LEU 156 CO 0.44 0.44 -0.64 -1.10 -0.34 0.00 0.00 178.44 177.24 2dfu s GLN 157 N -5.16 1.17 0.00 1.25 -1.52 -1.26 -5.05 119.66 109.09 2dfu s GLN 157 Ca -0.14 -1.59 0.00 0.00 -1.95 0.00 0.00 55.36 51.68 2dfu s GLN 157 Cb 0.06 -0.01 0.00 0.00 -0.22 0.00 0.00 33.01 32.83 2dfu s GLN 157 CO 0.71 -0.27 1.51 0.91 -0.25 0.00 0.00 175.29 177.90 2dfu n TRP 158 N -0.27 0.00 0.33 0.91 8.01 -1.26 -4.50 117.44 120.66 2dfu n TRP 158 Ca -0.03 -0.76 -0.14 0.00 -1.31 0.00 0.00 57.50 55.26 2dfu n TRP 158 Cb 0.65 -0.41 -0.07 0.00 -2.01 0.00 0.00 31.31 29.47 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 0.94 0.11 0.00 -0.99 2.07 -1.96 -1.45 116.25 114.97 2dfu h VAL 159 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2dfu h VAL 159 Cb 0.85 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2dfu h VAL 159 CO 0.00 0.02 -0.09 -2.11 0.02 0.00 0.00 177.57 175.41 2dfu n ARG 160 N -5.37 0.14 0.05 1.57 1.85 -1.26 0.28 116.66 113.92 2dfu n ARG 160 Ca -0.12 0.10 -0.08 0.00 -1.00 0.00 0.00 57.85 56.75 2dfu n ARG 160 Cb 0.36 -1.65 0.06 0.00 -1.05 0.00 0.00 32.46 30.18 2dfu n ARG 160 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dfu h ALA 161 N 2.75 0.68 0.00 2.89 0.00 -1.81 -3.36 119.26 120.41 2dfu h ALA 161 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2dfu h ALA 161 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dfu h ALA 161 CO 0.00 0.75 -0.92 1.63 0.00 0.00 0.00 179.25 180.71 2dfu n LYS 162 N -3.86 1.03 -0.52 0.00 4.76 -0.55 -0.85 118.16 118.17 2dfu n LYS 162 Ca -0.04 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.45 2dfu n LYS 162 Cb 0.67 -0.96 0.22 0.00 -1.84 0.00 0.00 35.03 33.12 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 -1.47 3.21 -4.77 4.39 2.88 0.14 -4.78 113.62 113.22 2dfu n SER 163 Ca 0.00 -3.29 -0.31 0.00 -1.33 0.00 0.00 58.87 53.93 2dfu n SER 163 Cb 0.08 -0.56 0.08 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 -2.98 2.35 0.27 -1.46 0.00 -1.24 -4.56 121.76 114.14 2dfu s ALA 164 Ca 0.42 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 2dfu s ALA 164 Cb 0.36 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 2dfu s ALA 164 CO 0.05 -1.59 1.15 -0.25 0.00 0.00 0.00 175.76 175.12 2dfu n ASP 165 N -3.23 1.83 -0.76 0.00 8.00 -1.26 -1.80 116.55 119.33 2dfu n ASP 165 Ca 0.09 1.17 -0.10 0.00 0.71 0.00 0.00 54.79 56.67 2dfu n ASP 165 Cb 0.53 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.25 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 1.07 -1.36 0.00 -1.24 4.76 -0.99 -4.83 118.16 115.58 2dfu n LYS 166 Ca 0.10 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2dfu n LYS 166 Cb 0.31 -5.02 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 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 -2.38 0.00 -3.14 2.13 3.01 -0.61 -4.31 117.46 112.16 2dfu n PHE 167 Ca -0.10 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.16 2dfu n PHE 167 Cb 0.49 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.26 -0.91 -4.76 4.37 7.94 0.38 -1.98 117.00 121.77 2dfu n LEU 168 Ca 0.00 -4.18 -0.41 0.00 -1.11 0.00 0.00 56.01 50.31 2dfu n LEU 168 Cb 0.12 0.66 -0.01 0.00 0.53 0.00 0.00 43.42 44.71 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 -0.28 4.20 -0.07 1.96 0.02 -1.23 -1.90 135.00 137.69 2dfu s PRO 169 Ca 0.33 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.76 2dfu s PRO 169 Cb 0.12 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.65 2dfu s PRO 169 CO -0.15 -0.45 0.16 -1.17 -0.33 0.00 0.00 177.00 175.06 2dfu s LEU 170 N -1.33 0.62 0.00 -5.54 2.96 -0.97 -2.54 118.68 111.87 2dfu s LEU 170 Ca 0.55 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2dfu s LEU 170 Cb -0.44 0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.67 2dfu s LEU 170 CO 0.53 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 176.02 2dfu n GLY 171 N 4.28 -0.10 0.23 7.98 0.00 -0.60 -3.99 105.19 112.99 2dfu n GLY 171 Ca -0.25 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.69 1.61 0.13 -1.85 -2.38 132.00 126.81 2dfu h PRO 172 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 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 0.09 0.46 1.67 -0.23 0.00 0.00 178.00 179.99 2dfu s TRP 173 N -3.39 0.06 0.03 1.56 -2.14 -1.26 -4.73 118.94 109.07 2dfu s TRP 173 Ca 0.04 -0.55 0.05 0.00 2.66 0.00 0.00 56.10 58.30 2dfu s TRP 173 Cb 0.07 0.74 -0.03 0.00 -3.10 0.00 0.00 33.47 31.15 2dfu s TRP 173 CO 0.63 -1.15 -0.11 -0.48 -2.66 0.00 0.00 176.95 173.18 2dfu s LEU 174 N -3.24 2.95 -0.21 -4.66 0.05 0.15 -4.40 118.68 109.33 2dfu s LEU 174 Ca 0.19 -0.27 -0.09 0.00 0.05 0.00 0.00 54.13 54.01 2dfu s LEU 174 Cb -0.03 -1.71 -0.04 0.00 -2.05 0.00 0.00 46.19 42.35 2dfu s LEU 174 CO 0.07 0.26 0.10 -0.70 -0.55 0.00 0.00 176.35 175.53 2dfu s GLU 175 N -1.51 3.98 0.24 1.48 2.56 0.15 -0.32 118.70 125.29 2dfu s GLU 175 Ca 0.17 -0.33 0.18 0.00 0.00 0.00 0.00 54.97 54.99 2dfu s GLU 175 Cb -0.11 -3.34 0.05 0.00 2.00 0.00 0.00 34.13 32.73 2dfu s GLU 175 CO 0.07 0.16 1.26 1.79 -0.56 0.00 0.00 175.26 177.98 2dfu h THR 176 N 4.98 0.52 -3.59 -1.70 1.35 -1.42 0.18 112.91 113.23 2dfu h THR 176 Ca -0.38 -1.81 -0.69 0.00 -0.55 0.00 0.00 66.41 62.98 2dfu h THR 176 Cb 1.17 2.14 -0.33 0.00 -1.73 0.00 0.00 68.15 69.40 2dfu h THR 176 CO 0.68 0.30 -0.59 -0.62 -0.25 0.00 0.00 175.52 175.03 2dfu s ASP 177 N -6.11 5.19 -0.01 5.36 2.15 -1.26 -4.80 116.67 117.19 2dfu s ASP 177 Ca 0.02 -1.65 -0.28 0.00 0.43 0.00 0.00 52.55 51.07 2dfu s ASP 177 Cb 0.08 -1.81 0.09 0.00 -0.30 0.00 0.00 42.92 40.97 2dfu s ASP 177 CO 0.76 -0.43 0.76 -0.22 -0.17 0.00 0.00 175.17 175.87 2dfu s LEU 178 N 1.23 -0.52 -0.49 -1.34 2.96 -1.26 -4.85 118.68 114.41 2dfu s LEU 178 Ca 0.03 0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.16 2dfu s LEU 178 Cb -0.21 2.32 0.12 0.00 0.50 0.00 0.00 46.19 48.92 2dfu s LEU 178 CO -0.02 -0.65 0.39 0.21 -1.32 0.00 0.00 176.35 174.96 2dfu s ASN 179 N -1.82 5.87 0.56 3.68 3.84 -1.26 -4.96 114.94 120.84 2dfu s ASN 179 Ca -0.03 -1.81 0.26 0.00 0.21 0.00 0.00 52.86 51.49 2dfu s ASN 179 Cb -0.01 -2.08 1.50 0.00 -0.55 0.00 0.00 41.25 40.12 2dfu s ASN 179 CO -0.01 -0.73 2.06 1.55 -2.79 0.00 0.00 177.10 177.18 2dfu h PRO 180 N 8.59 0.00 -0.58 0.43 0.13 -1.99 0.52 132.00 139.09 2dfu h PRO 180 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2dfu h PRO 180 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2dfu h PRO 180 CO 0.91 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.72 2dfu n GLN 181 N -4.10 2.46 -3.10 0.86 1.13 -1.26 -4.42 117.38 108.95 2dfu n GLN 181 Ca 0.04 -2.09 -0.20 0.00 -1.94 0.00 0.00 57.00 52.81 2dfu n GLN 181 Cb 0.41 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 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 1.12 1.74 -4.00 1.08 2.03 0.17 -2.61 116.55 116.09 2dfu n ASP 182 Ca 0.19 -3.16 -0.09 0.00 0.52 0.00 0.00 54.79 52.25 2dfu n ASP 182 Cb 0.52 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.96 0.00 0.04 5.18 -1.32 -1.26 -4.86 115.64 110.46 2dfu s THR 183 Ca 0.42 -1.41 0.07 0.00 -1.21 0.00 0.00 61.69 59.55 2dfu s THR 183 Cb 0.34 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2dfu s THR 183 CO -0.09 -0.02 -0.17 0.26 -2.21 0.00 0.00 174.62 172.39 2dfu s TRP 184 N -4.02 2.59 -0.21 9.09 0.52 -1.26 -0.39 118.94 125.27 2dfu s TRP 184 Ca 0.22 -0.24 -0.00 0.00 0.02 0.00 0.00 56.10 56.10 2dfu s TRP 184 Cb -0.00 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2dfu s TRP 184 CO 0.08 0.27 -0.13 0.08 0.02 0.00 0.00 176.95 177.27 2dfu s VAL 185 N -0.94 2.52 -0.06 4.03 1.01 -0.10 -2.37 120.40 124.49 2dfu s VAL 185 Ca 0.15 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2dfu s VAL 185 Cb -0.11 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2dfu s VAL 185 CO 0.06 0.41 -0.15 -0.13 0.00 0.00 0.00 175.10 175.28 2dfu s ARG 186 N 1.33 1.93 -0.12 2.72 0.52 -0.12 -1.48 118.95 123.73 2dfu s ARG 186 Ca 0.03 -0.54 -0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2dfu s ARG 186 Cb -0.14 -1.58 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 2dfu s ARG 186 CO -0.09 0.11 -0.11 0.99 0.02 0.00 0.00 175.30 176.22 2dfu s THR 187 N 0.44 3.23 -0.06 0.02 2.01 -0.55 -0.03 115.64 120.70 2dfu s THR 187 Ca -0.12 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2dfu s THR 187 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2dfu s THR 187 CO 0.04 0.54 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.98 2dfu s TYR 188 N 0.10 2.13 -0.16 4.92 1.51 0.89 -0.08 117.35 126.67 2dfu s TYR 188 Ca -0.05 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 2dfu s TYR 188 Cb -0.14 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2dfu s TYR 188 CO 0.04 -0.21 -0.15 0.08 -1.11 0.00 0.00 175.55 174.20 2dfu s VAL 189 N -0.02 1.65 -1.43 0.71 1.01 0.02 -1.15 120.40 121.18 2dfu s VAL 189 Ca -0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2dfu s VAL 189 Cb -0.13 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.75 2dfu s VAL 189 CO 0.03 0.45 0.92 0.59 0.00 0.00 0.00 175.10 177.10 2dfu n ASN 190 N 4.74 -3.75 0.00 3.32 3.02 -0.07 -1.73 115.26 120.79 2dfu n ASN 190 Ca -0.17 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2dfu n ASN 190 Cb 0.50 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 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 -1.68 1.19 3.40 7.41 0.00 -1.26 -5.03 105.19 109.22 2dfu n GLY 191 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.84 3.09 0.13 2.61 2.01 -0.71 -5.07 115.64 113.86 2dfu s THR 192 Ca 0.00 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.02 2dfu s THR 192 Cb 0.00 -2.27 -0.10 0.00 0.01 0.00 0.00 72.50 70.14 2dfu s THR 192 CO 0.00 0.54 1.68 -0.22 -0.69 0.00 0.00 174.62 175.93 2dfu s LEU 193 N 0.07 4.38 0.00 4.42 2.96 -1.26 -0.80 118.68 128.44 2dfu s LEU 193 Ca -0.05 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 2dfu s LEU 193 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2dfu s LEU 193 CO 0.04 -0.91 0.00 0.54 -1.32 0.00 0.00 176.35 174.71 2dfu n ARG 194 N 4.83 3.71 -4.13 1.98 5.12 0.89 -4.92 116.66 124.14 2dfu n ARG 194 Ca 0.16 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.93 2dfu n ARG 194 Cb 0.38 -1.00 -0.13 0.00 -1.16 0.00 0.00 32.46 30.55 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 -1.99 0.48 -0.24 5.56 -0.21 -1.10 -4.22 119.66 117.94 2dfu s GLN 195 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 55.36 54.92 2dfu s GLN 195 Cb 0.00 -0.38 0.12 0.00 1.00 0.00 0.00 33.01 33.75 2dfu s GLN 195 CO 0.00 0.09 0.44 -2.00 -2.12 0.00 0.00 175.29 171.71 2dfu s GLU 196 N -0.69 0.38 0.00 2.91 2.12 -1.25 -1.49 118.70 120.69 2dfu s GLU 196 Ca -0.03 0.88 -0.00 0.00 0.36 0.00 0.00 54.97 56.18 2dfu s GLU 196 Cb -0.05 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 2dfu s GLU 196 CO 0.00 -0.44 -0.01 0.20 -0.54 0.00 0.00 175.26 174.47 2dfu s GLY 197 N 2.64 0.07 -0.19 -1.50 0.00 -0.55 -4.75 107.32 103.04 2dfu s GLY 197 Ca 0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 2dfu s GLY 197 CO -0.15 -0.18 0.27 -1.58 0.00 0.00 0.00 173.10 171.46 2dfu s HIS 198 N -0.41 3.41 -0.72 1.90 2.46 -1.26 -0.92 115.29 119.75 2dfu s HIS 198 Ca -0.04 0.51 0.13 0.00 0.47 0.00 0.00 55.06 56.12 2dfu s HIS 198 Cb -0.03 -2.35 0.62 0.00 -0.13 0.00 0.00 32.58 30.69 2dfu s HIS 198 CO -0.00 0.16 1.41 0.25 -2.47 0.00 0.00 174.74 174.09 2dfu n THR 199 N 3.86 1.29 0.51 0.89 -2.24 0.48 -1.39 114.28 117.68 2dfu n THR 199 Ca -0.12 0.43 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 2dfu n THR 199 Cb 0.52 -1.35 0.46 0.00 -2.10 0.00 0.00 70.33 67.85 2dfu n THR 199 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dfu n SER 200 N -1.81 0.59 -0.92 3.42 3.41 -1.07 -2.31 113.62 114.92 2dfu n SER 200 Ca 0.01 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 2dfu n SER 200 Cb 0.10 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.12 2.22 -2.10 4.33 1.13 -0.48 -4.94 117.38 115.42 2dfu n GLN 201 Ca 0.03 -1.74 -0.41 0.00 -1.94 0.00 0.00 57.00 52.95 2dfu n GLN 201 Cb 0.28 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.19 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 -1.43 4.33 0.10 -1.09 -1.94 -0.98 -2.99 119.30 115.30 2dfu s MET 202 Ca 0.32 2.21 -0.16 0.00 -1.71 0.00 0.00 55.69 56.35 2dfu s MET 202 Cb 0.17 -3.10 -0.07 0.00 2.01 0.00 0.00 34.83 33.84 2dfu s MET 202 CO 0.21 -0.27 1.49 0.82 -0.01 0.00 0.00 175.02 177.26 2dfu h ILE 203 N 3.32 1.28 -3.28 2.53 2.04 -1.15 -3.41 117.51 118.84 2dfu h ILE 203 Ca -0.47 -1.12 -0.67 0.00 1.00 0.00 0.00 64.86 63.59 2dfu h ILE 203 Cb 1.22 1.39 -0.32 0.00 -0.74 0.00 0.00 36.82 38.36 2dfu h ILE 203 CO 0.71 0.36 -0.85 -0.36 0.00 0.00 0.00 178.15 178.01 2dfu s PHE 204 N -4.76 2.66 0.88 1.37 0.08 -1.26 -5.12 117.98 111.83 2dfu s PHE 204 Ca -0.13 -1.11 -0.12 0.00 0.12 0.00 0.00 56.93 55.69 2dfu s PHE 204 Cb 0.08 -1.79 0.12 0.00 -0.57 0.00 0.00 43.02 40.86 2dfu s PHE 204 CO 0.78 -0.48 1.09 -1.54 -0.10 0.00 0.00 175.22 174.98 2dfu s SER 205 N 0.59 3.67 0.19 1.36 1.04 -1.26 -4.80 113.70 114.49 2dfu s SER 205 Ca -0.12 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.62 2dfu s SER 205 Cb -0.16 -2.12 0.11 0.00 0.10 0.00 0.00 66.02 63.95 2dfu s SER 205 CO 0.03 -2.51 1.85 0.58 0.98 0.00 0.00 173.24 174.18 2dfu h VAL 206 N -1.46 1.15 -0.91 5.02 2.07 -1.95 -0.45 116.25 119.72 2dfu h VAL 206 Ca -0.49 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2dfu h VAL 206 Cb 1.28 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2dfu h VAL 206 CO 0.56 0.15 0.60 0.00 0.02 0.00 0.00 177.57 178.90 2dfu h ALA 207 N 1.24 1.35 -0.23 1.67 0.00 -1.92 -1.38 119.26 119.99 2dfu h ALA 207 Ca 0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2dfu h ALA 207 Cb -0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.33 2dfu h ALA 207 CO -0.06 0.60 -0.53 0.93 0.00 0.00 0.00 179.25 180.20 2dfu h GLU 208 N 1.23 0.65 0.03 0.00 5.08 -1.70 -2.00 114.58 117.87 2dfu h GLU 208 Ca 0.33 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2dfu h GLU 208 Cb -0.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2dfu h GLU 208 CO -0.07 1.02 -0.01 0.82 -1.00 0.00 0.00 179.01 179.76 2dfu h ILE 209 N 0.51 1.13 -0.65 3.13 2.04 -0.61 0.48 117.51 123.55 2dfu h ILE 209 Ca 0.02 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2dfu h ILE 209 Cb 1.08 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 2dfu h ILE 209 CO 0.10 0.13 0.38 -0.07 0.00 0.00 0.00 178.15 178.69 2dfu h LEU 210 N -0.25 0.78 -0.06 1.44 3.38 -1.29 -1.18 115.31 118.13 2dfu h LEU 210 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dfu h LEU 210 Cb 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dfu h LEU 210 CO 0.01 0.62 0.04 -1.28 0.09 0.00 0.00 178.44 177.92 2dfu h SER 211 N 0.88 0.07 0.05 -0.43 0.87 -1.27 -1.32 113.55 112.41 2dfu h SER 211 Ca 0.23 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2dfu h SER 211 Cb -0.01 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2dfu h SER 211 CO -0.04 0.08 -0.21 0.22 -0.53 0.00 0.00 176.83 176.35 2dfu h TYR 212 N 0.05 -0.54 -0.65 2.24 3.20 -0.62 -2.39 116.97 118.25 2dfu h TYR 212 Ca 0.02 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.00 2dfu h TYR 212 Cb 0.03 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 2dfu h TYR 212 CO -0.06 -0.29 0.29 0.82 -1.64 0.00 0.00 178.16 177.27 2dfu h ILE 213 N -0.36 0.81 0.00 1.81 2.04 -1.10 -1.86 117.51 118.85 2dfu h ILE 213 Ca 0.04 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2dfu h ILE 213 Cb 0.41 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2dfu h ILE 213 CO -0.15 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.55 2dfu n SER 214 N -4.93 0.34 0.14 1.72 3.41 -0.51 -0.83 113.62 112.96 2dfu n SER 214 Ca 0.10 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2dfu n SER 214 Cb 0.27 -0.68 0.46 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.12 0.24 112.91 120.04 2dfu h THR 215 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2dfu h THR 215 Cb 0.12 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 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 -2.37 0.00 -3.90 4.73 1.16 -0.97 -4.87 117.46 111.24 2dfu n PHE 216 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 2dfu n PHE 216 Cb 0.32 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.02 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 1.51 -0.00 3.97 0.00 -0.01 -5.11 119.30 119.66 2dfu s MET 217 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 55.69 55.05 2dfu s MET 217 Cb 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 34.83 33.06 2dfu s MET 217 CO 0.00 -0.31 1.26 0.99 0.00 0.00 0.00 175.02 176.96 2dfu s THR 218 N 1.68 4.01 -0.15 10.11 2.01 -1.26 -3.64 115.64 128.40 2dfu s THR 218 Ca 0.04 1.39 -0.17 0.00 0.31 0.00 0.00 61.69 63.26 2dfu s THR 218 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2dfu s THR 218 CO -0.08 0.03 0.43 -0.76 -0.69 0.00 0.00 174.62 173.55 2dfu s LEU 219 N 1.92 4.23 0.38 4.42 1.43 -0.16 -4.93 118.68 125.97 2dfu s LEU 219 Ca 0.59 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2dfu s LEU 219 Cb -0.28 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2dfu s LEU 219 CO 0.25 -0.02 0.61 -1.61 0.23 0.00 0.00 176.35 175.82 2dfu s GLU 220 N 0.84 3.50 0.33 1.70 0.41 -1.26 -0.70 118.70 123.52 2dfu s GLU 220 Ca 0.22 -0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.30 2dfu s GLU 220 Cb -0.15 -2.58 -0.12 0.00 -1.78 0.00 0.00 34.13 29.50 2dfu s GLU 220 CO 0.08 0.05 1.48 -2.30 -0.49 0.00 0.00 175.26 174.08 2dfu n PRO 221 N -1.92 2.51 -0.96 0.39 -0.02 -1.26 -1.53 135.00 132.21 2dfu n PRO 221 Ca -0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2dfu n PRO 221 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 1.26 0.28 -4.77 2.45 4.77 0.23 -4.78 117.00 116.44 2dfu n LEU 222 Ca 0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 2dfu n LEU 222 Cb 0.37 -0.86 0.05 0.00 -2.33 0.00 0.00 43.42 40.65 2dfu n LEU 222 CO 0.63 -0.23 0.73 -1.81 -1.33 0.00 0.00 177.39 175.38 2dfu s ASP 223 N -2.21 5.03 -0.05 -1.43 1.01 -0.58 -2.81 116.67 115.62 2dfu s ASP 223 Ca 0.00 1.95 0.03 0.00 0.71 0.00 0.00 52.55 55.25 2dfu s ASP 223 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2dfu s ASP 223 CO 0.00 -1.68 -0.14 -0.69 0.21 0.00 0.00 175.17 172.87 2dfu s VAL 224 N -2.46 3.10 -0.08 -1.27 1.01 -1.16 -1.20 120.40 118.34 2dfu s VAL 224 Ca 0.66 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2dfu s VAL 224 Cb -0.20 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2dfu s VAL 224 CO 0.44 0.59 -0.11 -0.69 0.00 0.00 0.00 175.10 175.33 2dfu s VAL 225 N -0.71 1.14 -0.05 2.92 1.01 0.02 -1.42 120.40 123.31 2dfu s VAL 225 Ca 0.11 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2dfu s VAL 225 Cb -0.11 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2dfu s VAL 225 CO 0.01 0.36 0.31 -0.76 0.00 0.00 0.00 175.10 175.02 2dfu s LEU 226 N 0.94 4.44 -0.32 3.92 1.43 0.01 -0.13 118.68 128.97 2dfu s LEU 226 Ca -0.09 0.78 0.10 0.00 -1.03 0.00 0.00 54.13 53.89 2dfu s LEU 226 Cb -0.15 -2.40 0.69 0.00 0.03 0.00 0.00 46.19 44.36 2dfu s LEU 226 CO 0.00 0.35 1.74 0.35 0.23 0.00 0.00 176.35 179.03 2dfu n THR 227 N 1.91 2.86 0.00 5.49 -2.24 -0.94 -2.03 114.28 119.32 2dfu n THR 227 Ca -0.16 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 2dfu n THR 227 Cb 0.53 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.43 -0.45 3.15 3.38 0.00 -1.26 -4.81 105.19 104.78 2dfu n GLY 228 Ca 0.40 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.18 1.12 0.65 2.61 -1.32 -1.26 -4.38 115.64 110.88 2dfu s THR 229 Ca 0.00 -1.08 -0.11 0.00 -1.21 0.00 0.00 61.69 59.29 2dfu s THR 229 Cb 0.00 -1.03 0.16 0.00 -1.51 0.00 0.00 72.50 70.12 2dfu s THR 229 CO 0.00 -0.05 0.60 -2.65 -2.21 0.00 0.00 174.62 170.31 2dfu n PRO 230 N 1.73 -2.05 -1.53 7.08 -0.02 -1.26 -4.52 135.00 134.43 2dfu n PRO 230 Ca -0.19 -0.96 -0.30 0.00 -2.02 0.00 0.00 63.50 60.04 2dfu n PRO 230 Cb 0.54 -0.87 0.11 0.00 -0.02 0.00 0.00 33.50 33.26 2dfu n PRO 230 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2dfu s GLU 231 N -4.36 1.74 0.00 -0.52 2.02 -1.26 -4.43 118.70 111.89 2dfu s GLU 231 Ca 0.39 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2dfu s GLU 231 Cb -0.04 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.31 2dfu s GLU 231 CO 0.29 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 174.15 2dfu n GLY 232 N -2.09 1.04 3.65 -1.39 0.00 -1.26 -4.18 105.19 100.95 2dfu n GLY 232 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2dfu n GLY 232 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dfu s VAL 233 N -2.00 3.11 0.41 1.61 1.01 -1.26 -4.63 120.40 118.65 2dfu s VAL 233 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2dfu s VAL 233 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2dfu s VAL 233 CO 0.00 -0.02 0.11 -0.83 0.00 0.00 0.00 175.10 174.35 2dfu s GLY 234 N 4.98 2.60 0.31 4.51 0.00 -1.26 -4.98 107.32 113.48 2dfu s GLY 234 Ca 0.88 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 44.11 2dfu s GLY 234 CO 0.39 -1.87 0.93 0.00 0.00 0.00 0.00 173.10 172.55 2dfu s ALA 235 N -3.18 3.24 0.30 3.20 0.00 -1.26 -2.54 121.76 121.51 2dfu s ALA 235 Ca 0.23 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2dfu s ALA 235 Cb 0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2dfu s ALA 235 CO 0.13 0.19 0.32 -0.51 0.00 0.00 0.00 175.76 175.89 2dfu s LEU 236 N -1.95 3.84 0.02 0.00 1.43 0.97 -4.90 118.68 118.10 2dfu s LEU 236 Ca 0.49 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2dfu s LEU 236 Cb -0.19 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 2dfu s LEU 236 CO 0.24 -0.24 0.07 -0.13 0.23 0.00 0.00 176.35 176.52 2dfu s ARG 237 N -3.99 0.48 0.26 1.70 0.52 -1.26 -4.74 118.95 111.92 2dfu s ARG 237 Ca 0.39 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2dfu s ARG 237 Cb -0.08 0.19 -0.14 0.00 0.52 0.00 0.00 34.95 35.44 2dfu s ARG 237 CO 0.27 -0.11 1.21 -2.30 0.02 0.00 0.00 175.30 174.40 2dfu n PRO 238 N 1.18 1.67 0.00 3.54 -0.02 -1.26 -1.42 135.00 138.68 2dfu n PRO 238 Ca -0.21 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2dfu n PRO 238 Cb 0.57 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.62 3.76 -1.23 0.00 0.78 -4.98 105.19 106.69 2dfu n GLY 239 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.79 6.40 -0.22 1.61 1.01 -0.51 -4.73 116.67 117.43 2dfu s ASP 240 Ca 0.00 2.94 -0.07 0.00 0.71 0.00 0.00 52.55 56.14 2dfu s ASP 240 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2dfu s ASP 240 CO 0.00 -0.88 0.06 -0.13 0.21 0.00 0.00 175.17 174.43 2dfu s ARG 241 N -0.86 3.73 -0.06 8.23 0.52 -1.26 -1.22 118.95 128.03 2dfu s ARG 241 Ca 0.60 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 2dfu s ARG 241 Cb -0.47 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2dfu s ARG 241 CO 0.51 -0.03 -0.16 -0.51 0.02 0.00 0.00 175.30 175.13 2dfu s LEU 242 N 1.18 2.60 -0.07 2.53 1.02 0.01 -0.89 118.68 125.05 2dfu s LEU 242 Ca 0.04 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 2dfu s LEU 242 Cb -0.14 -1.53 0.03 0.00 0.02 0.00 0.00 46.19 44.57 2dfu s LEU 242 CO 0.03 0.30 0.00 -0.70 0.02 0.00 0.00 176.35 176.00 2dfu s GLU 243 N -0.48 0.61 -0.27 1.70 2.12 -0.30 -1.46 118.70 120.62 2dfu s GLU 243 Ca 0.06 0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.46 2dfu s GLU 243 Cb -0.12 -0.99 0.03 0.00 0.26 0.00 0.00 34.13 33.31 2dfu s GLU 243 CO 0.02 -0.31 -0.02 0.08 -0.54 0.00 0.00 175.26 174.49 2dfu s VAL 244 N 1.97 3.12 -0.18 3.70 1.01 0.03 -0.07 120.40 129.98 2dfu s VAL 244 Ca 0.05 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2dfu s VAL 244 Cb -0.12 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2dfu s VAL 244 CO -0.05 0.10 0.05 0.00 0.00 0.00 0.00 175.10 175.20 2dfu s ALA 245 N 1.34 3.33 -0.18 5.51 0.00 0.95 -0.74 121.76 131.98 2dfu s ALA 245 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2dfu s ALA 245 Cb -0.17 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2dfu s ALA 245 CO -0.02 0.14 -0.16 0.08 0.00 0.00 0.00 175.76 175.79 2dfu s VAL 246 N 0.46 1.84 0.26 0.00 1.01 -0.53 -0.95 120.40 122.49 2dfu s VAL 246 Ca 0.02 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 2dfu s VAL 246 Cb -0.13 -1.73 -0.13 0.00 0.00 0.00 0.00 36.38 34.40 2dfu s VAL 246 CO 0.01 0.43 1.52 -0.62 0.00 0.00 0.00 175.10 176.45 2dfu n GLU 247 N 4.67 2.39 -0.04 2.72 1.02 -1.00 -1.50 120.64 128.91 2dfu n GLU 247 Ca -0.18 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2dfu n GLU 247 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 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 2.36 2.86 0.55 0.62 0.00 -1.26 -4.70 105.19 105.62 2dfu n GLY 248 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 0.61 -3.55 1.61 0.31 -0.56 -4.88 118.33 109.86 2dfu n VAL 249 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2dfu n VAL 249 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 2.52 -1.52 3.15 2.92 0.00 -0.77 -4.77 105.19 106.73 2dfu n GLY 250 Ca -0.03 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.89 1.94 -0.20 2.61 2.01 -1.26 -1.45 115.64 116.40 2dfu s THR 251 Ca 0.00 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 2dfu s THR 251 Cb 0.00 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2dfu s THR 251 CO 0.00 0.53 0.50 -0.22 -0.69 0.00 0.00 174.62 174.73 2dfu s LEU 252 N 0.81 4.14 -0.16 4.42 2.96 0.08 -4.24 118.68 126.69 2dfu s LEU 252 Ca -0.08 0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2dfu s LEU 252 Cb -0.16 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 2dfu s LEU 252 CO -0.01 -0.17 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.46 2dfu s PHE 253 N 1.60 3.01 0.28 5.38 0.08 -1.26 -0.79 117.98 126.28 2dfu s PHE 253 Ca 0.23 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 2dfu s PHE 253 Cb -0.15 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2dfu s PHE 253 CO 0.09 -0.07 0.50 -0.08 -0.10 0.00 0.00 175.22 175.56 2dfu s THR 254 N 0.42 0.00 0.09 0.64 -1.32 -0.53 -0.57 115.64 114.36 2dfu s THR 254 Ca -0.04 -1.43 -0.22 0.00 -1.21 0.00 0.00 61.69 58.79 2dfu s THR 254 Cb -0.14 -2.38 0.05 0.00 -1.51 0.00 0.00 72.50 68.52 2dfu s THR 254 CO 0.03 0.00 0.52 -1.48 -2.21 0.00 0.00 174.62 171.48 2dfu s LEU 255 N -3.08 -0.13 -0.13 9.08 0.05 -1.26 -0.81 118.68 122.40 2dfu s LEU 255 Ca 0.24 0.06 -0.16 0.00 0.05 0.00 0.00 54.13 54.32 2dfu s LEU 255 Cb -0.01 2.21 -0.04 0.00 -2.05 0.00 0.00 46.19 46.29 2dfu s LEU 255 CO 0.12 -0.80 0.39 -0.63 -0.55 0.00 0.00 176.35 174.88 2dfu s ILE 256 N -2.98 5.23 0.65 1.48 -1.09 -0.36 -0.89 121.20 123.24 2dfu s ILE 256 Ca -0.02 0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2dfu s ILE 256 Cb -0.00 -3.72 0.14 0.00 -1.58 0.00 0.00 42.46 37.29 2dfu s ILE 256 CO -0.06 0.37 0.88 0.61 -1.23 0.00 0.00 174.94 175.52 2dfu n GLY 257 N 3.21 -0.37 3.72 6.18 0.00 0.10 -0.16 105.19 117.88 2dfu n GLY 257 Ca -0.10 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 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 -4.83 2.19 0.24 1.61 0.02 -1.26 -3.59 135.00 129.38 2dfu s PRO 258 Ca 0.54 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 2dfu s PRO 258 Cb -0.02 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 2dfu s PRO 258 CO 0.37 -1.81 1.30 0.21 -0.33 0.00 0.00 177.00 176.74 2dfu s LYS 259 N -3.82 4.39 0.55 5.54 2.20 -1.26 -3.02 119.74 124.32 2dfu s LYS 259 Ca 0.76 2.09 -0.09 0.00 -0.36 0.00 0.00 55.97 58.37 2dfu s LYS 259 Cb -0.30 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2dfu s LYS 259 CO 0.44 -0.21 0.92 -1.21 -0.36 0.00 0.00 175.35 174.93 2dfu s GLU 260 N -0.63 3.60 0.33 4.03 2.02 0.43 -4.93 118.70 123.56 2dfu s GLU 260 Ca 0.54 0.53 0.02 0.00 0.02 0.00 0.00 54.97 56.09 2dfu s GLU 260 Cb -0.37 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.67 2dfu s GLU 260 CO 0.42 -0.39 0.18 -0.85 0.02 0.00 0.00 175.26 174.65 2dfu n GLU 261 N -2.43 1.06 -1.30 1.61 0.28 -1.26 -4.15 120.64 114.46 2dfu n GLU 261 Ca 0.04 -2.17 -0.51 0.00 -0.16 0.00 0.00 57.16 54.36 2dfu n GLU 261 Cb 0.54 0.33 -0.07 0.00 1.43 0.00 0.00 31.44 33.68 2dfu n GLU 261 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dfu n ARG 262 N -1.16 0.00 -0.37 3.44 3.00 -1.26 -4.78 116.66 115.53 2dfu n ARG 262 Ca -0.05 0.00 0.29 0.00 -0.01 0.00 0.00 57.85 58.08 2dfu n ARG 262 Cb 0.39 -1.25 0.58 0.00 0.00 0.00 0.00 32.46 32.18 2dfu n ARG 262 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2dfu h PRO 263 N 2.84 0.24 0.00 5.56 0.13 -2.00 -3.53 132.00 135.24 2dfu h PRO 263 Ca -0.41 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dfu h PRO 263 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2dfu h PRO 263 CO 0.60 0.16 0.00 -2.67 -0.23 0.00 0.00 178.00 175.86