#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjm h PRO 19 N 0.00 1.00 -6.63 1.20 0.11 -1.77 -3.43 132.00 122.48 1rjm h PRO 19 Ca 0.00 -0.06 -0.52 0.00 0.11 0.00 0.00 66.00 65.53 1rjm h PRO 19 Cb 0.00 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 30.90 1rjm h PRO 19 CO 0.00 0.66 0.55 0.12 -0.21 0.00 0.00 178.00 179.12 1rjm s PHE 20 N -6.11 3.44 -0.56 0.65 5.36 -1.26 -4.25 117.98 115.26 1rjm s PHE 20 Ca -0.13 1.41 0.04 0.00 -0.96 0.00 0.00 56.93 57.29 1rjm s PHE 20 Cb 0.17 -3.42 0.14 0.00 -0.34 0.00 0.00 43.02 39.57 1rjm s PHE 20 CO 0.79 -1.19 0.33 0.34 -1.46 0.00 0.00 175.22 174.03 1rjm s ASP 21 N 0.31 4.23 0.38 6.13 3.68 -1.26 -4.98 116.67 125.15 1rjm s ASP 21 Ca 0.54 -3.22 0.19 0.00 2.13 0.00 0.00 52.55 52.19 1rjm s ASP 21 Cb -0.32 -1.48 1.12 0.00 -1.45 0.00 0.00 42.92 40.80 1rjm s ASP 21 CO 0.35 -0.19 1.72 0.00 0.13 0.00 0.00 175.17 177.18 1rjm h ALA 22 N 6.15 2.21 0.00 3.66 0.00 -1.95 0.08 119.26 129.41 1rjm h ALA 22 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rjm h ALA 22 Cb 0.85 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1rjm h ALA 22 CO 0.65 -0.70 0.09 0.87 0.00 0.00 0.00 179.25 180.16 1rjm h LYS 23 N 0.36 0.00 -0.01 0.00 1.79 -2.04 -2.01 116.57 114.65 1rjm h LYS 23 Ca 0.66 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1rjm h LYS 23 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1rjm h LYS 23 CO -0.39 0.00 -0.44 0.00 -1.08 0.00 0.00 179.45 177.54 1rjm n ALA 24 N -1.78 3.42 -2.46 3.86 0.00 0.01 -4.92 120.51 118.64 1rjm n ALA 24 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.63 1rjm n ALA 24 Cb 0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 1rjm n ALA 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rjm s TRP 25 N -2.13 2.00 0.02 0.00 0.52 -0.76 -0.78 118.94 117.81 1rjm s TRP 25 Ca 0.13 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.88 1rjm s TRP 25 Cb 0.14 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1rjm s TRP 25 CO 0.49 0.36 -0.14 1.03 0.02 0.00 0.00 176.95 178.70 1rjm s ARG 26 N -2.50 1.05 0.68 4.98 0.52 0.23 -4.85 118.95 119.05 1rjm s ARG 26 Ca 0.15 -0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 1rjm s ARG 26 Cb -0.08 -1.04 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1rjm s ARG 26 CO 0.07 0.27 1.16 -0.51 0.02 0.00 0.00 175.30 176.31 1rjm s LEU 27 N -0.79 3.40 -0.22 2.53 1.43 -1.26 0.13 118.68 123.90 1rjm s LEU 27 Ca 0.04 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.18 1rjm s LEU 27 Cb -0.07 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1rjm s LEU 27 CO 0.01 -1.88 0.42 -0.69 0.23 0.00 0.00 176.35 174.43 1rjm s VAL 28 N -2.08 5.17 0.19 -1.59 1.01 -1.10 -4.69 120.40 117.30 1rjm s VAL 28 Ca 0.71 0.71 -0.33 0.00 0.00 0.00 0.00 61.98 63.08 1rjm s VAL 28 Cb -0.25 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 1rjm s VAL 28 CO 0.41 0.20 1.41 0.47 0.00 0.00 0.00 175.10 177.60 1rjm n ASP 29 N 4.83 2.50 0.00 3.32 8.00 -1.26 -2.61 116.55 131.33 1rjm n ASP 29 Ca -0.08 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1rjm n ASP 29 Cb 0.51 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1rjm n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjm n GLY 30 N 2.54 0.90 1.69 0.44 0.00 -1.26 -4.99 105.19 104.51 1rjm n GLY 30 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1rjm n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rjm n PHE 31 N -2.20 0.54 1.65 1.61 3.01 -1.07 -4.80 117.46 116.20 1rjm n PHE 31 Ca 0.00 -1.22 0.15 0.00 1.01 0.00 0.00 57.45 57.39 1rjm n PHE 31 Cb 0.00 -0.20 0.79 0.00 -0.01 0.00 0.00 39.48 40.06 1rjm n PHE 31 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1rjm n ASP 32 N -0.17 0.18 -0.36 4.37 5.75 -1.26 -3.08 116.55 121.97 1rjm n ASP 32 Ca 0.12 -0.64 0.13 0.00 -0.01 0.00 0.00 54.79 54.40 1rjm n ASP 32 Cb 0.97 -0.12 0.44 0.00 -1.03 0.00 0.00 41.12 41.38 1rjm n ASP 32 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1rjm n ASP 33 N -1.03 1.27 -4.77 -1.12 5.75 -1.26 -4.92 116.55 110.47 1rjm n ASP 33 Ca 0.18 -1.19 -0.40 0.00 -0.01 0.00 0.00 54.79 53.38 1rjm n ASP 33 Cb 0.20 0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 1rjm n ASP 33 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rjm s LEU 34 N -2.26 4.35 0.00 -2.12 1.43 -1.18 -4.95 118.68 113.95 1rjm s LEU 34 Ca 0.31 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1rjm s LEU 34 Cb 0.20 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1rjm s LEU 34 CO 0.43 -0.59 0.00 0.35 0.23 0.00 0.00 176.35 176.77 1rjm n THR 35 N 0.55 0.00 0.85 5.49 -2.24 -1.26 -4.82 114.28 112.85 1rjm n THR 35 Ca 0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1rjm n THR 35 Cb 0.43 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 1rjm n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rjm n ASP 36 N -1.86 1.41 -3.97 3.42 9.92 -1.26 -4.83 116.55 119.37 1rjm n ASP 36 Ca 0.00 -1.21 -0.10 0.00 -0.53 0.00 0.00 54.79 52.95 1rjm n ASP 36 Cb 0.39 0.70 -0.12 0.00 -0.64 0.00 0.00 41.12 41.45 1rjm n ASP 36 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1rjm s ILE 37 N -2.39 0.16 0.10 0.53 -1.09 -1.26 0.77 121.20 118.01 1rjm s ILE 37 Ca 0.12 -0.79 0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1rjm s ILE 37 Cb 0.15 -0.27 -0.04 0.00 -1.58 0.00 0.00 42.46 40.72 1rjm s ILE 37 CO 0.59 -0.40 -0.15 0.42 -1.23 0.00 0.00 174.94 174.17 1rjm s THR 38 N -1.21 3.05 -0.13 2.92 -4.23 -0.36 -4.80 115.64 110.88 1rjm s THR 38 Ca -0.13 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1rjm s THR 38 Cb -0.08 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.42 1rjm s THR 38 CO -0.01 0.16 0.08 -0.47 -0.54 0.00 0.00 174.62 173.84 1rjm s TYR 39 N -1.13 0.18 0.22 3.99 6.04 -1.26 -1.96 117.35 123.44 1rjm s TYR 39 Ca 0.19 -0.13 0.09 0.00 0.04 0.00 0.00 57.07 57.26 1rjm s TYR 39 Cb -0.11 -0.63 -0.05 0.00 -1.04 0.00 0.00 41.96 40.14 1rjm s TYR 39 CO 0.10 -0.40 -0.17 -1.01 -1.54 0.00 0.00 175.55 172.53 1rjm s HIS 40 N 2.14 1.92 -0.08 4.97 3.76 -0.18 -2.71 115.29 125.12 1rjm s HIS 40 Ca 0.03 -0.48 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1rjm s HIS 40 Cb -0.15 -0.88 -0.00 0.00 1.11 0.00 0.00 32.58 32.66 1rjm s HIS 40 CO -0.07 0.47 -0.22 0.50 -0.85 0.00 0.00 174.74 174.57 1rjm s ARG 41 N -3.45 2.57 0.43 1.40 6.06 0.12 -0.81 118.95 125.27 1rjm s ARG 41 Ca 0.24 -0.79 -0.25 0.00 -2.50 0.00 0.00 55.73 52.43 1rjm s ARG 41 Cb -0.03 -2.04 -0.08 0.00 0.06 0.00 0.00 34.95 32.85 1rjm s ARG 41 CO 0.09 0.22 1.33 -1.58 -2.50 0.00 0.00 175.30 172.87 1rjm s HIS 42 N 0.21 2.68 0.57 5.12 5.65 -0.28 -0.60 115.29 128.64 1rjm s HIS 42 Ca -0.12 1.37 0.25 0.00 0.25 0.00 0.00 55.06 56.81 1rjm s HIS 42 Cb -0.16 -3.73 1.65 0.00 -1.18 0.00 0.00 32.58 29.16 1rjm s HIS 42 CO 0.06 -2.36 2.22 -0.39 -0.65 0.00 0.00 174.74 173.62 1rjm h VAL 43 N 2.30 0.67 0.00 0.89 -1.51 -1.29 -3.37 116.25 113.95 1rjm h VAL 43 Ca -0.50 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1rjm h VAL 43 Cb 1.26 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1rjm h VAL 43 CO 0.62 0.00 -0.63 0.47 -1.23 0.00 0.00 177.57 176.79 1rjm n ASP 44 N -4.06 1.30 -4.79 4.19 8.00 -1.26 -5.10 116.55 114.83 1rjm n ASP 44 Ca -0.03 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.11 1rjm n ASP 44 Cb 0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1rjm n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rjm s ASP 45 N -4.30 6.95 -1.00 -2.24 3.68 -1.26 -4.93 116.67 113.57 1rjm s ASP 45 Ca 0.00 1.90 -0.09 0.00 2.13 0.00 0.00 52.55 56.49 1rjm s ASP 45 Cb 0.00 -2.57 -0.07 0.00 -1.45 0.00 0.00 42.92 38.83 1rjm s ASP 45 CO 0.00 -0.35 2.19 0.00 0.13 0.00 0.00 175.17 177.14 1rjm n ALA 46 N -0.05 4.90 -2.75 3.66 0.00 -1.26 -4.33 120.51 120.69 1rjm n ALA 46 Ca 0.05 -2.42 -0.16 0.00 0.00 0.00 0.00 53.44 50.90 1rjm n ALA 46 Cb 0.51 -3.15 -0.14 0.00 0.00 0.00 0.00 19.45 16.67 1rjm n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rjm s THR 47 N 3.46 0.58 0.23 0.00 2.01 -1.26 -1.08 115.64 119.58 1rjm s THR 47 Ca 0.46 -0.53 0.12 0.00 0.31 0.00 0.00 61.69 62.05 1rjm s THR 47 Cb 0.12 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1rjm s THR 47 CO -0.02 0.02 -0.22 0.68 -0.69 0.00 0.00 174.62 174.39 1rjm s VAL 48 N -0.49 2.40 -0.21 3.82 -7.23 -0.71 -1.12 120.40 116.86 1rjm s VAL 48 Ca -0.00 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 57.99 1rjm s VAL 48 Cb -0.05 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.73 1rjm s VAL 48 CO 0.00 -0.25 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.80 1rjm s ARG 49 N -3.05 2.50 -0.19 4.82 3.52 0.01 -0.66 118.95 125.91 1rjm s ARG 49 Ca 0.25 -0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1rjm s ARG 49 Cb -0.07 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.70 1rjm s ARG 49 CO 0.12 -0.38 -0.09 0.08 -0.81 0.00 0.00 175.30 174.22 1rjm s VAL 50 N 1.26 3.06 0.01 7.11 1.01 0.09 -1.01 120.40 131.94 1rjm s VAL 50 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1rjm s VAL 50 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1rjm s VAL 50 CO -0.09 0.47 -0.02 0.00 0.00 0.00 0.00 175.10 175.46 1rjm s ALA 51 N 1.16 0.10 0.24 5.51 0.00 -0.83 -1.19 121.76 126.75 1rjm s ALA 51 Ca 0.01 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1rjm s ALA 51 Cb -0.14 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 1rjm s ALA 51 CO -0.03 -0.10 1.30 -0.06 0.00 0.00 0.00 175.76 176.87 1rjm s PHE 52 N -0.97 3.22 -0.45 0.00 0.08 -0.81 -1.22 117.98 117.84 1rjm s PHE 52 Ca -0.10 1.31 0.07 0.00 0.12 0.00 0.00 56.93 58.32 1rjm s PHE 52 Cb -0.07 -3.60 0.41 0.00 -0.57 0.00 0.00 43.02 39.19 1rjm s PHE 52 CO -0.01 -1.79 1.06 -1.71 -0.10 0.00 0.00 175.22 172.67 1rjm n ASN 53 N 2.00 4.21 -2.91 1.36 5.15 0.23 -1.35 115.26 123.95 1rjm n ASN 53 Ca 0.04 -3.58 -0.15 0.00 -0.60 0.00 0.00 54.58 50.28 1rjm n ASN 53 Cb 0.43 -0.49 -0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1rjm n ASN 53 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rjm n ARG 54 N -0.38 1.28 -0.27 1.20 1.74 -1.26 -4.62 116.66 114.36 1rjm n ARG 54 Ca 0.34 -3.45 0.10 0.00 -0.77 0.00 0.00 57.85 54.07 1rjm n ARG 54 Cb 0.63 -1.56 0.35 0.00 -1.02 0.00 0.00 32.46 30.87 1rjm n ARG 54 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1rjm h PRO 55 N 2.98 0.74 -0.01 5.56 0.11 -1.87 0.19 132.00 139.71 1rjm h PRO 55 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1rjm h PRO 55 Cb 1.04 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1rjm h PRO 55 CO 0.53 0.49 0.11 1.05 -0.21 0.00 0.00 178.00 179.97 1rjm h GLU 56 N 0.76 0.00 -0.25 1.05 9.09 -1.93 -1.30 114.58 122.00 1rjm h GLU 56 Ca 0.43 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.62 1rjm h GLU 56 Cb 0.58 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 27.43 1rjm h GLU 56 CO -0.19 0.00 -0.78 1.33 0.05 0.00 0.00 179.01 179.42 1rjm n VAL 57 N -3.06 1.70 -3.79 -1.06 0.24 -0.64 -4.82 118.33 106.90 1rjm n VAL 57 Ca -0.03 -2.99 -0.28 0.00 -2.04 0.00 0.00 64.34 59.01 1rjm n VAL 57 Cb 0.17 -0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.59 1rjm n VAL 57 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rjm n ARG 58 N -0.60 -6.36 -3.84 7.34 3.00 -0.49 -2.82 116.66 112.89 1rjm n ARG 58 Ca 0.21 0.68 -0.30 0.00 -0.01 0.00 0.00 57.85 58.43 1rjm n ARG 58 Cb 0.87 -5.63 -0.02 0.00 0.00 0.00 0.00 32.46 27.68 1rjm n ARG 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rjm n ASN 59 N -2.88 -3.28 -4.81 0.55 3.02 0.59 -2.31 115.26 106.14 1rjm n ASN 59 Ca 0.03 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.54 1rjm n ASN 59 Cb 0.54 -2.71 0.01 0.00 -0.61 0.00 0.00 39.78 37.01 1rjm n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjm s ALA 60 N -3.08 2.74 -0.06 5.41 0.00 -1.13 -3.19 121.76 122.46 1rjm s ALA 60 Ca 0.59 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1rjm s ALA 60 Cb -0.32 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1rjm s ALA 60 CO 0.72 -0.85 -0.09 -0.59 0.00 0.00 0.00 175.76 174.95 1rjm s PHE 61 N -2.54 2.87 0.35 0.00 -0.12 0.19 -4.90 117.98 113.83 1rjm s PHE 61 Ca 0.63 -0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.56 1rjm s PHE 61 Cb -0.16 -1.69 -0.04 0.00 -0.63 0.00 0.00 43.02 40.51 1rjm s PHE 61 CO 0.39 0.30 0.16 -0.98 -0.05 0.00 0.00 175.22 175.04 1rjm s ARG 62 N -0.81 2.37 0.33 1.99 1.70 -1.26 -4.26 118.95 119.02 1rjm s ARG 62 Ca 0.12 -1.57 0.12 0.00 -0.47 0.00 0.00 55.73 53.93 1rjm s ARG 62 Cb -0.11 -2.17 1.04 0.00 -0.57 0.00 0.00 34.95 33.15 1rjm s ARG 62 CO 0.01 0.08 1.63 -1.35 -1.08 0.00 0.00 175.30 174.59 1rjm h PRO 63 N 1.51 0.18 -0.26 3.89 0.11 -2.00 0.62 132.00 136.05 1rjm h PRO 63 Ca -0.43 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1rjm h PRO 63 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1rjm h PRO 63 CO 0.64 0.12 -0.13 1.25 -0.21 0.00 0.00 178.00 179.66 1rjm h HIS 64 N 0.18 0.47 -0.39 0.65 -0.00 -2.00 -2.54 115.15 111.51 1rjm h HIS 64 Ca 0.71 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.97 1rjm h HIS 64 Cb 1.66 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.93 1rjm h HIS 64 CO -0.11 0.56 0.07 1.15 -0.00 0.00 0.00 177.93 179.59 1rjm h THR 65 N 0.41 1.24 -0.86 6.26 2.02 -0.14 -2.62 112.91 119.21 1rjm h THR 65 Ca 0.08 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1rjm h THR 65 Cb 0.47 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1rjm h THR 65 CO 0.03 0.29 0.50 0.58 0.37 0.00 0.00 175.52 177.30 1rjm h VAL 66 N 0.50 1.24 -0.17 3.16 2.07 -1.18 -0.23 116.25 121.64 1rjm h VAL 66 Ca 0.12 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1rjm h VAL 66 Cb 0.36 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1rjm h VAL 66 CO 0.01 0.26 0.11 0.44 0.02 0.00 0.00 177.57 178.41 1rjm h ASP 67 N 1.19 0.20 -0.47 0.57 3.45 -1.33 0.11 116.42 120.14 1rjm h ASP 67 Ca 0.31 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.69 1rjm h ASP 67 Cb -0.02 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1rjm h ASP 67 CO -0.06 0.17 0.13 -0.33 -1.57 0.00 0.00 179.24 177.59 1rjm h GLU 68 N 0.22 0.75 -0.17 3.56 5.08 -1.17 -0.66 114.58 122.19 1rjm h GLU 68 Ca 0.06 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1rjm h GLU 68 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1rjm h GLU 68 CO -0.01 0.73 0.04 1.25 -1.00 0.00 0.00 179.01 180.01 1rjm h LEU 69 N 0.64 0.02 -0.17 1.33 5.85 -0.80 0.15 115.31 122.32 1rjm h LEU 69 Ca 0.15 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1rjm h LEU 69 Cb 0.30 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1rjm h LEU 69 CO -0.00 0.04 0.03 0.22 -0.34 0.00 0.00 178.44 178.39 1rjm h TYR 70 N 0.11 0.06 -0.33 1.25 5.03 -0.59 0.35 116.97 122.85 1rjm h TYR 70 Ca 0.08 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.44 1rjm h TYR 70 Cb 0.07 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 1rjm h TYR 70 CO -0.13 0.02 0.08 0.00 -1.32 0.00 0.00 178.16 176.81 1rjm h ARG 71 N 0.11 0.20 0.27 1.82 3.08 -0.67 0.11 114.38 119.29 1rjm h ARG 71 Ca 0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1rjm h ARG 71 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1rjm h ARG 71 CO -0.10 0.14 -0.13 0.28 -1.07 0.00 0.00 179.97 179.09 1rjm h VAL 72 N 0.21 0.77 -0.95 2.04 2.07 -0.39 -1.47 116.25 118.53 1rjm h VAL 72 Ca 0.15 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1rjm h VAL 72 Cb 0.15 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1rjm h VAL 72 CO -0.19 0.05 0.63 -0.07 0.02 0.00 0.00 177.57 178.01 1rjm h LEU 73 N -0.48 1.06 -0.76 2.57 3.38 -0.79 -0.32 115.31 119.97 1rjm h LEU 73 Ca -0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rjm h LEU 73 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1rjm h LEU 73 CO 0.06 0.75 0.27 -0.78 0.09 0.00 0.00 178.44 178.83 1rjm h ASP 74 N 1.24 1.08 -0.45 -0.43 3.58 -0.68 0.13 116.42 120.90 1rjm h ASP 74 Ca 0.36 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 1rjm h ASP 74 Cb -0.07 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1rjm h ASP 74 CO -0.10 0.98 0.14 -0.74 -2.88 0.00 0.00 179.24 176.64 1rjm h HIS 75 N 1.12 0.72 -0.83 0.28 2.76 -0.44 -2.17 115.15 116.58 1rjm h HIS 75 Ca 0.25 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1rjm h HIS 75 Cb 0.26 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 1rjm h HIS 75 CO 0.02 0.64 0.53 0.00 -1.30 0.00 0.00 177.93 177.82 1rjm h ALA 76 N 0.99 1.05 -0.87 5.26 0.00 -0.56 -1.81 119.26 123.33 1rjm h ALA 76 Ca 0.14 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1rjm h ALA 76 Cb 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1rjm h ALA 76 CO -0.01 0.49 0.56 -0.09 0.00 0.00 0.00 179.25 180.21 1rjm h ARG 77 N 1.13 0.82 -0.02 0.00 2.43 -0.30 -1.84 114.38 116.60 1rjm h ARG 77 Ca 0.30 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1rjm h ARG 77 Cb -0.09 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1rjm h ARG 77 CO -0.06 0.54 0.00 -1.33 -1.51 0.00 0.00 179.97 177.61 1rjm n MET 78 N -4.53 1.72 -2.71 0.20 2.81 -0.75 -4.80 117.12 109.06 1rjm n MET 78 Ca 0.15 -1.04 -0.42 0.00 -1.81 0.00 0.00 57.70 54.57 1rjm n MET 78 Cb 0.32 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 1rjm n MET 78 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1rjm s SER 79 N -1.99 6.29 0.48 7.83 0.01 -0.69 -4.91 113.70 120.73 1rjm s SER 79 Ca 0.37 -0.38 0.22 0.00 1.31 0.00 0.00 55.95 57.47 1rjm s SER 79 Cb 0.21 -2.49 1.26 0.00 0.21 0.00 0.00 66.02 65.20 1rjm s SER 79 CO 0.33 -1.47 1.94 -0.65 0.41 0.00 0.00 173.24 173.80 1rjm h PRO 80 N 9.58 0.18 -0.56 12.44 0.11 -1.87 -1.90 132.00 149.99 1rjm h PRO 80 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rjm h PRO 80 Cb 1.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rjm h PRO 80 CO 1.17 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.68 1rjm n ASP 81 N -4.41 3.12 -4.24 -2.05 5.75 -1.26 -4.83 116.55 108.63 1rjm n ASP 81 Ca 0.13 -2.14 -0.34 0.00 -0.01 0.00 0.00 54.79 52.42 1rjm n ASP 81 Cb 0.63 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 40.16 1rjm n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1rjm s VAL 82 N -1.51 2.97 -0.43 2.12 1.01 -0.71 -4.54 120.40 119.31 1rjm s VAL 82 Ca 0.35 -0.74 0.14 0.00 0.00 0.00 0.00 61.98 61.73 1rjm s VAL 82 Cb 0.20 -2.39 -0.18 0.00 0.00 0.00 0.00 36.38 34.01 1rjm s VAL 82 CO 0.21 0.37 0.50 0.61 0.00 0.00 0.00 175.10 176.79 1rjm n GLY 83 N 4.73 -0.47 2.87 4.51 0.00 -0.24 -4.90 105.19 111.68 1rjm n GLY 83 Ca -0.18 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1rjm n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjm s VAL 84 N -2.60 0.09 -0.17 1.61 1.01 -1.02 -2.62 120.40 116.70 1rjm s VAL 84 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1rjm s VAL 84 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.37 1rjm s VAL 84 CO 0.60 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.91 1rjm s VAL 85 N 0.25 2.70 -0.27 2.92 1.01 -0.43 -1.73 120.40 124.85 1rjm s VAL 85 Ca -0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1rjm s VAL 85 Cb -0.04 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1rjm s VAL 85 CO -0.01 0.51 0.17 -0.76 0.00 0.00 0.00 175.10 175.01 1rjm s LEU 86 N 0.96 3.94 -0.26 3.92 1.43 0.17 -0.64 118.68 128.20 1rjm s LEU 86 Ca -0.02 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1rjm s LEU 86 Cb -0.15 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1rjm s LEU 86 CO -0.02 -0.03 0.02 -0.22 0.23 0.00 0.00 176.35 176.33 1rjm s LEU 87 N 1.62 3.37 0.00 1.79 2.96 0.03 -0.73 118.68 127.72 1rjm s LEU 87 Ca 0.07 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1rjm s LEU 87 Cb -0.15 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1rjm s LEU 87 CO 0.09 -0.10 0.00 1.07 -1.32 0.00 0.00 176.35 176.09 1rjm n THR 88 N 4.83 0.00 -4.15 3.68 5.66 -0.34 -0.14 114.28 123.82 1rjm n THR 88 Ca -0.16 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.68 1rjm n THR 88 Cb 0.49 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 1rjm n THR 88 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1rjm s GLY 89 N -0.32 0.27 0.44 1.09 0.00 -1.26 -1.92 107.32 105.61 1rjm s GLY 89 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 1rjm s GLY 89 CO 0.00 -0.12 0.92 -1.31 0.00 0.00 0.00 173.10 172.59 1rjm s ASN 90 N -0.02 6.79 0.23 1.64 0.01 -0.46 -4.83 114.94 118.30 1rjm s ASN 90 Ca 0.01 1.56 -0.15 0.00 -0.71 0.00 0.00 52.86 53.58 1rjm s ASN 90 Cb -0.03 -2.49 0.05 0.00 0.41 0.00 0.00 41.25 39.19 1rjm s ASN 90 CO -0.00 -0.41 0.73 0.61 -1.51 0.00 0.00 177.10 176.51 1rjm n GLY 91 N -0.95 0.96 3.30 0.66 0.00 -1.26 -4.52 105.19 103.39 1rjm n GLY 91 Ca 0.06 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1rjm n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rjm n PRO 92 N -0.50 -0.42 -2.04 1.61 -0.04 -1.26 -5.01 135.00 127.33 1rjm n PRO 92 Ca -0.04 -2.11 -0.42 0.00 -0.04 0.00 0.00 63.50 60.89 1rjm n PRO 92 Cb 0.47 -0.79 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 1rjm n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rjm s SER 93 N -4.73 6.70 0.46 3.54 0.15 0.18 -4.81 113.70 115.20 1rjm s SER 93 Ca 0.59 2.42 0.31 0.00 0.70 0.00 0.00 55.95 59.98 1rjm s SER 93 Cb -0.03 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 63.02 1rjm s SER 93 CO 0.40 -0.78 1.92 -0.65 1.20 0.00 0.00 173.24 175.34 1rjm h PRO 94 N 7.36 0.00 0.00 5.44 0.11 -1.90 0.24 132.00 143.24 1rjm h PRO 94 Ca -0.42 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.47 1rjm h PRO 94 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1rjm h PRO 94 CO 0.90 0.00 -1.32 0.87 -0.21 0.00 0.00 178.00 178.24 1rjm h LYS 95 N 0.00 0.00 0.00 1.05 1.57 -1.89 -3.42 116.57 113.88 1rjm h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rjm h LYS 95 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1rjm h LYS 95 CO 0.00 0.61 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 1rjm n ASP 96 N -3.13 0.00 -0.05 0.86 5.68 -1.18 -5.01 116.55 113.72 1rjm n ASP 96 Ca -0.09 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.20 1rjm n ASP 96 Cb 0.95 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.93 1rjm n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rjm n GLY 97 N 0.00 0.34 3.90 6.12 0.00 0.83 -4.95 105.19 111.42 1rjm n GLY 97 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1rjm n GLY 97 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjm s GLY 98 N -2.07 1.61 0.00 -0.02 0.00 -1.26 -4.54 107.32 101.06 1rjm s GLY 98 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 44.72 44.25 1rjm s GLY 98 CO 0.00 -0.13 -0.25 -0.98 0.00 0.00 0.00 173.10 171.74 1rjm s TRP 99 N -3.42 2.38 -0.12 1.90 0.52 -1.26 0.51 118.94 119.44 1rjm s TRP 99 Ca 0.60 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 56.17 1rjm s TRP 99 Cb -0.11 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1rjm s TRP 99 CO 0.49 0.05 0.40 0.00 0.02 0.00 0.00 176.95 177.92 1rjm s ALA 100 N -0.70 -1.01 -0.11 0.98 0.00 -1.26 -2.12 121.76 117.53 1rjm s ALA 100 Ca 0.11 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 53.00 1rjm s ALA 100 Cb -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1rjm s ALA 100 CO 0.00 -0.22 -0.13 0.35 0.00 0.00 0.00 175.76 175.77 1rjm h PHE 101 N 5.03 0.00 -1.96 0.00 3.57 -1.04 -3.41 116.94 119.14 1rjm h PHE 101 Ca -0.27 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.29 1rjm h PHE 101 Cb 1.18 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1rjm h PHE 101 CO 0.42 0.00 -0.05 0.00 -2.23 0.00 0.00 178.31 176.45 1rjm n SER 103 N 4.99 1.60 0.00 0.00 7.64 -0.98 -1.75 113.62 125.12 1rjm n SER 103 Ca -0.15 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1rjm n SER 103 Cb 0.53 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1rjm n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rjm n GLY 104 N 1.18 -1.42 0.00 0.23 0.00 -1.11 -4.44 105.19 99.63 1rjm n GLY 104 Ca 0.18 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1rjm n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjm n GLY 105 N 0.00 -0.68 4.81 -0.02 0.00 -1.26 0.53 105.19 108.57 1rjm n GLY 105 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1rjm n GLY 105 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1rjm n HIS 135 N -0.06 0.00 0.28 1.61 -0.00 -1.26 -4.65 115.22 111.14 1rjm n HIS 135 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.89 1rjm n HIS 135 Cb 0.00 -0.23 0.74 0.00 -0.00 0.00 0.00 29.99 30.50 1rjm n HIS 135 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1rjm h ILE 136 N 0.00 0.06 -0.00 3.57 6.09 -2.00 -1.53 117.51 123.70 1rjm h ILE 136 Ca 0.00 -0.49 -0.08 0.00 -1.37 0.00 0.00 64.86 62.92 1rjm h ILE 136 Cb 0.00 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 1rjm h ILE 136 CO 0.00 0.02 -0.36 -0.07 -3.07 0.00 0.00 178.15 174.67 1rjm h LEU 137 N 0.00 0.00 -0.65 2.19 3.38 -2.03 -1.69 115.31 116.52 1rjm h LEU 137 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1rjm h LEU 137 Cb 0.46 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1rjm h LEU 137 CO 0.00 0.36 -0.64 -0.33 0.09 0.00 0.00 178.44 177.92 1rjm h GLU 138 N 0.00 0.15 -0.36 1.13 5.08 -1.72 -2.33 114.58 116.54 1rjm h GLU 138 Ca -0.00 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1rjm h GLU 138 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1rjm h GLU 138 CO 0.05 0.74 -0.32 0.28 -1.00 0.00 0.00 179.01 178.75 1rjm h VAL 139 N 0.11 1.28 -0.32 3.13 2.07 -1.39 -1.58 116.25 119.55 1rjm h VAL 139 Ca -0.01 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.05 1rjm h VAL 139 Cb 1.15 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1rjm h VAL 139 CO 0.09 0.49 0.12 1.56 0.02 0.00 0.00 177.57 179.86 1rjm h GLN 140 N 0.64 0.26 -0.50 1.57 4.20 -1.12 -1.05 115.11 119.11 1rjm h GLN 140 Ca 0.06 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1rjm h GLN 140 Cb 0.91 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1rjm h GLN 140 CO 0.08 0.17 0.10 0.00 -0.67 0.00 0.00 178.83 178.51 1rjm h ARG 141 N 0.27 0.78 -0.72 1.46 3.08 -1.32 0.92 114.38 118.84 1rjm h ARG 141 Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rjm h ARG 141 Cb 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1rjm h ARG 141 CO -0.14 0.72 0.45 1.25 -1.07 0.00 0.00 179.97 181.18 1rjm h LEU 142 N 0.75 0.86 -0.31 3.04 5.85 -0.66 0.50 115.31 125.33 1rjm h LEU 142 Ca 0.16 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1rjm h LEU 142 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1rjm h LEU 142 CO 0.00 0.66 -0.12 0.40 -0.34 0.00 0.00 178.44 179.03 1rjm h ILE 143 N 0.98 1.29 -0.46 4.05 2.04 -0.59 -1.73 117.51 123.09 1rjm h ILE 143 Ca 0.26 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 1rjm h ILE 143 Cb -0.05 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1rjm h ILE 143 CO -0.05 0.39 0.12 -0.09 0.00 0.00 0.00 178.15 178.52 1rjm h ARG 144 N 0.41 0.72 0.00 2.37 9.65 -0.35 -3.29 114.38 123.88 1rjm h ARG 144 Ca 0.07 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1rjm h ARG 144 Cb 0.64 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1rjm h ARG 144 CO 0.04 0.71 -0.70 0.74 2.80 0.00 0.00 179.97 183.56 1rjm h PHE 145 N 0.61 0.00 -3.27 2.20 0.04 -0.02 -3.47 116.94 113.02 1rjm h PHE 145 Ca 0.14 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.39 1rjm h PHE 145 Cb 0.30 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.49 1rjm h PHE 145 CO 0.02 0.00 0.73 0.00 -0.60 0.00 0.00 178.31 178.45 1rjm s MET 146 N -3.25 4.32 0.00 1.51 0.23 -0.65 -4.87 119.30 116.58 1rjm s MET 146 Ca 0.04 2.18 -0.03 0.00 -1.03 0.00 0.00 55.69 56.84 1rjm s MET 146 Cb 0.11 -3.17 -0.15 0.00 -1.53 0.00 0.00 34.83 30.09 1rjm s MET 146 CO 0.74 -0.38 2.33 -0.35 -2.03 0.00 0.00 175.02 175.33 1rjm n PRO 147 N 2.86 1.18 -3.81 3.16 -0.04 -1.26 -4.72 135.00 132.37 1rjm n PRO 147 Ca 0.08 -0.56 -0.12 0.00 -0.04 0.00 0.00 63.50 62.86 1rjm n PRO 147 Cb 0.41 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1rjm n PRO 147 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1rjm s LYS 148 N 1.65 0.62 -0.15 0.54 1.02 -1.26 -4.76 119.74 117.40 1rjm s LYS 148 Ca 0.37 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 1rjm s LYS 148 Cb 0.18 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 1rjm s LYS 148 CO 0.00 -0.17 0.98 0.08 -0.92 0.00 0.00 175.35 175.33 1rjm s VAL 149 N -1.57 4.77 -0.32 3.17 1.01 -1.08 -4.92 120.40 121.47 1rjm s VAL 149 Ca -0.12 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 1rjm s VAL 149 Cb -0.05 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1rjm s VAL 149 CO 0.02 -0.04 0.14 -0.69 0.00 0.00 0.00 175.10 174.53 1rjm s VAL 150 N 2.37 4.42 -0.27 2.92 1.01 -1.26 -1.31 120.40 128.28 1rjm s VAL 150 Ca 0.45 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1rjm s VAL 150 Cb -0.17 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1rjm s VAL 150 CO 0.14 0.02 0.11 -0.63 0.00 0.00 0.00 175.10 174.74 1rjm s ILE 151 N 1.57 4.55 -0.07 2.22 1.01 0.19 -1.31 121.20 129.36 1rjm s ILE 151 Ca 0.04 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1rjm s ILE 151 Cb -0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1rjm s ILE 151 CO 0.05 0.27 0.61 0.00 0.00 0.00 0.00 174.94 175.87 1rjm s LEU 153 N 0.55 5.36 -0.61 0.00 1.43 0.81 -0.94 118.68 125.29 1rjm s LEU 153 Ca 0.32 -1.96 -0.26 0.00 -1.03 0.00 0.00 54.13 51.21 1rjm s LEU 153 Cb -0.17 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1rjm s LEU 153 CO 0.15 -0.59 1.10 -0.69 0.23 0.00 0.00 176.35 176.56 1rjm s VAL 154 N 1.22 4.13 -1.34 -1.59 1.01 -0.13 -4.31 120.40 119.38 1rjm s VAL 154 Ca 0.07 0.48 0.24 0.00 0.00 0.00 0.00 61.98 62.77 1rjm s VAL 154 Cb -0.24 -4.69 -0.00 0.00 0.00 0.00 0.00 36.38 31.45 1rjm s VAL 154 CO -0.03 -1.36 1.26 -0.46 0.00 0.00 0.00 175.10 174.51 1rjm n ASN 155 N 8.19 1.01 0.00 3.32 6.94 -1.26 -0.81 115.26 132.64 1rjm n ASN 155 Ca 0.04 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.79 1rjm n ASN 155 Cb 0.48 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 1rjm n ASN 155 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rjm n GLY 156 N 1.45 2.94 3.75 4.83 0.00 -1.26 -4.33 105.19 112.58 1rjm n GLY 156 Ca 0.07 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1rjm n GLY 156 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1rjm s TRP 157 N 0.11 2.87 -0.43 1.61 0.52 -0.90 -1.84 118.94 120.88 1rjm s TRP 157 Ca 0.00 0.89 0.02 0.00 0.02 0.00 0.00 56.10 57.03 1rjm s TRP 157 Cb 0.00 -3.96 0.14 0.00 -1.15 0.00 0.00 33.47 28.50 1rjm s TRP 157 CO 0.00 -3.17 0.25 0.00 0.02 0.00 0.00 176.95 174.05 1rjm s ALA 158 N -0.02 1.88 0.22 0.98 0.00 0.94 -0.61 121.76 125.14 1rjm s ALA 158 Ca 0.61 -2.47 0.11 0.00 0.00 0.00 0.00 51.96 50.21 1rjm s ALA 158 Cb -0.45 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1rjm s ALA 158 CO 0.46 -2.07 -0.21 0.00 0.00 0.00 0.00 175.76 173.94 1rjm s ALA 159 N 0.40 2.47 0.00 0.00 0.00 -0.72 -2.18 121.76 121.74 1rjm s ALA 159 Ca 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rjm s ALA 159 Cb -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1rjm s ALA 159 CO -0.02 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1rjm n GLY 160 N -0.05 3.22 0.31 0.00 0.00 -1.03 -0.22 105.19 107.41 1rjm n GLY 160 Ca -0.10 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1rjm n GLY 160 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rjm h GLY 161 N 0.00 0.00 1.36 -0.02 0.00 -1.90 0.76 103.07 103.27 1rjm h GLY 161 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1rjm h GLY 161 CO 0.00 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 1rjm h GLY 162 N 0.00 0.82 1.11 4.60 0.00 -0.75 -1.33 103.07 107.52 1rjm h GLY 162 Ca 0.06 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.63 1rjm h GLY 162 CO -0.00 0.57 -0.31 0.84 0.00 0.00 0.00 176.54 177.64 1rjm h HIS 163 N 0.68 1.12 -0.30 5.60 2.76 -0.68 -2.93 115.15 121.41 1rjm h HIS 163 Ca 0.12 -0.31 -0.05 0.00 -2.20 0.00 0.00 60.37 57.93 1rjm h HIS 163 Cb 0.59 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1rjm h HIS 163 CO 0.03 1.14 -0.01 0.77 -1.30 0.00 0.00 177.93 178.56 1rjm h SER 164 N 0.79 0.43 -0.53 3.26 0.02 -1.01 -1.89 113.55 114.62 1rjm h SER 164 Ca 0.08 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1rjm h SER 164 Cb 0.90 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1rjm h SER 164 CO 0.08 0.50 0.07 -0.07 -1.14 0.00 0.00 176.83 176.28 1rjm h LEU 165 N 0.44 0.85 -0.60 5.07 3.38 -1.11 -2.39 115.31 120.96 1rjm h LEU 165 Ca 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1rjm h LEU 165 Cb 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1rjm h LEU 165 CO 0.01 0.90 0.26 -0.74 0.09 0.00 0.00 178.44 178.96 1rjm h HIS 166 N 0.76 0.89 -0.51 1.13 -0.00 -1.26 -2.75 115.15 113.41 1rjm h HIS 166 Ca 0.16 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1rjm h HIS 166 Cb 0.42 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.52 1rjm h HIS 166 CO 0.03 0.70 0.27 0.28 -0.00 0.00 0.00 177.93 179.21 1rjm h VAL 167 N 0.82 0.97 0.00 5.26 2.07 -1.13 -2.70 116.25 121.54 1rjm h VAL 167 Ca 0.20 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1rjm h VAL 167 Cb 0.17 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1rjm h VAL 167 CO -0.02 0.09 0.00 1.62 0.02 0.00 0.00 177.57 179.28 1rjm h VAL 168 N 0.52 0.00 -4.15 2.57 3.04 -1.32 -3.45 116.25 113.46 1rjm h VAL 168 Ca 0.22 -0.66 -0.53 0.00 -1.01 0.00 0.00 66.70 64.73 1rjm h VAL 168 Cb 0.12 1.66 0.13 0.00 -2.01 0.00 0.00 31.29 31.19 1rjm h VAL 168 CO -0.15 0.00 0.42 0.00 -1.01 0.00 0.00 177.57 176.83 1rjm h ASP 170 N 0.24 0.84 -5.10 0.00 3.32 -1.51 -3.45 116.42 110.77 1rjm h ASP 170 Ca -0.49 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.28 1rjm h ASP 170 Cb 1.29 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 1rjm h ASP 170 CO 0.53 0.81 -0.60 -0.76 -1.72 0.00 0.00 179.24 177.50 1rjm s LEU 171 N -9.42 2.05 -0.04 1.55 1.43 -1.04 -5.03 118.68 108.18 1rjm s LEU 171 Ca -0.10 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1rjm s LEU 171 Cb 0.16 0.41 0.03 0.00 0.03 0.00 0.00 46.19 46.81 1rjm s LEU 171 CO 0.81 -0.48 -0.00 -0.89 0.23 0.00 0.00 176.35 176.01 1rjm s THR 172 N -2.64 0.24 -0.01 5.49 2.01 -1.26 -0.24 115.64 119.23 1rjm s THR 172 Ca -0.05 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1rjm s THR 172 Cb -0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1rjm s THR 172 CO -0.05 0.17 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.07 1rjm s LEU 173 N 1.12 2.36 0.03 4.42 1.43 -0.11 -0.33 118.68 127.60 1rjm s LEU 173 Ca -0.08 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1rjm s LEU 173 Cb -0.13 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1rjm s LEU 173 CO -0.02 0.31 -0.07 0.00 0.23 0.00 0.00 176.35 176.80 1rjm s ALA 174 N -0.73 0.56 -0.08 4.21 0.00 -0.80 -0.96 121.76 123.96 1rjm s ALA 174 Ca 0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1rjm s ALA 174 Cb -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1rjm s ALA 174 CO 0.01 0.02 1.59 0.45 0.00 0.00 0.00 175.76 177.83 1rjm s SER 175 N -1.23 6.69 0.17 0.00 0.15 0.01 -0.84 113.70 118.66 1rjm s SER 175 Ca -0.07 2.11 -0.14 0.00 0.70 0.00 0.00 55.95 58.55 1rjm s SER 175 Cb -0.08 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 1rjm s SER 175 CO 0.00 -0.92 1.83 -0.09 1.20 0.00 0.00 173.24 175.26 1rjm h ARG 176 N 9.41 0.62 0.00 5.44 2.43 -0.94 -0.35 114.38 130.99 1rjm h ARG 176 Ca -0.37 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.54 1rjm h ARG 176 Cb 1.16 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1rjm h ARG 176 CO 0.96 0.41 -0.94 0.93 -1.51 0.00 0.00 179.97 179.82 1rjm h GLU 177 N 0.64 0.38 0.00 0.20 3.07 -1.91 -3.40 114.58 113.56 1rjm h GLU 177 Ca 0.19 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1rjm h GLU 177 Cb -0.04 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1rjm h GLU 177 CO -0.06 1.09 -0.40 0.66 -1.40 0.00 0.00 179.01 178.90 1rjm n TYR 178 N -3.73 0.00 -1.89 4.33 4.01 -1.20 -5.00 117.16 113.68 1rjm n TYR 178 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 1rjm n TYR 178 Cb 0.84 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.82 1rjm n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rjm s ALA 179 N -1.64 3.80 -0.09 -0.72 0.00 -0.15 -4.01 121.76 118.96 1rjm s ALA 179 Ca 0.01 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1rjm s ALA 179 Cb 0.04 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1rjm s ALA 179 CO 0.22 -0.85 0.01 1.03 0.00 0.00 0.00 175.76 176.17 1rjm s ARG 180 N 1.34 0.62 -0.20 0.00 1.81 -0.77 -3.89 118.95 117.87 1rjm s ARG 180 Ca 0.72 0.03 -0.07 0.00 -1.72 0.00 0.00 55.73 54.68 1rjm s ARG 180 Cb -0.45 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 1rjm s ARG 180 CO 0.32 -0.35 0.06 -0.06 -0.68 0.00 0.00 175.30 174.58 1rjm s PHE 181 N 1.96 3.19 -0.19 -0.53 0.40 0.24 -0.04 117.98 123.00 1rjm s PHE 181 Ca 0.04 -0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1rjm s PHE 181 Cb -0.13 -2.11 0.08 0.00 0.51 0.00 0.00 43.02 41.37 1rjm s PHE 181 CO -0.06 0.01 0.42 0.21 0.70 0.00 0.00 175.22 176.50 1rjm s LYS 182 N 0.70 0.35 -0.61 0.44 2.20 -0.93 -0.03 119.74 121.87 1rjm s LYS 182 Ca 0.03 0.97 -0.17 0.00 -0.36 0.00 0.00 55.97 56.43 1rjm s LYS 182 Cb -0.13 0.22 0.13 0.00 -1.51 0.00 0.00 37.83 36.53 1rjm s LYS 182 CO 0.02 -0.22 0.66 -1.14 -0.36 0.00 0.00 175.35 174.31 1rjm s GLN 183 N 2.22 3.10 -0.06 4.03 2.00 -1.26 -2.48 119.66 127.21 1rjm s GLN 183 Ca -0.04 -1.59 -0.24 0.00 -2.00 0.00 0.00 55.36 51.49 1rjm s GLN 183 Cb -0.11 -4.32 -0.26 0.00 0.80 0.00 0.00 33.01 29.12 1rjm s GLN 183 CO -0.13 -1.46 0.95 1.79 -0.50 0.00 0.00 175.29 175.94 1rjm h THR 184 N 5.80 1.58 0.00 -0.34 1.35 -1.89 -3.39 112.91 116.03 1rjm h THR 184 Ca -0.24 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1rjm h THR 184 Cb 1.08 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1rjm h THR 184 CO 1.05 0.60 0.00 0.47 -0.25 0.00 0.00 175.52 177.39 1rjm n ASP 185 N -4.41 0.00 -0.34 5.36 8.00 -1.26 -2.14 116.55 121.75 1rjm n ASP 185 Ca -0.11 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.43 1rjm n ASP 185 Cb 0.59 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.79 1rjm n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjm n ALA 186 N -1.47 0.12 0.65 2.24 0.00 -1.11 0.71 120.51 121.65 1rjm n ALA 186 Ca 0.00 0.99 0.09 0.00 0.00 0.00 0.00 53.44 54.51 1rjm n ALA 186 Cb 0.00 -0.55 0.40 0.00 0.00 0.00 0.00 19.45 19.30 1rjm n ALA 186 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rjm n ASP 187 N -5.46 0.00 -0.24 0.00 5.68 -0.91 -1.86 116.55 113.75 1rjm n ASP 187 Ca 0.13 0.45 0.11 0.00 -0.50 0.00 0.00 54.79 54.98 1rjm n ASP 187 Cb 0.43 -0.48 0.09 0.00 -1.14 0.00 0.00 41.12 40.03 1rjm n ASP 187 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1rjm n VAL 188 N -1.48 0.00 -0.11 2.12 0.31 0.22 -4.94 118.33 114.46 1rjm n VAL 188 Ca 0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1rjm n VAL 188 Cb 0.21 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 1rjm n VAL 188 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rjm n GLY 189 N 1.43 1.37 4.00 2.92 0.00 -0.78 -5.04 105.19 109.10 1rjm n GLY 189 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1rjm n GLY 189 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rjm s SER 190 N -3.02 4.46 -0.29 1.61 0.15 -1.04 -4.94 113.70 110.63 1rjm s SER 190 Ca 0.00 -0.45 -0.26 0.00 0.70 0.00 0.00 55.95 55.94 1rjm s SER 190 Cb 0.00 0.05 0.18 0.00 -1.71 0.00 0.00 66.02 64.54 1rjm s SER 190 CO 0.00 -1.78 1.36 0.72 1.20 0.00 0.00 173.24 174.74 1rjm s PHE 191 N -3.07 -0.10 -0.40 3.44 -0.12 -1.26 -2.77 117.98 113.70 1rjm s PHE 191 Ca 0.66 0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 57.67 1rjm s PHE 191 Cb -0.05 0.48 0.07 0.00 -0.63 0.00 0.00 43.02 42.88 1rjm s PHE 191 CO 0.43 -0.06 0.23 0.34 -0.05 0.00 0.00 175.22 176.11 1rjm s ASP 192 N -0.32 5.61 -0.23 1.98 -1.08 -1.26 -4.95 116.67 116.42 1rjm s ASP 192 Ca 0.07 -1.40 0.11 0.00 -0.52 0.00 0.00 52.55 50.81 1rjm s ASP 192 Cb -0.04 -1.98 0.68 0.00 -1.46 0.00 0.00 42.92 40.13 1rjm s ASP 192 CO -0.12 -0.49 1.59 0.61 0.52 0.00 0.00 175.17 177.28 1rjm n GLY 193 N 4.91 2.94 0.00 2.66 0.00 -1.26 -3.34 105.19 111.11 1rjm n GLY 193 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1rjm n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjm n GLY 194 N 0.34 1.46 0.24 -0.02 0.00 -1.26 -4.61 105.19 101.34 1rjm n GLY 194 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1rjm n GLY 194 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rjm h TYR 195 N 0.00 0.00 -0.63 1.61 -1.99 -1.96 -1.07 116.97 112.93 1rjm h TYR 195 Ca 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1rjm h TYR 195 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1rjm h TYR 195 CO 0.00 0.18 0.02 0.78 -0.00 0.00 0.00 178.16 179.15 1rjm h GLY 196 N 1.42 1.18 0.00 3.88 0.00 -1.83 -3.27 103.07 104.44 1rjm h GLY 196 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1rjm h GLY 196 CO 0.02 0.78 0.00 -1.14 0.00 0.00 0.00 176.54 176.20 1rjm n SER 197 N -4.19 0.00 -0.26 0.19 3.41 -1.13 -4.29 113.62 107.35 1rjm n SER 197 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.68 1rjm n SER 197 Cb 0.34 -0.32 0.13 0.00 -0.26 0.00 0.00 64.21 64.09 1rjm n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjm h ALA 198 N -1.61 0.66 -0.02 7.33 0.00 -1.43 0.13 119.26 124.31 1rjm h ALA 198 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1rjm h ALA 198 Cb 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rjm h ALA 198 CO 0.00 -0.43 -0.24 -0.92 0.00 0.00 0.00 179.25 177.66 1rjm h TYR 199 N 0.05 0.04 -0.60 0.00 3.20 -1.58 -2.09 116.97 115.97 1rjm h TYR 199 Ca 0.39 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1rjm h TYR 199 Cb 0.66 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1rjm h TYR 199 CO -0.51 0.28 0.34 1.25 -1.64 0.00 0.00 178.16 177.88 1rjm h LEU 200 N 0.03 0.73 -1.96 2.82 5.85 -0.83 -1.06 115.31 120.88 1rjm h LEU 200 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1rjm h LEU 200 Cb 0.45 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1rjm h LEU 200 CO 0.03 0.58 -0.09 0.00 -0.34 0.00 0.00 178.44 178.62 1rjm h ALA 201 N 1.54 1.63 0.00 1.25 0.00 -1.12 0.11 119.26 122.68 1rjm h ALA 201 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rjm h ALA 201 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rjm h ALA 201 CO -0.04 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1rjm n ARG 202 N -4.11 0.82 -0.05 0.00 5.12 -0.41 -0.90 116.66 117.14 1rjm n ARG 202 Ca -0.03 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.82 1rjm n ARG 202 Cb 0.17 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1rjm n ARG 202 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1rjm n GLN 203 N -1.05 0.22 0.00 5.56 6.02 0.25 -4.80 117.38 123.58 1rjm n GLN 203 Ca 0.20 0.07 0.04 0.00 -0.01 0.00 0.00 57.00 57.30 1rjm n GLN 203 Cb 0.12 -1.03 0.03 0.00 1.02 0.00 0.00 30.24 30.38 1rjm n GLN 203 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1rjm n VAL 204 N -3.06 0.00 0.00 5.09 0.24 -0.38 -4.46 118.33 115.77 1rjm n VAL 204 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1rjm n VAL 204 Cb 0.65 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1rjm n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rjm n GLY 205 N 0.43 0.27 0.37 7.63 0.00 -0.08 -4.32 105.19 109.49 1rjm n GLY 205 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1rjm n GLY 205 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rjm h GLN 206 N 0.00 1.20 0.41 1.61 1.08 -1.93 -1.71 115.11 115.77 1rjm h GLN 206 Ca 0.00 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1rjm h GLN 206 Cb 0.00 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.16 1rjm h GLN 206 CO 0.00 0.79 -0.20 -0.22 -0.95 0.00 0.00 178.83 178.26 1rjm h LYS 207 N 1.24 -0.53 -0.61 1.46 1.63 -1.95 -2.11 116.57 115.69 1rjm h LYS 207 Ca 0.38 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1rjm h LYS 207 Cb -0.03 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1rjm h LYS 207 CO -0.11 -0.26 0.10 0.74 -3.45 0.00 0.00 179.45 176.47 1rjm h PHE 208 N -0.76 1.05 -0.70 1.91 0.04 -1.74 -1.91 116.94 114.83 1rjm h PHE 208 Ca -0.06 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1rjm h PHE 208 Cb 0.52 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1rjm h PHE 208 CO -0.00 0.89 0.38 0.00 -0.60 0.00 0.00 178.31 178.98 1rjm h ALA 209 N 1.16 0.90 -0.40 2.45 0.00 -1.31 0.52 119.26 122.57 1rjm h ALA 209 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1rjm h ALA 209 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1rjm h ALA 209 CO 0.01 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.50 1rjm h ARG 210 N 0.97 0.77 0.41 0.00 3.08 -1.21 -2.36 114.38 116.03 1rjm h ARG 210 Ca 0.25 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1rjm h ARG 210 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1rjm h ARG 210 CO -0.04 0.89 -0.20 1.49 -1.07 0.00 0.00 179.97 181.05 1rjm h GLU 211 N 0.68 -0.53 -0.81 0.04 4.81 -0.63 0.14 114.58 118.27 1rjm h GLU 211 Ca 0.10 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.51 1rjm h GLU 211 Cb 0.67 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.08 1rjm h GLU 211 CO 0.05 -0.34 0.39 0.82 -0.73 0.00 0.00 179.01 179.21 1rjm h ILE 212 N -0.59 0.71 0.09 2.32 2.04 -0.78 -2.16 117.51 119.16 1rjm h ILE 212 Ca -0.06 -0.20 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1rjm h ILE 212 Cb 0.44 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1rjm h ILE 212 CO 0.09 0.10 -0.75 -0.26 0.00 0.00 0.00 178.15 177.33 1rjm h PHE 213 N 0.57 0.36 -0.75 1.37 -1.00 -1.27 -2.70 116.94 113.52 1rjm h PHE 213 Ca 0.44 -0.27 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1rjm h PHE 213 Cb 0.63 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.14 1rjm h PHE 213 CO -0.11 1.29 0.40 0.74 -1.61 0.00 0.00 178.31 179.02 1rjm h PHE 214 N -0.55 1.04 0.00 -0.55 0.04 -0.64 -3.25 116.94 113.03 1rjm h PHE 214 Ca -0.15 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1rjm h PHE 214 Cb 1.49 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1rjm h PHE 214 CO 0.20 0.73 -1.64 1.28 -0.60 0.00 0.00 178.31 178.28 1rjm n LEU 215 N -4.45 0.30 -3.51 1.54 4.32 -0.82 -5.00 117.00 109.38 1rjm n LEU 215 Ca 0.07 0.06 -0.26 0.00 -0.02 0.00 0.00 56.01 55.86 1rjm n LEU 215 Cb 0.10 -0.02 0.04 0.00 -1.62 0.00 0.00 43.42 41.91 1rjm n LEU 215 CO 0.38 -0.04 0.10 0.61 -1.22 0.00 0.00 177.39 177.22 1rjm n GLY 216 N 1.26 -0.52 3.85 -0.72 0.00 -1.02 -4.98 105.19 103.06 1rjm n GLY 216 Ca -0.02 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1rjm n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjm s ARG 217 N -6.21 2.17 -0.08 1.61 0.52 -1.26 -4.62 118.95 111.08 1rjm s ARG 217 Ca 0.51 0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 56.04 1rjm s ARG 217 Cb -0.24 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1rjm s ARG 217 CO 0.63 -1.51 0.25 0.99 0.02 0.00 0.00 175.30 175.68 1rjm s THR 218 N -3.32 5.31 0.08 0.02 2.01 -1.26 -4.31 115.64 114.17 1rjm s THR 218 Ca 0.61 0.47 0.06 0.00 0.31 0.00 0.00 61.69 63.14 1rjm s THR 218 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1rjm s THR 218 CO 0.52 0.58 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.56 1rjm s TYR 219 N -0.86 1.40 0.78 4.92 1.51 0.95 -4.93 117.35 121.13 1rjm s TYR 219 Ca 0.18 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1rjm s TYR 219 Cb -0.14 -0.78 0.11 0.00 -0.11 0.00 0.00 41.96 41.04 1rjm s TYR 219 CO 0.07 0.10 1.10 0.95 -1.11 0.00 0.00 175.55 176.67 1rjm s THR 220 N -1.23 2.15 0.19 -0.71 -4.23 -1.26 -0.59 115.64 109.96 1rjm s THR 220 Ca 0.01 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 1rjm s THR 220 Cb -0.10 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.93 1rjm s THR 220 CO 0.03 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.90 1rjm h ALA 221 N -0.90 0.86 -0.20 3.99 0.00 -1.82 -2.14 119.26 119.07 1rjm h ALA 221 Ca -0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1rjm h ALA 221 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1rjm h ALA 221 CO 0.51 0.40 0.10 1.49 0.00 0.00 0.00 179.25 181.75 1rjm h GLU 222 N 0.92 0.28 -0.58 0.00 4.57 -1.92 0.25 114.58 118.11 1rjm h GLU 222 Ca 0.23 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1rjm h GLU 222 Cb 0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1rjm h GLU 222 CO -0.03 0.30 0.36 1.96 -1.18 0.00 0.00 179.01 180.42 1rjm h GLN 223 N 0.19 0.77 -0.03 1.92 4.20 -1.91 0.73 115.11 120.98 1rjm h GLN 223 Ca 0.07 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1rjm h GLN 223 Cb 0.11 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1rjm h GLN 223 CO -0.01 0.54 -0.35 1.98 -0.67 0.00 0.00 178.83 180.32 1rjm h MET 224 N 0.78 0.05 -0.28 1.46 4.05 -1.23 -1.52 114.93 118.23 1rjm h MET 224 Ca 0.21 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.47 1rjm h MET 224 Cb -0.05 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1rjm h MET 224 CO -0.04 0.40 -0.35 1.25 0.23 0.00 0.00 176.91 178.40 1rjm h HIS 225 N 0.05 0.90 -0.94 1.39 -0.00 -0.09 -1.77 115.15 114.69 1rjm h HIS 225 Ca 0.00 -0.29 0.03 0.00 -0.00 0.00 0.00 60.37 60.11 1rjm h HIS 225 Cb 0.65 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.83 1rjm h HIS 225 CO 0.00 1.06 0.62 0.37 -0.00 0.00 0.00 177.93 179.98 1rjm h GLN 226 N 0.49 1.18 0.00 5.26 5.75 -0.34 -2.29 115.11 125.16 1rjm h GLN 226 Ca 0.04 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1rjm h GLN 226 Cb 0.94 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 1rjm h GLN 226 CO 0.08 0.78 -0.16 0.52 -2.65 0.00 0.00 178.83 177.40 1rjm h MET 227 N 1.22 0.00 0.00 1.69 2.86 -1.10 -3.48 114.93 116.12 1rjm h MET 227 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1rjm h MET 227 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1rjm h MET 227 CO -0.10 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.44 1rjm n GLY 228 N 0.83 1.01 0.02 8.32 0.00 -0.72 -4.26 105.19 110.39 1rjm n GLY 228 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1rjm n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjm n ALA 229 N -0.94 3.76 -3.66 4.61 0.00 -0.87 -4.59 120.51 118.83 1rjm n ALA 229 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 1rjm n ALA 229 Cb 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.39 1rjm n ALA 229 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rjm s VAL 230 N -3.15 2.39 0.10 0.00 1.01 -1.15 -4.64 120.40 114.95 1rjm s VAL 230 Ca 0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1rjm s VAL 230 Cb 0.15 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1rjm s VAL 230 CO 0.82 0.53 1.50 0.78 0.00 0.00 0.00 175.10 178.72 1rjm h ASN 231 N 7.49 0.61 -5.00 3.32 4.21 -1.00 -3.39 115.58 121.81 1rjm h ASN 231 Ca -0.36 -0.37 -0.05 0.00 1.21 0.00 0.00 56.30 56.73 1rjm h ASN 231 Cb 1.18 -0.17 -0.17 0.00 -1.12 0.00 0.00 38.32 38.05 1rjm h ASN 231 CO 0.58 0.84 0.15 0.00 -1.29 0.00 0.00 177.43 177.71 1rjm s ALA 232 N -4.76 -1.61 -0.07 -0.83 0.00 -1.22 -5.06 121.76 108.22 1rjm s ALA 232 Ca -0.13 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1rjm s ALA 232 Cb 0.08 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1rjm s ALA 232 CO 0.79 -0.50 0.09 0.08 0.00 0.00 0.00 175.76 176.22 1rjm s VAL 233 N -2.10 4.99 0.05 0.00 1.01 -1.26 -1.90 120.40 121.19 1rjm s VAL 233 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1rjm s VAL 233 Cb -0.01 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1rjm s VAL 233 CO 0.02 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.58 1rjm s ALA 234 N -1.07 0.46 0.26 5.51 0.00 -0.02 -4.92 121.76 121.98 1rjm s ALA 234 Ca 0.18 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1rjm s ALA 234 Cb -0.12 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 1rjm s ALA 234 CO 0.08 -0.25 1.28 -1.21 0.00 0.00 0.00 175.76 175.66 1rjm s GLU 235 N -2.92 4.41 0.22 0.00 2.02 -1.26 -0.24 118.70 120.93 1rjm s GLU 235 Ca -0.01 2.08 -0.19 0.00 0.02 0.00 0.00 54.97 56.87 1rjm s GLU 235 Cb 0.00 -3.15 0.20 0.00 0.10 0.00 0.00 34.13 31.28 1rjm s GLU 235 CO -0.05 -0.17 1.55 1.25 0.02 0.00 0.00 175.26 177.86 1rjm h HIS 236 N 4.46 -1.16 0.00 1.61 -0.00 -1.91 0.56 115.15 118.71 1rjm h HIS 236 Ca -0.46 0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.01 1rjm h HIS 236 Cb 1.22 0.64 -0.00 0.00 -0.00 0.00 0.00 27.41 29.27 1rjm h HIS 236 CO 0.59 -0.40 -0.02 0.00 -0.00 0.00 0.00 177.93 178.11 1rjm h ALA 237 N 1.24 1.14 -0.02 5.26 0.00 -1.90 -2.42 119.26 122.55 1rjm h ALA 237 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1rjm h ALA 237 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rjm h ALA 237 CO -0.95 0.02 -0.48 0.39 0.00 0.00 0.00 179.25 178.23 1rjm n GLU 238 N -3.30 1.20 -0.16 0.00 -0.58 0.18 -4.40 120.64 113.58 1rjm n GLU 238 Ca -0.02 -0.99 -0.09 0.00 -0.42 0.00 0.00 57.16 55.64 1rjm n GLU 238 Cb 0.13 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 1rjm n GLU 238 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rjm h LEU 239 N 2.41 -1.44 -0.77 -4.62 5.85 -0.72 0.29 115.31 116.31 1rjm h LEU 239 Ca 0.00 0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 1rjm h LEU 239 Cb 0.75 0.64 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1rjm h LEU 239 CO 0.00 -0.35 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.02 1rjm h GLU 240 N -0.28 0.47 -0.71 1.25 5.08 -1.82 0.59 114.58 119.15 1rjm h GLU 240 Ca 0.16 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1rjm h GLU 240 Cb 0.57 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1rjm h GLU 240 CO -0.62 0.79 0.30 1.15 -1.00 0.00 0.00 179.01 179.63 1rjm h THR 241 N 0.39 1.24 -0.36 1.13 2.02 -1.57 0.62 112.91 116.38 1rjm h THR 241 Ca 0.04 -0.74 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 1rjm h THR 241 Cb 0.86 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1rjm h THR 241 CO 0.07 0.30 -0.37 0.58 0.37 0.00 0.00 175.52 176.47 1rjm h VAL 242 N 1.02 1.28 -0.81 3.16 2.07 -0.18 -2.40 116.25 120.38 1rjm h VAL 242 Ca 0.24 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1rjm h VAL 242 Cb 0.18 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1rjm h VAL 242 CO -0.02 0.51 0.52 1.23 0.02 0.00 0.00 177.57 179.83 1rjm h GLY 243 N 0.85 1.15 1.69 2.17 0.00 -0.19 -1.31 103.07 107.44 1rjm h GLY 243 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1rjm h GLY 243 CO 0.09 0.37 -0.32 1.41 0.00 0.00 0.00 176.54 178.09 1rjm h LEU 244 N 1.04 0.36 -0.71 3.11 3.38 -0.77 0.45 115.31 122.17 1rjm h LEU 244 Ca 0.31 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1rjm h LEU 244 Cb -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rjm h LEU 244 CO -0.09 0.67 -0.01 -0.61 0.09 0.00 0.00 178.44 178.49 1rjm h GLN 245 N 0.31 0.98 -0.35 1.13 5.75 -0.86 0.12 115.11 122.19 1rjm h GLN 245 Ca 0.04 -0.30 -0.17 0.00 -0.15 0.00 0.00 58.65 58.07 1rjm h GLN 245 Cb 0.72 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 1rjm h GLN 245 CO 0.05 0.97 -0.43 -1.49 -2.65 0.00 0.00 178.83 175.29 1rjm h TRP 246 N 0.90 1.12 -0.80 3.99 4.06 -0.90 -2.22 115.95 122.09 1rjm h TRP 246 Ca 0.16 -0.36 -0.01 0.00 2.06 0.00 0.00 58.89 60.75 1rjm h TRP 246 Cb 0.54 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.43 1rjm h TRP 246 CO 0.03 1.19 0.46 0.00 -3.56 0.00 0.00 178.44 176.56 1rjm h ALA 247 N 0.74 1.03 -0.52 1.49 0.00 -0.59 -1.75 119.26 119.66 1rjm h ALA 247 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1rjm h ALA 247 Cb 1.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1rjm h ALA 247 CO 0.10 0.52 0.25 0.00 0.00 0.00 0.00 179.25 180.12 1rjm h ALA 248 N 1.24 0.66 -0.51 0.00 0.00 -0.61 0.44 119.26 120.49 1rjm h ALA 248 Ca 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1rjm h ALA 248 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rjm h ALA 248 CO -0.05 0.22 0.08 0.93 0.00 0.00 0.00 179.25 180.43 1rjm h GLU 249 N 0.69 0.81 0.09 0.00 5.08 -1.11 -0.76 114.58 119.39 1rjm h GLU 249 Ca 0.18 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rjm h GLU 249 Cb 0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rjm h GLU 249 CO -0.02 0.76 -0.04 0.82 -1.00 0.00 0.00 179.01 179.53 1rjm h ILE 250 N 0.77 1.10 0.00 3.13 2.04 -0.96 -3.13 117.51 120.47 1rjm h ILE 250 Ca 0.16 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1rjm h ILE 250 Cb 0.36 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1rjm h ILE 250 CO 0.01 0.18 0.00 0.78 0.00 0.00 0.00 178.15 179.12 1rjm h ASN 251 N -0.47 0.00 0.75 1.72 2.35 -0.72 -2.49 115.58 116.72 1rjm h ASN 251 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rjm h ASN 251 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1rjm h ASN 251 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1rjm n ALA 252 N -2.03 1.93 -2.05 -0.83 0.00 -0.31 -4.81 120.51 112.41 1rjm n ALA 252 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 1rjm n ALA 252 Cb 0.18 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.32 1rjm n ALA 252 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rjm s LYS 253 N -3.03 2.51 -0.04 0.00 1.02 -0.94 -5.03 119.74 114.22 1rjm s LYS 253 Ca 0.09 -1.51 -0.31 0.00 0.02 0.00 0.00 55.97 54.27 1rjm s LYS 253 Cb 0.13 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1rjm s LYS 253 CO 0.39 -0.60 1.99 0.45 -0.92 0.00 0.00 175.35 176.66 1rjm n SER 254 N -2.04 3.81 -0.20 2.83 2.88 -1.26 -4.88 113.62 114.75 1rjm n SER 254 Ca 0.11 0.81 -0.05 0.00 -1.33 0.00 0.00 58.87 58.41 1rjm n SER 254 Cb 0.61 -1.48 0.05 0.00 -0.75 0.00 0.00 64.21 62.63 1rjm n SER 254 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1rjm h PRO 255 N 10.92 0.72 -0.96 -1.46 0.11 -1.92 -1.35 132.00 138.07 1rjm h PRO 255 Ca -0.48 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.62 1rjm h PRO 255 Cb 1.25 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1rjm h PRO 255 CO 0.95 0.48 0.63 0.37 -0.21 0.00 0.00 178.00 180.22 1rjm h GLN 256 N 0.74 1.20 -0.26 1.05 5.75 -1.99 -1.03 115.11 120.56 1rjm h GLN 256 Ca 0.23 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1rjm h GLN 256 Cb -0.02 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 1rjm h GLN 256 CO -0.08 0.79 0.09 0.00 -2.65 0.00 0.00 178.83 176.98 1rjm h ALA 257 N 1.39 0.34 -0.78 3.38 0.00 -1.80 -1.48 119.26 120.32 1rjm h ALA 257 Ca 0.38 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1rjm h ALA 257 Cb -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1rjm h ALA 257 CO -0.11 -0.04 0.50 1.96 0.00 0.00 0.00 179.25 181.55 1rjm h GLN 258 N 0.27 0.94 -0.04 0.00 1.08 -0.68 0.46 115.11 117.15 1rjm h GLN 258 Ca 0.09 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1rjm h GLN 258 Cb 0.21 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1rjm h GLN 258 CO -0.00 0.62 0.02 0.00 -0.95 0.00 0.00 178.83 178.51 1rjm h ARG 259 N 0.97 0.05 -0.51 1.46 3.08 -1.02 -1.25 114.38 117.17 1rjm h ARG 259 Ca 0.31 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.40 1rjm h ARG 259 Cb 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1rjm h ARG 259 CO -0.11 0.15 0.24 0.52 -1.07 0.00 0.00 179.97 179.70 1rjm h MET 260 N -0.06 0.46 -0.41 0.04 2.86 -0.81 -2.30 114.93 114.71 1rjm h MET 260 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1rjm h MET 260 Cb 0.11 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1rjm h MET 260 CO -0.00 0.30 0.23 -0.07 1.06 0.00 0.00 176.91 178.43 1rjm h LEU 261 N 0.47 0.51 -0.60 1.22 3.38 -0.75 -0.16 115.31 119.39 1rjm h LEU 261 Ca 0.23 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1rjm h LEU 261 Cb 0.16 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1rjm h LEU 261 CO -0.17 0.45 0.34 0.50 0.09 0.00 0.00 178.44 179.65 1rjm h LYS 262 N 0.53 0.63 0.00 1.13 3.64 -0.86 -0.44 116.57 121.21 1rjm h LYS 262 Ca 0.14 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1rjm h LYS 262 Cb 0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1rjm h LYS 262 CO -0.02 0.42 -0.28 0.74 -2.27 0.00 0.00 179.45 178.03 1rjm h PHE 263 N 0.65 0.00 -0.32 1.91 0.04 -1.20 -1.32 116.94 116.70 1rjm h PHE 263 Ca 0.26 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.89 1rjm h PHE 263 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1rjm h PHE 263 CO -0.08 0.28 -0.37 0.00 -0.60 0.00 0.00 178.31 177.54 1rjm h ALA 264 N 1.72 0.74 -0.13 2.45 0.00 0.20 0.12 119.26 124.36 1rjm h ALA 264 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1rjm h ALA 264 Cb 0.83 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rjm h ALA 264 CO 0.04 0.66 -0.66 0.74 0.00 0.00 0.00 179.25 180.03 1rjm h PHE 265 N 0.62 0.65 -0.39 0.00 0.04 -0.76 -3.18 116.94 113.93 1rjm h PHE 265 Ca 0.06 -0.26 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 1rjm h PHE 265 Cb 0.91 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1rjm h PHE 265 CO 0.05 1.01 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.79 1rjm h ASN 266 N 0.36 0.73 -1.23 2.17 4.21 -1.10 -3.16 115.58 117.57 1rjm h ASN 266 Ca -0.02 -0.35 0.36 0.00 1.21 0.00 0.00 56.30 57.50 1rjm h ASN 266 Cb 1.22 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 38.17 1rjm h ASN 266 CO 0.12 0.91 0.88 0.25 -1.29 0.00 0.00 177.43 178.30 1rjm h LEU 267 N 0.54 0.03 -2.17 1.61 5.85 -0.94 0.90 115.31 121.13 1rjm h LEU 267 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1rjm h LEU 267 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1rjm h LEU 267 CO 0.03 0.00 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.01 1rjm h LEU 268 N 0.03 0.00 0.00 2.25 3.38 -1.64 -3.32 115.31 116.00 1rjm h LEU 268 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1rjm h LEU 268 Cb 2.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.07 1rjm h LEU 268 CO -0.03 0.06 -0.03 0.47 0.09 0.00 0.00 178.44 179.00 1rjm n ASP 269 N -3.87 0.14 -1.10 -0.43 8.00 0.11 -4.81 116.55 114.59 1rjm n ASP 269 Ca -0.03 -0.19 0.08 0.00 0.71 0.00 0.00 54.79 55.36 1rjm n ASP 269 Cb 0.15 0.41 0.25 0.00 -0.02 0.00 0.00 41.12 41.91 1rjm n ASP 269 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rjm n ASP 270 N -0.42 3.19 0.00 -2.24 8.00 -0.05 -5.03 116.55 120.00 1rjm n ASP 270 Ca 0.00 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1rjm n ASP 270 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1rjm n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjm n GLY 271 N 1.14 2.16 0.37 0.44 0.00 -1.26 -1.50 105.19 106.53 1rjm n GLY 271 Ca 0.18 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1rjm n GLY 271 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rjm h LEU 272 N 0.00 0.83 -0.46 0.99 3.38 -1.95 -0.43 115.31 117.67 1rjm h LEU 272 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rjm h LEU 272 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rjm h LEU 272 CO 0.00 0.49 0.26 0.58 0.09 0.00 0.00 178.44 179.86 1rjm h VAL 273 N 0.92 1.15 -0.84 1.22 2.07 -1.83 0.13 116.25 119.06 1rjm h VAL 273 Ca 0.42 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1rjm h VAL 273 Cb 0.39 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1rjm h VAL 273 CO -0.18 0.16 0.44 1.23 0.02 0.00 0.00 177.57 179.23 1rjm h GLY 274 N 0.61 1.27 1.01 2.17 0.00 -0.09 -1.90 103.07 106.14 1rjm h GLY 274 Ca 0.16 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1rjm h GLY 274 CO -0.03 0.57 -0.11 -1.61 0.00 0.00 0.00 176.54 175.36 1rjm h GLN 275 N 1.19 0.83 -0.50 4.80 4.15 -0.67 -1.56 115.11 123.35 1rjm h GLN 275 Ca 0.29 -0.32 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1rjm h GLN 275 Cb 0.07 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1rjm h GLN 275 CO -0.04 0.95 0.23 0.37 -1.93 0.00 0.00 178.83 178.41 1rjm h GLN 276 N 0.66 0.43 -0.43 1.69 4.15 -0.27 0.26 115.11 121.60 1rjm h GLN 276 Ca 0.11 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.38 1rjm h GLN 276 Cb 0.65 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1rjm h GLN 276 CO 0.04 0.29 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.97 1rjm h LEU 277 N 0.45 0.92 0.05 -2.39 3.38 -1.25 0.99 115.31 117.46 1rjm h LEU 277 Ca 0.23 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rjm h LEU 277 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1rjm h LEU 277 CO -0.19 1.11 -0.02 0.15 0.09 0.00 0.00 178.44 179.58 1rjm h PHE 278 N 0.73 -0.06 -0.62 1.13 3.57 -0.94 -1.39 116.94 119.36 1rjm h PHE 278 Ca 0.10 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1rjm h PHE 278 Cb 0.76 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 1rjm h PHE 278 CO 0.06 0.34 0.33 0.00 -2.23 0.00 0.00 178.31 176.81 1rjm h ALA 279 N 0.44 0.82 -0.89 2.41 0.00 -0.51 -0.17 119.26 121.36 1rjm h ALA 279 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rjm h ALA 279 Cb 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1rjm h ALA 279 CO 0.01 0.00 0.59 0.78 0.00 0.00 0.00 179.25 180.63 1rjm h GLY 280 N 0.62 1.25 1.74 0.00 0.00 -0.74 0.23 103.07 106.18 1rjm h GLY 280 Ca 0.28 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1rjm h GLY 280 CO -0.18 0.45 -0.23 -2.09 0.00 0.00 0.00 176.54 174.50 1rjm h GLU 281 N 1.20 0.31 -0.22 4.80 4.57 -0.43 -2.51 114.58 122.30 1rjm h GLU 281 Ca 0.32 -0.10 -0.20 0.00 -1.18 0.00 0.00 59.36 58.20 1rjm h GLU 281 Cb -0.14 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1rjm h GLU 281 CO -0.07 0.53 -0.66 0.00 -1.18 0.00 0.00 179.01 177.63 1rjm h ALA 282 N 1.48 0.40 -0.84 2.92 0.00 0.04 -3.06 119.26 120.20 1rjm h ALA 282 Ca 0.05 -0.56 0.24 0.00 0.00 0.00 0.00 54.91 54.64 1rjm h ALA 282 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1rjm h ALA 282 CO 0.04 0.69 0.71 1.15 0.00 0.00 0.00 179.25 181.83 1rjm h THR 283 N 0.60 0.39 0.00 0.00 2.02 -0.12 -2.96 112.91 112.83 1rjm h THR 283 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1rjm h THR 283 Cb 1.28 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1rjm h THR 283 CO 0.14 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.57 1rjm n ARG 284 N -3.94 0.00 0.00 6.66 1.74 -1.16 -5.10 116.66 114.86 1rjm n ARG 284 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1rjm n ARG 284 Cb 1.00 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 1rjm n ARG 284 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39