#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjm s ASN 18 N 0.00 7.40 0.39 -2.24 3.84 -1.26 -4.20 114.94 118.87 1rjm s ASN 18 Ca 0.00 1.66 0.06 0.00 0.21 0.00 0.00 52.86 54.79 1rjm s ASN 18 Cb 0.00 -2.51 0.80 0.00 -0.55 0.00 0.00 41.25 38.99 1rjm s ASN 18 CO 0.00 0.17 2.05 -0.65 -2.79 0.00 0.00 177.10 175.88 1rjm h PRO 19 N 4.50 0.62 -6.65 0.43 0.11 -1.78 -3.44 132.00 125.80 1rjm h PRO 19 Ca -0.46 -0.04 -0.52 0.00 0.11 0.00 0.00 66.00 65.09 1rjm h PRO 19 Cb 1.21 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.19 1rjm h PRO 19 CO 0.67 0.41 0.52 0.12 -0.21 0.00 0.00 178.00 179.51 1rjm s PHE 20 N -5.56 3.50 -0.44 0.65 5.36 -1.26 -4.36 117.98 115.87 1rjm s PHE 20 Ca -0.09 1.49 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 1rjm s PHE 20 Cb 0.17 -3.36 0.12 0.00 -0.34 0.00 0.00 43.02 39.61 1rjm s PHE 20 CO 0.74 -0.95 0.19 0.34 -1.46 0.00 0.00 175.22 174.09 1rjm s ASP 21 N 0.10 4.81 0.27 6.13 3.68 -1.26 -4.99 116.67 125.41 1rjm s ASP 21 Ca 0.52 -2.46 -0.01 0.00 2.13 0.00 0.00 52.55 52.73 1rjm s ASP 21 Cb -0.31 -1.70 0.61 0.00 -1.45 0.00 0.00 42.92 40.07 1rjm s ASP 21 CO 0.35 -0.37 1.66 0.00 0.13 0.00 0.00 175.17 176.95 1rjm h ALA 22 N 7.32 1.15 0.00 3.66 0.00 -1.95 0.12 119.26 129.56 1rjm h ALA 22 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rjm h ALA 22 Cb 0.98 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rjm h ALA 22 CO 0.63 -0.40 0.04 0.87 0.00 0.00 0.00 179.25 180.39 1rjm h LYS 23 N 0.24 0.00 0.00 0.00 1.57 -2.04 -2.56 116.57 113.78 1rjm h LYS 23 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1rjm h LYS 23 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1rjm h LYS 23 CO -0.60 0.00 -0.97 0.00 -0.57 0.00 0.00 179.45 177.31 1rjm n ALA 24 N -1.91 3.79 -2.44 3.86 0.00 0.03 -4.91 120.51 118.93 1rjm n ALA 24 Ca -0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 1rjm n ALA 24 Cb 0.09 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.12 2.15 -0.02 0.00 0.52 -0.96 -1.46 118.94 116.05 1rjm s TRP 25 Ca 0.06 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.80 1rjm s TRP 25 Cb 0.15 -0.99 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 1rjm s TRP 25 CO 0.81 0.56 -0.05 1.03 0.02 0.00 0.00 176.95 179.32 1rjm s ARG 26 N -3.23 0.56 0.61 4.98 1.81 -0.08 -4.85 118.95 118.74 1rjm s ARG 26 Ca 0.25 -0.15 -0.19 0.00 -1.72 0.00 0.00 55.73 53.92 1rjm s ARG 26 Cb -0.05 -0.57 -0.03 0.00 -0.45 0.00 0.00 34.95 33.85 1rjm s ARG 26 CO 0.11 0.04 1.27 -0.51 -0.68 0.00 0.00 175.30 175.54 1rjm s LEU 27 N 0.30 3.67 0.20 2.53 1.43 -1.26 0.37 118.68 125.92 1rjm s LEU 27 Ca -0.03 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.40 1rjm s LEU 27 Cb -0.07 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.53 1rjm s LEU 27 CO -0.00 -1.77 0.78 -0.69 0.23 0.00 0.00 176.35 174.90 1rjm s VAL 28 N -1.44 4.42 0.39 -1.59 1.01 -1.00 -4.69 120.40 117.50 1rjm s VAL 28 Ca 0.78 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 64.08 1rjm s VAL 28 Cb -0.36 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1rjm s VAL 28 CO 0.39 0.37 1.12 -1.81 0.00 0.00 0.00 175.10 175.17 1rjm s ASP 29 N -1.38 6.68 0.00 3.32 1.01 -1.26 -3.76 116.67 121.28 1rjm s ASP 29 Ca 0.40 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.90 1rjm s ASP 29 Cb -0.20 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.12 1rjm s ASP 29 CO 0.24 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1rjm n GLY 30 N 0.61 0.80 0.89 0.21 0.00 -1.26 -4.96 105.19 101.47 1rjm n GLY 30 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.35 0.00 0.33 1.61 3.01 -1.25 -4.79 117.46 114.02 1rjm n PHE 31 Ca 0.00 -1.00 0.21 0.00 1.01 0.00 0.00 57.45 57.66 1rjm n PHE 31 Cb 0.00 -0.19 1.14 0.00 -0.01 0.00 0.00 39.48 40.41 1rjm n PHE 31 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1rjm h ASP 32 N 0.87 0.00 0.05 4.37 3.32 -1.93 -2.12 116.42 120.98 1rjm h ASP 32 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1rjm h ASP 32 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1rjm h ASP 32 CO 0.04 0.00 -0.02 -0.90 -1.72 0.00 0.00 179.24 176.64 1rjm n ASP 33 N -3.28 0.76 -4.75 6.45 5.75 -1.26 -4.91 116.55 115.31 1rjm n ASP 33 Ca -0.03 -1.16 -0.41 0.00 -0.01 0.00 0.00 54.79 53.18 1rjm n ASP 33 Cb 0.08 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.08 4.41 0.00 -2.12 1.43 -0.80 -4.92 118.68 114.60 1rjm s LEU 34 Ca 0.40 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1rjm s LEU 34 Cb 0.21 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1rjm s LEU 34 CO 0.37 -0.61 0.00 0.35 0.23 0.00 0.00 176.35 176.70 1rjm n THR 35 N 1.84 0.00 0.73 5.49 -2.24 -1.26 -4.79 114.28 114.05 1rjm n THR 35 Ca 0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 1rjm n THR 35 Cb 0.41 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.93 1.19 -3.97 3.42 9.92 -1.26 -4.86 116.55 119.07 1rjm n ASP 36 Ca 0.00 -1.10 -0.13 0.00 -0.53 0.00 0.00 54.79 53.04 1rjm n ASP 36 Cb 0.46 0.74 -0.13 0.00 -0.64 0.00 0.00 41.12 41.55 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 -2.21 0.27 0.04 0.53 -1.09 -1.26 0.83 121.20 118.31 1rjm s ILE 37 Ca 0.10 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1rjm s ILE 37 Cb 0.13 -0.30 -0.04 0.00 -1.58 0.00 0.00 42.46 40.67 1rjm s ILE 37 CO 0.53 -0.17 -0.09 0.42 -1.23 0.00 0.00 174.94 174.40 1rjm s THR 38 N -0.69 3.46 -0.14 2.92 -4.23 -0.31 -4.78 115.64 111.87 1rjm s THR 38 Ca -0.05 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1rjm s THR 38 Cb -0.05 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1rjm s THR 38 CO -0.00 0.30 0.05 -0.47 -0.54 0.00 0.00 174.62 173.95 1rjm s TYR 39 N -1.06 0.57 0.21 3.99 6.04 -1.26 -1.77 117.35 124.08 1rjm s TYR 39 Ca 0.18 -0.38 0.09 0.00 0.04 0.00 0.00 57.07 57.00 1rjm s TYR 39 Cb -0.11 -0.80 -0.05 0.00 -1.04 0.00 0.00 41.96 39.96 1rjm s TYR 39 CO 0.09 -0.45 -0.16 -1.01 -1.54 0.00 0.00 175.55 172.48 1rjm s HIS 40 N 2.01 1.82 -0.04 4.97 3.76 -0.55 -2.37 115.29 124.89 1rjm s HIS 40 Ca 0.02 -0.52 0.07 0.00 -0.15 0.00 0.00 55.06 54.48 1rjm s HIS 40 Cb -0.15 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.69 1rjm s HIS 40 CO -0.07 0.41 -0.25 0.50 -0.85 0.00 0.00 174.74 174.48 1rjm s ARG 41 N -3.50 2.35 0.47 1.40 6.06 0.16 -0.64 118.95 125.25 1rjm s ARG 41 Ca 0.23 -0.92 -0.23 0.00 -2.50 0.00 0.00 55.73 52.31 1rjm s ARG 41 Cb -0.02 -2.10 -0.07 0.00 0.06 0.00 0.00 34.95 32.82 1rjm s ARG 41 CO 0.08 0.46 1.26 -1.58 -2.50 0.00 0.00 175.30 173.02 1rjm s HIS 42 N -0.37 2.68 0.55 5.12 5.65 -0.08 -0.90 115.29 127.95 1rjm s HIS 42 Ca 0.03 1.46 0.22 0.00 0.25 0.00 0.00 55.06 57.02 1rjm s HIS 42 Cb -0.12 -3.57 1.53 0.00 -1.18 0.00 0.00 32.58 29.24 1rjm s HIS 42 CO 0.02 -2.06 2.20 -0.39 -0.65 0.00 0.00 174.74 173.85 1rjm h VAL 43 N 1.88 0.78 0.00 0.89 -1.51 -1.58 -3.37 116.25 113.34 1rjm h VAL 43 Ca -0.50 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 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 0.60 0.00 -0.59 0.47 -1.23 0.00 0.00 177.57 176.82 1rjm n ASP 44 N -4.21 2.45 -4.88 4.19 8.00 -1.26 -5.10 116.55 115.74 1rjm n ASP 44 Ca -0.03 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.17 1rjm n ASP 44 Cb 0.09 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1rjm n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rjm s ASP 45 N -3.37 6.32 -1.13 -2.24 1.01 -1.26 -4.94 116.67 111.06 1rjm s ASP 45 Ca 0.00 1.26 -0.07 0.00 0.71 0.00 0.00 52.55 54.45 1rjm s ASP 45 Cb 0.00 -2.39 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1rjm s ASP 45 CO 0.00 -0.70 2.93 0.00 0.21 0.00 0.00 175.17 177.62 1rjm n ALA 46 N -2.30 7.06 -2.84 5.23 0.00 -1.26 -4.28 120.51 122.11 1rjm n ALA 46 Ca 0.04 -3.29 -0.16 0.00 0.00 0.00 0.00 53.44 50.02 1rjm n ALA 46 Cb 0.54 -2.91 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 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 0.69 0.45 0.25 0.00 2.01 -1.26 -1.27 115.64 116.51 1rjm s THR 47 Ca 0.64 -0.23 0.11 0.00 0.31 0.00 0.00 61.69 62.52 1rjm s THR 47 Cb 0.23 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 1rjm s THR 47 CO -0.07 0.14 -0.13 0.68 -0.69 0.00 0.00 174.62 174.54 1rjm s VAL 48 N -0.02 2.87 -0.22 3.82 -7.23 -0.77 -0.90 120.40 117.95 1rjm s VAL 48 Ca 0.01 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1rjm s VAL 48 Cb -0.04 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.47 1rjm s VAL 48 CO -0.00 -0.30 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.77 1rjm s ARG 49 N -3.32 2.21 -0.22 4.82 3.52 0.19 -0.86 118.95 125.29 1rjm s ARG 49 Ca 0.28 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 1rjm s ARG 49 Cb -0.06 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1rjm s ARG 49 CO 0.16 -0.45 -0.02 0.08 -0.81 0.00 0.00 175.30 174.26 1rjm s VAL 50 N 1.29 3.68 0.02 7.11 1.01 0.27 -1.48 120.40 132.30 1rjm s VAL 50 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1rjm s VAL 50 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1rjm s VAL 50 CO -0.08 0.41 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 1rjm s ALA 51 N 1.33 0.37 0.17 5.51 0.00 -0.73 -0.96 121.76 127.45 1rjm s ALA 51 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 1rjm s ALA 51 Cb -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1rjm s ALA 51 CO -0.00 0.00 1.29 -0.06 0.00 0.00 0.00 175.76 176.99 1rjm s PHE 52 N -0.75 3.31 -0.47 0.00 0.08 -0.61 -1.16 117.98 118.38 1rjm s PHE 52 Ca -0.05 1.23 0.05 0.00 0.12 0.00 0.00 56.93 58.28 1rjm s PHE 52 Cb -0.06 -3.56 0.40 0.00 -0.57 0.00 0.00 43.02 39.24 1rjm s PHE 52 CO -0.00 -1.74 1.07 -1.71 -0.10 0.00 0.00 175.22 172.73 1rjm n ASN 53 N 2.94 4.64 -2.93 1.36 5.15 0.24 -1.31 115.26 125.36 1rjm n ASN 53 Ca 0.07 -3.71 -0.14 0.00 -0.60 0.00 0.00 54.58 50.20 1rjm n ASN 53 Cb 0.43 -0.49 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.42 1.17 -0.27 1.20 1.74 -1.26 -4.65 116.66 114.17 1rjm n ARG 54 Ca 0.37 -3.39 0.11 0.00 -0.77 0.00 0.00 57.85 54.17 1rjm n ARG 54 Cb 0.59 -1.53 0.36 0.00 -1.02 0.00 0.00 32.46 30.86 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 2.99 0.71 -0.06 5.56 0.11 -1.86 0.87 132.00 140.32 1rjm h PRO 55 Ca 0.02 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.10 1rjm h PRO 55 Cb 1.05 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1rjm h PRO 55 CO 0.52 0.47 0.23 1.05 -0.21 0.00 0.00 178.00 180.05 1rjm h GLU 56 N 0.73 0.00 -0.21 1.05 9.09 -1.92 -1.01 114.58 122.31 1rjm h GLU 56 Ca 0.44 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.67 1rjm h GLU 56 Cb 0.66 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.55 1rjm h GLU 56 CO -0.20 0.00 -0.73 1.33 0.05 0.00 0.00 179.01 179.46 1rjm n VAL 57 N -3.17 1.79 -3.78 -1.06 0.24 -0.12 -4.90 118.33 107.34 1rjm n VAL 57 Ca -0.01 -3.03 -0.28 0.00 -2.04 0.00 0.00 64.34 58.98 1rjm n VAL 57 Cb 0.30 -0.09 0.04 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.68 -5.93 -4.33 7.34 1.74 -0.38 -2.27 116.66 112.14 1rjm n ARG 58 Ca 0.21 0.66 -0.36 0.00 -0.77 0.00 0.00 57.85 57.59 1rjm n ARG 58 Cb 0.85 -5.58 -0.06 0.00 -1.02 0.00 0.00 32.46 26.65 1rjm n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rjm n ASN 59 N -2.83 -1.42 -4.80 0.55 3.02 0.11 -1.91 115.26 107.98 1rjm n ASN 59 Ca 0.03 -1.16 -0.35 0.00 -0.03 0.00 0.00 54.58 53.07 1rjm n ASN 59 Cb 0.54 -2.11 -0.05 0.00 -0.61 0.00 0.00 39.78 37.55 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 -3.61 2.99 -0.11 5.41 0.00 -0.96 -3.24 121.76 122.24 1rjm s ALA 60 Ca 0.52 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1rjm s ALA 60 Cb -0.29 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1rjm s ALA 60 CO 0.98 -0.15 -0.02 -0.59 0.00 0.00 0.00 175.76 175.97 1rjm s PHE 61 N -1.91 3.08 0.42 0.00 -0.12 0.69 -4.91 117.98 115.23 1rjm s PHE 61 Ca 0.62 -0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.57 1rjm s PHE 61 Cb -0.16 -1.86 -0.01 0.00 -0.63 0.00 0.00 43.02 40.36 1rjm s PHE 61 CO 0.21 0.25 0.43 -0.98 -0.05 0.00 0.00 175.22 175.07 1rjm s ARG 62 N -0.34 2.60 0.30 1.99 1.70 -1.26 -4.26 118.95 119.69 1rjm s ARG 62 Ca 0.06 -1.47 0.06 0.00 -0.47 0.00 0.00 55.73 53.91 1rjm s ARG 62 Cb -0.12 -2.47 0.80 0.00 -0.57 0.00 0.00 34.95 32.58 1rjm s ARG 62 CO 0.02 -0.22 1.69 -1.35 -1.08 0.00 0.00 175.30 174.36 1rjm h PRO 63 N 0.93 0.37 -0.28 3.89 0.11 -2.00 0.25 132.00 135.27 1rjm h PRO 63 Ca -0.41 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1rjm h PRO 63 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1rjm h PRO 63 CO 0.54 0.25 0.03 1.25 -0.21 0.00 0.00 178.00 179.85 1rjm h HIS 64 N 0.38 0.41 -0.43 0.65 -0.00 -2.00 -2.47 115.15 111.70 1rjm h HIS 64 Ca 0.59 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.89 1rjm h HIS 64 Cb 1.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1rjm h HIS 64 CO -0.12 0.40 0.07 1.15 -0.00 0.00 0.00 177.93 179.42 1rjm h THR 65 N 0.40 1.24 -0.71 6.26 2.02 -0.87 -2.44 112.91 118.81 1rjm h THR 65 Ca 0.09 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1rjm h THR 65 Cb 0.23 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1rjm h THR 65 CO 0.00 0.31 0.28 0.58 0.37 0.00 0.00 175.52 177.06 1rjm h VAL 66 N 0.57 1.24 -0.32 3.16 2.07 -1.07 0.39 116.25 122.29 1rjm h VAL 66 Ca 0.13 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1rjm h VAL 66 Cb 0.38 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1rjm h VAL 66 CO 0.01 0.31 0.17 0.44 0.02 0.00 0.00 177.57 178.52 1rjm h ASP 67 N 1.03 0.41 -0.35 0.57 3.45 -1.29 0.62 116.42 120.85 1rjm h ASP 67 Ca 0.24 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 1rjm h ASP 67 Cb 0.20 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1rjm h ASP 67 CO -0.02 0.39 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.60 1rjm h GLU 68 N 0.40 0.69 -0.32 3.56 5.08 -1.16 -1.64 114.58 121.19 1rjm h GLU 68 Ca 0.11 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1rjm h GLU 68 Cb 0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1rjm h GLU 68 CO -0.02 0.87 0.16 1.25 -1.00 0.00 0.00 179.01 180.27 1rjm h LEU 69 N 0.48 0.24 -0.30 1.33 5.85 -0.75 0.94 115.31 123.10 1rjm h LEU 69 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1rjm h LEU 69 Cb 0.63 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1rjm h LEU 69 CO 0.04 0.18 0.18 0.22 -0.34 0.00 0.00 178.44 178.71 1rjm h TYR 70 N 0.33 0.33 -0.16 1.25 5.03 -0.79 -0.23 116.97 122.73 1rjm h TYR 70 Ca 0.13 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.47 1rjm h TYR 70 Cb 0.04 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 1rjm h TYR 70 CO -0.10 0.20 0.04 0.00 -1.32 0.00 0.00 178.16 176.98 1rjm h ARG 71 N 0.36 0.11 0.32 1.82 3.08 -0.85 0.12 114.38 119.33 1rjm h ARG 71 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1rjm h ARG 71 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1rjm h ARG 71 CO -0.05 0.07 -0.15 0.28 -1.07 0.00 0.00 179.97 179.05 1rjm h VAL 72 N 0.11 0.70 -0.94 2.04 2.07 -0.62 -1.31 116.25 118.30 1rjm h VAL 72 Ca 0.07 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1rjm h VAL 72 Cb 0.06 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1rjm h VAL 72 CO -0.09 0.02 0.62 -0.07 0.02 0.00 0.00 177.57 178.07 1rjm h LEU 73 N -0.47 1.04 -1.05 2.57 3.38 -0.91 -0.97 115.31 118.91 1rjm h LEU 73 Ca -0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1rjm h LEU 73 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1rjm h LEU 73 CO 0.07 0.73 0.08 -0.78 0.09 0.00 0.00 178.44 178.63 1rjm h ASP 74 N 1.21 0.71 -0.50 -0.43 3.58 -0.59 0.32 116.42 120.73 1rjm h ASP 74 Ca 0.36 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 1rjm h ASP 74 Cb -0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1rjm h ASP 74 CO -0.10 0.73 -0.17 -0.74 -2.88 0.00 0.00 179.24 176.08 1rjm h HIS 75 N 0.73 1.14 -0.61 0.28 2.76 -0.28 -2.63 115.15 116.53 1rjm h HIS 75 Ca 0.16 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 57.99 1rjm h HIS 75 Cb 0.33 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1rjm h HIS 75 CO 0.02 1.09 0.07 0.00 -1.30 0.00 0.00 177.93 177.81 1rjm h ALA 76 N 0.89 0.96 -0.80 5.26 0.00 -0.68 -2.24 119.26 122.65 1rjm h ALA 76 Ca 0.12 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1rjm h ALA 76 Cb 0.75 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1rjm h ALA 76 CO 0.06 0.64 0.53 -0.09 0.00 0.00 0.00 179.25 180.39 1rjm h ARG 77 N 0.95 0.86 -0.05 0.00 2.43 -0.69 -2.09 114.38 115.79 1rjm h ARG 77 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rjm h ARG 77 Cb 0.45 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1rjm h ARG 77 CO 0.02 0.57 0.00 -1.33 -1.51 0.00 0.00 179.97 177.72 1rjm n MET 78 N -4.48 1.77 -2.71 0.20 2.81 -0.98 -4.79 117.12 108.94 1rjm n MET 78 Ca 0.12 -1.13 -0.42 0.00 -1.81 0.00 0.00 57.70 54.46 1rjm n MET 78 Cb 0.20 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.92 6.26 0.51 7.83 0.01 -0.79 -4.90 113.70 120.71 1rjm s SER 79 Ca 0.36 -0.47 0.26 0.00 1.31 0.00 0.00 55.95 57.41 1rjm s SER 79 Cb 0.20 -2.49 1.37 0.00 0.21 0.00 0.00 66.02 65.31 1rjm s SER 79 CO 0.32 -1.52 1.95 -0.65 0.41 0.00 0.00 173.24 173.74 1rjm h PRO 80 N 9.65 0.07 -0.57 12.44 0.11 -1.86 -1.33 132.00 150.50 1rjm h PRO 80 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rjm h PRO 80 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rjm h PRO 80 CO 1.19 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1rjm n ASP 81 N -4.37 3.16 -4.30 -2.05 5.75 -1.26 -4.84 116.55 108.65 1rjm n ASP 81 Ca 0.13 -2.14 -0.34 0.00 -0.01 0.00 0.00 54.79 52.43 1rjm n ASP 81 Cb 0.71 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.50 3.09 -0.12 2.12 1.01 -0.50 -4.52 120.40 119.98 1rjm s VAL 82 Ca 0.36 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1rjm s VAL 82 Cb 0.21 -2.37 -0.16 0.00 0.00 0.00 0.00 36.38 34.07 1rjm s VAL 82 CO 0.21 0.47 0.28 0.61 0.00 0.00 0.00 175.10 176.67 1rjm n GLY 83 N 4.44 -0.39 2.93 4.51 0.00 -0.39 -4.90 105.19 111.39 1rjm n GLY 83 Ca -0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.59 0.42 -0.15 1.61 1.01 -1.08 -2.51 120.40 117.12 1rjm s VAL 84 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1rjm s VAL 84 Cb 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1rjm s VAL 84 CO 0.45 0.15 -0.11 -0.69 0.00 0.00 0.00 175.10 174.90 1rjm s VAL 85 N 0.30 3.13 -0.29 2.92 1.01 -0.24 -1.85 120.40 125.37 1rjm s VAL 85 Ca -0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1rjm s VAL 85 Cb -0.07 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1rjm s VAL 85 CO -0.00 0.50 0.15 -0.76 0.00 0.00 0.00 175.10 174.98 1rjm s LEU 86 N 0.64 3.93 -0.25 3.92 1.43 -0.04 -0.40 118.68 127.90 1rjm s LEU 86 Ca -0.06 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1rjm s LEU 86 Cb -0.15 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1rjm s LEU 86 CO 0.03 -0.12 0.05 -0.22 0.23 0.00 0.00 176.35 176.32 1rjm s LEU 87 N 1.66 3.41 0.00 1.79 2.96 0.43 -0.56 118.68 128.37 1rjm s LEU 87 Ca 0.06 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1rjm s LEU 87 Cb -0.16 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1rjm s LEU 87 CO 0.07 -0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.11 1rjm n THR 88 N 4.90 0.00 -4.53 3.68 5.66 -0.14 0.12 114.28 123.96 1rjm n THR 88 Ca -0.16 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 1rjm n THR 88 Cb 0.51 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.14 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 -0.73 0.62 0.42 1.09 0.00 -1.26 -1.57 107.32 105.89 1rjm s GLY 89 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.03 1rjm s GLY 89 CO 0.00 -0.29 0.95 -1.31 0.00 0.00 0.00 173.10 172.45 1rjm s ASN 90 N -0.06 6.96 0.34 1.64 0.01 -0.43 -4.84 114.94 118.57 1rjm s ASN 90 Ca 0.01 1.73 -0.14 0.00 -0.71 0.00 0.00 52.86 53.74 1rjm s ASN 90 Cb -0.07 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.10 1rjm s ASN 90 CO 0.00 -0.35 0.72 0.61 -1.51 0.00 0.00 177.10 176.58 1rjm n GLY 91 N -0.45 1.06 3.67 0.66 0.00 -1.26 -4.47 105.19 104.39 1rjm n GLY 91 Ca 0.06 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.49 -0.35 -1.81 1.61 -0.04 -1.26 -4.99 135.00 127.67 1rjm n PRO 92 Ca -0.08 -2.42 -0.42 0.00 -0.04 0.00 0.00 63.50 60.54 1rjm n PRO 92 Cb 0.53 -0.79 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 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 -5.03 6.53 0.44 3.54 0.15 0.18 -4.81 113.70 114.70 1rjm s SER 93 Ca 0.65 2.54 0.21 0.00 0.70 0.00 0.00 55.95 60.05 1rjm s SER 93 Cb -0.03 -2.54 1.17 0.00 -1.71 0.00 0.00 66.02 62.91 1rjm s SER 93 CO 0.44 -0.98 1.83 -0.65 1.20 0.00 0.00 173.24 175.07 1rjm h PRO 94 N 9.56 0.31 -0.96 5.44 0.11 -1.90 -0.34 132.00 144.21 1rjm h PRO 94 Ca -0.45 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 1rjm h PRO 94 Cb 1.21 -0.07 -0.38 0.00 0.11 0.00 0.00 31.00 31.87 1rjm h PRO 94 CO 0.94 0.21 -0.28 0.36 -0.21 0.00 0.00 178.00 179.02 1rjm n LYS 95 N -4.49 3.32 0.00 1.05 2.85 -1.26 -4.62 118.16 115.00 1rjm n LYS 95 Ca 0.21 -3.95 0.00 0.00 -1.05 0.00 0.00 58.31 53.52 1rjm n LYS 95 Cb 0.83 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1rjm n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1rjm n ASP 96 N -0.73 0.00 -0.57 -5.58 5.75 -1.14 -4.98 116.55 109.30 1rjm n ASP 96 Ca 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 55.19 1rjm n ASP 96 Cb 0.82 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.88 1rjm n ASP 96 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rjm n GLY 97 N 0.00 0.71 3.89 6.12 0.00 -0.15 -4.94 105.19 110.83 1rjm n GLY 97 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.28 1.60 0.06 -0.02 0.00 -1.26 -4.54 107.32 100.89 1rjm s GLY 98 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1rjm s GLY 98 CO 0.00 -0.07 -0.05 -0.98 0.00 0.00 0.00 173.10 172.00 1rjm s TRP 99 N -2.93 2.89 -0.23 1.90 0.52 -1.26 0.50 118.94 120.33 1rjm s TRP 99 Ca 0.51 -0.06 -0.18 0.00 0.02 0.00 0.00 56.10 56.40 1rjm s TRP 99 Cb -0.11 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.74 1rjm s TRP 99 CO 0.48 0.43 0.58 0.00 0.02 0.00 0.00 176.95 178.47 1rjm s ALA 100 N -1.18 -1.48 -0.15 0.98 0.00 -1.26 -2.49 121.76 116.18 1rjm s ALA 100 Ca 0.22 1.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.81 1rjm s ALA 100 Cb -0.11 -1.06 -0.14 0.00 0.00 0.00 0.00 23.12 21.81 1rjm s ALA 100 CO 0.13 -0.30 0.27 0.35 0.00 0.00 0.00 175.76 176.21 1rjm h PHE 101 N 5.88 0.00 -1.28 0.00 3.57 -1.10 -3.41 116.94 120.60 1rjm h PHE 101 Ca -0.30 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.34 1rjm h PHE 101 Cb 1.18 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.67 1rjm h PHE 101 CO 0.30 0.68 0.29 0.00 -2.23 0.00 0.00 178.31 177.35 1rjm n SER 103 N 4.38 3.91 0.00 0.00 3.41 -0.80 -1.77 113.62 122.75 1rjm n SER 103 Ca -0.14 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1rjm n SER 103 Cb 0.55 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1rjm n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjm n GLY 104 N 1.36 -1.80 3.38 5.00 0.00 -0.98 -4.47 105.19 107.67 1rjm n GLY 104 Ca 0.23 -1.81 -0.31 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 -2.14 4.92 -0.02 0.00 -1.26 -0.22 105.19 106.47 1rjm n GLY 105 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.40 0.00 0.24 1.61 -0.00 -1.26 -4.67 115.22 106.74 1rjm n HIS 135 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.82 1rjm n HIS 135 Cb 0.58 0.00 0.58 0.00 -0.00 0.00 0.00 29.99 31.15 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 1.05 -0.36 3.57 6.09 -1.99 0.85 117.51 126.71 1rjm h ILE 136 Ca 0.00 -0.22 -0.06 0.00 -1.37 0.00 0.00 64.86 63.20 1rjm h ILE 136 Cb 0.00 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 1rjm h ILE 136 CO 0.00 0.07 -0.03 -0.07 -3.07 0.00 0.00 178.15 175.05 1rjm h LEU 137 N 0.02 0.56 -0.71 2.19 3.38 -2.02 -0.75 115.31 117.97 1rjm h LEU 137 Ca 0.00 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1rjm h LEU 137 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1rjm h LEU 137 CO 0.01 0.65 -0.21 -0.33 0.09 0.00 0.00 178.44 178.65 1rjm h GLU 138 N 0.55 0.77 -0.80 1.13 5.08 -1.30 -1.98 114.58 118.03 1rjm h GLU 138 Ca 0.11 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1rjm h GLU 138 Cb 0.40 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1rjm h GLU 138 CO 0.02 0.91 0.33 0.28 -1.00 0.00 0.00 179.01 179.55 1rjm h VAL 139 N 0.67 1.26 -0.48 3.13 2.07 -0.61 -1.08 116.25 121.22 1rjm h VAL 139 Ca 0.10 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1rjm h VAL 139 Cb 0.71 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1rjm h VAL 139 CO 0.05 0.34 0.30 1.56 0.02 0.00 0.00 177.57 179.84 1rjm h GLN 140 N 1.17 0.58 -0.23 1.57 4.20 -0.70 -1.56 115.11 120.14 1rjm h GLN 140 Ca 0.27 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 1rjm h GLN 140 Cb 0.21 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1rjm h GLN 140 CO -0.02 0.38 -0.27 0.00 -0.67 0.00 0.00 178.83 178.25 1rjm h ARG 141 N 0.60 0.44 -0.54 1.46 3.08 -1.05 -0.15 114.38 118.22 1rjm h ARG 141 Ca 0.19 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1rjm h ARG 141 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1rjm h ARG 141 CO -0.07 0.68 0.27 1.25 -1.07 0.00 0.00 179.97 181.03 1rjm h LEU 142 N 0.39 0.70 -0.44 3.04 5.85 -0.64 0.39 115.31 124.60 1rjm h LEU 142 Ca 0.06 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1rjm h LEU 142 Cb 0.68 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1rjm h LEU 142 CO 0.05 0.62 -0.05 0.40 -0.34 0.00 0.00 178.44 179.11 1rjm h ILE 143 N 0.72 1.27 -0.32 4.05 2.04 -1.04 -1.43 117.51 122.81 1rjm h ILE 143 Ca 0.19 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1rjm h ILE 143 Cb 0.09 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1rjm h ILE 143 CO -0.03 0.39 0.10 -0.09 0.00 0.00 0.00 178.15 178.52 1rjm h ARG 144 N 0.64 0.49 0.00 2.37 9.65 -0.58 -3.29 114.38 123.66 1rjm h ARG 144 Ca 0.12 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1rjm h ARG 144 Cb 0.57 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1rjm h ARG 144 CO 0.03 0.53 -0.66 0.74 2.80 0.00 0.00 179.97 183.41 1rjm h PHE 145 N 0.36 0.00 -3.40 2.20 0.04 -0.25 -3.47 116.94 112.41 1rjm h PHE 145 Ca 0.10 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.35 1rjm h PHE 145 Cb 0.24 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.45 1rjm h PHE 145 CO 0.01 0.00 0.73 0.00 -0.60 0.00 0.00 178.31 178.45 1rjm s MET 146 N -3.25 4.30 0.00 1.51 0.23 -0.54 -4.86 119.30 116.69 1rjm s MET 146 Ca 0.04 2.24 -0.03 0.00 -1.03 0.00 0.00 55.69 56.90 1rjm s MET 146 Cb 0.11 -3.13 -0.15 0.00 -1.53 0.00 0.00 34.83 30.13 1rjm s MET 146 CO 0.74 -0.37 2.49 -0.35 -2.03 0.00 0.00 175.02 175.49 1rjm n PRO 147 N 2.35 1.30 -3.83 3.16 -0.04 -1.26 -4.74 135.00 131.93 1rjm n PRO 147 Ca 0.06 -0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 1rjm n PRO 147 Cb 0.41 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 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 1.25 0.70 -0.12 0.54 1.02 -1.26 -4.72 119.74 117.15 1rjm s LYS 148 Ca 0.37 -0.57 -0.26 0.00 0.02 0.00 0.00 55.97 55.53 1rjm s LYS 148 Cb 0.18 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.76 1rjm s LYS 148 CO 0.00 -0.20 0.86 0.08 -0.92 0.00 0.00 175.35 175.17 1rjm s VAL 149 N -2.42 4.89 -0.29 3.17 1.01 -1.04 -4.93 120.40 120.79 1rjm s VAL 149 Ca -0.06 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.56 1rjm s VAL 149 Cb -0.02 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1rjm s VAL 149 CO -0.03 0.07 0.11 -0.69 0.00 0.00 0.00 175.10 174.57 1rjm s VAL 150 N 1.79 4.39 -0.22 2.92 1.01 -1.26 -1.08 120.40 127.94 1rjm s VAL 150 Ca 0.42 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1rjm s VAL 150 Cb -0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1rjm s VAL 150 CO 0.16 0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.82 1rjm s ILE 151 N 1.59 4.23 -0.16 2.22 1.01 0.46 -1.35 121.20 129.20 1rjm s ILE 151 Ca 0.05 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1rjm s ILE 151 Cb -0.17 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1rjm s ILE 151 CO 0.05 0.39 0.48 0.00 0.00 0.00 0.00 174.94 175.86 1rjm s LEU 153 N 1.05 5.59 -0.68 0.00 1.43 0.12 -1.32 118.68 124.87 1rjm s LEU 153 Ca 0.24 -1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 51.18 1rjm s LEU 153 Cb -0.15 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1rjm s LEU 153 CO 0.10 -0.66 1.17 -0.69 0.23 0.00 0.00 176.35 176.50 1rjm s VAL 154 N 1.33 3.95 -1.13 -1.59 1.01 -0.27 -4.28 120.40 119.43 1rjm s VAL 154 Ca 0.06 0.34 0.25 0.00 0.00 0.00 0.00 61.98 62.62 1rjm s VAL 154 Cb -0.25 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1rjm s VAL 154 CO -0.01 -1.62 1.35 -0.46 0.00 0.00 0.00 175.10 174.36 1rjm n ASN 155 N 8.71 0.69 0.00 3.32 6.94 -1.26 -0.81 115.26 132.84 1rjm n ASN 155 Ca 0.03 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.10 1rjm n ASN 155 Cb 0.48 0.36 0.00 0.00 -2.36 0.00 0.00 39.78 38.26 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 1.48 3.02 3.73 4.83 0.00 -1.26 -4.31 105.19 112.67 1rjm n GLY 156 Ca 0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.43 3.13 -0.48 1.61 0.52 -1.04 -1.19 118.94 121.93 1rjm s TRP 157 Ca 0.00 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.13 1rjm s TRP 157 Cb 0.00 -3.76 0.14 0.00 -1.15 0.00 0.00 33.47 28.70 1rjm s TRP 157 CO 0.00 -2.56 0.27 0.00 0.02 0.00 0.00 176.95 174.69 1rjm s ALA 158 N 0.48 2.52 0.16 0.98 0.00 0.13 -0.70 121.76 125.33 1rjm s ALA 158 Ca 0.62 -2.85 0.10 0.00 0.00 0.00 0.00 51.96 49.83 1rjm s ALA 158 Cb -0.40 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1rjm s ALA 158 CO 0.37 -2.05 -0.22 0.00 0.00 0.00 0.00 175.76 173.86 1rjm s ALA 159 N 0.03 2.22 0.00 0.00 0.00 -0.73 -2.10 121.76 121.19 1rjm s ALA 159 Ca 0.19 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1rjm s ALA 159 Cb -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1rjm s ALA 159 CO -0.02 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1rjm n GLY 160 N 0.49 3.37 0.30 0.00 0.00 -1.01 -0.91 105.19 107.43 1rjm n GLY 160 Ca -0.15 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 1.37 -0.02 0.00 -1.90 0.33 103.07 102.85 1rjm h GLY 161 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1rjm h GLY 161 CO 0.00 0.00 -0.18 -1.33 0.00 0.00 0.00 176.54 175.03 1rjm h GLY 162 N 0.00 0.79 0.99 4.60 0.00 -1.20 -1.78 103.07 106.47 1rjm h GLY 162 Ca 0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1rjm h GLY 162 CO -0.00 0.59 -0.05 0.84 0.00 0.00 0.00 176.54 177.92 1rjm h HIS 163 N 0.65 0.89 -0.24 5.60 2.76 -0.86 -2.85 115.15 121.10 1rjm h HIS 163 Ca 0.10 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1rjm h HIS 163 Cb 0.67 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1rjm h HIS 163 CO 0.03 0.88 0.01 0.77 -1.30 0.00 0.00 177.93 178.33 1rjm h SER 164 N 0.63 0.32 -0.61 3.26 0.02 -1.12 -1.90 113.55 114.14 1rjm h SER 164 Ca 0.12 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1rjm h SER 164 Cb 0.56 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1rjm h SER 164 CO 0.03 0.36 0.03 -0.07 -1.14 0.00 0.00 176.83 176.05 1rjm h LEU 165 N 0.34 1.03 -0.66 5.07 3.38 -1.11 -2.41 115.31 120.95 1rjm h LEU 165 Ca 0.08 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1rjm h LEU 165 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1rjm h LEU 165 CO 0.00 1.06 0.00 -0.74 0.09 0.00 0.00 178.44 178.86 1rjm h HIS 166 N 0.98 1.14 -0.83 1.13 -0.00 -1.15 -2.82 115.15 113.59 1rjm h HIS 166 Ca 0.18 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1rjm h HIS 166 Cb 0.51 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 1rjm h HIS 166 CO 0.04 1.00 0.49 0.28 -0.00 0.00 0.00 177.93 179.74 1rjm h VAL 167 N 0.96 1.24 0.00 5.26 2.07 -1.10 -2.72 116.25 121.95 1rjm h VAL 167 Ca 0.17 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rjm h VAL 167 Cb 0.55 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1rjm h VAL 167 CO 0.03 0.25 0.00 1.62 0.02 0.00 0.00 177.57 179.49 1rjm h VAL 168 N 1.14 0.00 -4.15 2.57 3.04 -1.33 -3.45 116.25 114.07 1rjm h VAL 168 Ca 0.30 -0.72 -0.52 0.00 -1.01 0.00 0.00 66.70 64.74 1rjm h VAL 168 Cb -0.02 1.70 0.12 0.00 -2.01 0.00 0.00 31.29 31.09 1rjm h VAL 168 CO -0.05 0.00 0.42 0.00 -1.01 0.00 0.00 177.57 176.93 1rjm h ASP 170 N 0.28 0.86 -5.08 0.00 3.32 -1.53 -3.45 116.42 110.82 1rjm h ASP 170 Ca -0.49 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 1rjm h ASP 170 Cb 1.28 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 1rjm h ASP 170 CO 0.53 0.81 -0.62 -0.76 -1.72 0.00 0.00 179.24 177.48 1rjm s LEU 171 N -9.45 2.10 -0.03 1.55 1.43 -1.05 -5.02 118.68 108.21 1rjm s LEU 171 Ca -0.10 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1rjm s LEU 171 Cb 0.16 0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.74 1rjm s LEU 171 CO 0.81 -0.45 -0.02 -0.89 0.23 0.00 0.00 176.35 176.03 1rjm s THR 172 N -2.44 0.32 0.04 5.49 2.01 -1.26 -0.57 115.64 119.22 1rjm s THR 172 Ca -0.07 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1rjm s THR 172 Cb -0.03 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1rjm s THR 172 CO -0.04 0.16 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.05 1rjm s LEU 173 N 0.81 2.28 0.03 4.42 1.43 -0.43 -0.35 118.68 126.87 1rjm s LEU 173 Ca -0.09 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1rjm s LEU 173 Cb -0.12 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1rjm s LEU 173 CO -0.01 0.26 -0.05 0.00 0.23 0.00 0.00 176.35 176.78 1rjm s ALA 174 N -0.83 0.32 -0.12 4.21 0.00 -0.77 -1.12 121.76 123.46 1rjm s ALA 174 Ca 0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1rjm s ALA 174 Cb -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1rjm s ALA 174 CO 0.03 -0.07 1.63 0.45 0.00 0.00 0.00 175.76 177.80 1rjm s SER 175 N -1.28 6.56 0.15 0.00 0.15 0.01 -1.20 113.70 118.10 1rjm s SER 175 Ca -0.11 2.00 -0.17 0.00 0.70 0.00 0.00 55.95 58.37 1rjm s SER 175 Cb -0.09 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1rjm s SER 175 CO -0.00 -1.05 1.72 -0.09 1.20 0.00 0.00 173.24 175.02 1rjm h ARG 176 N 9.97 0.16 -0.12 5.44 2.43 -1.29 -0.56 114.38 130.40 1rjm h ARG 176 Ca -0.37 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.68 1rjm h ARG 176 Cb 1.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1rjm h ARG 176 CO 0.97 0.10 -0.38 0.93 -1.51 0.00 0.00 179.97 180.08 1rjm h GLU 177 N 0.16 0.48 0.00 0.20 3.07 -1.91 -3.41 114.58 113.17 1rjm h GLU 177 Ca 0.16 -0.35 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1rjm h GLU 177 Cb 0.19 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1rjm h GLU 177 CO -0.23 0.97 -0.65 0.66 -1.40 0.00 0.00 179.01 178.36 1rjm n TYR 178 N -4.32 0.00 -1.94 4.33 4.01 -1.20 -4.99 117.16 113.05 1rjm n TYR 178 Ca -0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 1rjm n TYR 178 Cb 0.53 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.15 3.68 -0.08 -0.72 0.00 -0.22 -4.11 121.76 118.16 1rjm s ALA 179 Ca 0.03 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1rjm s ALA 179 Cb 0.08 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1rjm s ALA 179 CO 0.46 -0.81 0.07 1.03 0.00 0.00 0.00 175.76 176.51 1rjm s ARG 180 N -0.17 -0.03 -0.21 0.00 1.81 -0.33 -3.98 118.95 116.04 1rjm s ARG 180 Ca 0.62 0.25 -0.09 0.00 -1.72 0.00 0.00 55.73 54.79 1rjm s ARG 180 Cb -0.44 -0.89 -0.04 0.00 -0.45 0.00 0.00 34.95 33.13 1rjm s ARG 180 CO 0.43 -0.42 0.10 -0.06 -0.68 0.00 0.00 175.30 174.66 1rjm s PHE 181 N 2.16 3.28 -0.22 -0.53 0.40 0.25 0.19 117.98 123.50 1rjm s PHE 181 Ca 0.04 0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 1rjm s PHE 181 Cb -0.13 -2.17 0.11 0.00 0.51 0.00 0.00 43.02 41.34 1rjm s PHE 181 CO -0.05 0.10 0.44 0.21 0.70 0.00 0.00 175.22 176.61 1rjm s LYS 182 N 0.71 0.36 -0.78 0.44 2.20 -0.89 -0.19 119.74 121.60 1rjm s LYS 182 Ca 0.05 0.95 -0.20 0.00 -0.36 0.00 0.00 55.97 56.42 1rjm s LYS 182 Cb -0.13 0.20 0.11 0.00 -1.51 0.00 0.00 37.83 36.50 1rjm s LYS 182 CO 0.02 -0.36 0.99 -1.14 -0.36 0.00 0.00 175.35 174.50 1rjm s GLN 183 N 2.63 3.34 0.00 4.03 2.00 -1.26 -2.41 119.66 127.99 1rjm s GLN 183 Ca 0.03 -1.40 0.26 0.00 -2.00 0.00 0.00 55.36 52.25 1rjm s GLN 183 Cb -0.13 -4.56 0.72 0.00 0.80 0.00 0.00 33.01 29.85 1rjm s GLN 183 CO -0.14 -1.73 1.56 0.25 -0.50 0.00 0.00 175.29 174.72 1rjm n THR 184 N 5.60 0.00 -0.23 -0.34 -2.24 -1.26 -4.35 114.28 111.46 1rjm n THR 184 Ca 0.09 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1rjm n THR 184 Cb 0.47 0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1rjm n THR 184 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rjm h ASP 185 N 0.13 -1.10 -0.82 3.42 3.32 -1.89 -1.96 116.42 117.52 1rjm h ASP 185 Ca 0.00 0.23 0.17 0.00 0.02 0.00 0.00 57.03 57.45 1rjm h ASP 185 Cb 0.49 0.57 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 1rjm h ASP 185 CO 0.00 -0.29 0.36 0.00 -1.72 0.00 0.00 179.24 177.58 1rjm h ALA 186 N 1.17 1.22 -0.21 3.45 0.00 -1.76 0.43 119.26 123.56 1rjm h ALA 186 Ca 0.27 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1rjm h ALA 186 Cb 0.55 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rjm h ALA 186 CO -0.72 -0.22 0.00 -0.40 0.00 0.00 0.00 179.25 177.90 1rjm n ASP 187 N -4.99 1.36 -0.12 0.00 5.68 -0.76 -2.69 116.55 115.03 1rjm n ASP 187 Ca 0.17 -2.04 0.03 0.00 -0.50 0.00 0.00 54.79 52.46 1rjm n ASP 187 Cb 0.49 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.15 0.00 0.00 2.12 0.31 0.14 -4.97 118.33 116.08 1rjm n VAL 188 Ca 0.08 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1rjm n VAL 188 Cb 0.24 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 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 0.86 2.41 4.01 2.92 0.00 -0.66 -5.01 105.19 109.73 1rjm n GLY 189 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.00 5.33 -0.15 1.61 0.15 -0.94 -4.97 113.70 111.73 1rjm s SER 190 Ca 0.00 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 1rjm s SER 190 Cb 0.00 -0.35 0.13 0.00 -1.71 0.00 0.00 66.02 64.09 1rjm s SER 190 CO 0.00 -1.08 1.03 0.72 1.20 0.00 0.00 173.24 175.11 1rjm s PHE 191 N -2.57 -0.32 -0.39 3.44 -0.71 -1.26 -3.06 117.98 113.12 1rjm s PHE 191 Ca 0.58 0.48 -0.03 0.00 -1.04 0.00 0.00 56.93 56.92 1rjm s PHE 191 Cb -0.08 0.47 0.10 0.00 -1.21 0.00 0.00 43.02 42.30 1rjm s PHE 191 CO 0.36 -0.34 0.16 0.34 -1.34 0.00 0.00 175.22 174.41 1rjm s ASP 192 N -1.40 5.18 -0.15 1.98 2.15 -1.26 -4.96 116.67 118.22 1rjm s ASP 192 Ca 0.01 -1.88 0.07 0.00 0.43 0.00 0.00 52.55 51.18 1rjm s ASP 192 Cb -0.01 -1.80 0.45 0.00 -0.30 0.00 0.00 42.92 41.26 1rjm s ASP 192 CO -0.01 -0.48 1.24 0.61 -0.17 0.00 0.00 175.17 176.36 1rjm n GLY 193 N 4.59 2.47 0.00 2.66 0.00 -1.26 -3.07 105.19 110.58 1rjm n GLY 193 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.26 1.60 0.22 -0.02 0.00 -1.26 -4.59 105.19 101.40 1rjm n GLY 194 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.28 -0.74 1.61 0.05 -1.96 -1.49 116.97 114.71 1rjm h TYR 195 Ca 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1rjm h TYR 195 Cb 0.00 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1rjm h TYR 195 CO 0.00 0.49 0.30 0.78 -1.05 0.00 0.00 178.16 178.67 1rjm h GLY 196 N 0.95 1.17 0.00 3.88 0.00 -1.82 -3.29 103.07 103.97 1rjm h GLY 196 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1rjm h GLY 196 CO 0.04 0.59 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1rjm n SER 197 N -4.29 0.00 -0.28 0.19 3.41 -1.12 -4.31 113.62 107.23 1rjm n SER 197 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.76 1rjm n SER 197 Cb 0.18 -0.26 0.22 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.52 1.01 0.00 7.33 0.00 -1.51 0.23 119.26 124.80 1rjm h ALA 198 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1rjm h ALA 198 Cb 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1rjm h ALA 198 CO 0.00 -0.44 -0.27 -0.92 0.00 0.00 0.00 179.25 177.62 1rjm h TYR 199 N 0.16 0.00 -0.46 0.00 3.20 -1.58 -2.00 116.97 116.27 1rjm h TYR 199 Ca 0.48 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.33 1rjm h TYR 199 Cb 0.90 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1rjm h TYR 199 CO -0.35 0.27 0.20 1.25 -1.64 0.00 0.00 178.16 177.89 1rjm h LEU 200 N 0.00 0.59 -1.82 2.82 5.85 -0.64 -1.08 115.31 121.02 1rjm h LEU 200 Ca -0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1rjm h LEU 200 Cb 0.56 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1rjm h LEU 200 CO 0.04 0.52 -0.12 0.00 -0.34 0.00 0.00 178.44 178.54 1rjm h ALA 201 N 1.57 1.71 0.00 1.25 0.00 -1.14 0.96 119.26 123.61 1rjm h ALA 201 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rjm h ALA 201 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rjm h ALA 201 CO -0.02 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.92 1rjm n ARG 202 N -4.25 0.82 -0.04 0.00 5.12 -0.41 -1.05 116.66 116.84 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 0.19 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 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 -1.03 0.20 0.00 5.56 6.02 0.19 -4.81 117.38 123.52 1rjm n GLN 203 Ca 0.20 0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.32 1rjm n GLN 203 Cb 0.11 -0.96 0.02 0.00 1.02 0.00 0.00 30.24 30.42 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 -3.15 0.00 0.00 5.09 0.24 -0.38 -4.51 118.33 115.63 1rjm n VAL 204 Ca -0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1rjm n VAL 204 Cb 0.64 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 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 0.92 0.96 0.28 7.63 0.00 -0.22 -4.38 105.19 110.39 1rjm n GLY 205 Ca 0.06 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.56 0.29 1.61 1.08 -1.94 -2.14 115.11 114.58 1rjm h GLN 206 Ca 0.00 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1rjm h GLN 206 Cb 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1rjm h GLN 206 CO 0.00 0.57 -0.14 0.87 -0.95 0.00 0.00 178.83 179.18 1rjm h LYS 207 N 0.54 -0.37 -0.50 1.46 1.79 -1.95 -2.49 116.57 115.05 1rjm h LYS 207 Ca 0.12 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1rjm h LYS 207 Cb 0.31 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1rjm h LYS 207 CO 0.01 -0.05 0.05 0.74 -1.08 0.00 0.00 179.45 179.12 1rjm h PHE 208 N -0.74 0.85 -0.36 -1.35 0.04 -1.76 -1.95 116.94 111.66 1rjm h PHE 208 Ca -0.04 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1rjm h PHE 208 Cb 0.50 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1rjm h PHE 208 CO 0.03 0.76 0.16 0.00 -0.60 0.00 0.00 178.31 178.65 1rjm h ALA 209 N 1.29 0.47 -0.71 2.45 0.00 -1.43 -0.60 119.26 120.73 1rjm h ALA 209 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1rjm h ALA 209 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1rjm h ALA 209 CO 0.01 0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.60 1rjm h ARG 210 N 0.44 1.05 0.31 0.00 3.08 -1.28 -2.39 114.38 115.59 1rjm h ARG 210 Ca 0.12 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1rjm h ARG 210 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1rjm h ARG 210 CO -0.01 0.85 -0.15 1.49 -1.07 0.00 0.00 179.97 181.08 1rjm h GLU 211 N 1.03 -0.40 -0.78 0.04 4.81 -1.02 0.21 114.58 118.48 1rjm h GLU 211 Ca 0.24 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.65 1rjm h GLU 211 Cb 0.19 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.56 1rjm h GLU 211 CO -0.02 -0.20 0.30 0.82 -0.73 0.00 0.00 179.01 179.18 1rjm h ILE 212 N -0.50 0.61 0.18 2.32 2.04 -0.88 -1.81 117.51 119.45 1rjm h ILE 212 Ca -0.04 -0.14 -0.27 0.00 1.00 0.00 0.00 64.86 65.40 1rjm h ILE 212 Cb 0.38 0.15 0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1rjm h ILE 212 CO 0.07 0.08 -1.27 -0.26 0.00 0.00 0.00 178.15 176.76 1rjm h PHE 213 N 0.42 0.68 -0.56 1.37 -1.00 -1.34 -2.60 116.94 113.91 1rjm h PHE 213 Ca 0.44 -0.50 -0.06 0.00 2.81 0.00 0.00 57.97 60.66 1rjm h PHE 213 Cb 0.71 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1rjm h PHE 213 CO -0.17 1.49 0.11 0.74 -1.61 0.00 0.00 178.31 178.87 1rjm h PHE 214 N -0.14 0.96 0.00 -0.55 0.04 -0.38 -3.30 116.94 113.57 1rjm h PHE 214 Ca -0.24 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.31 1rjm h PHE 214 Cb 1.89 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.76 1rjm h PHE 214 CO 0.15 0.83 -1.73 1.28 -0.60 0.00 0.00 178.31 178.24 1rjm n LEU 215 N -4.38 0.37 -3.56 1.54 4.32 -0.70 -5.00 117.00 109.60 1rjm n LEU 215 Ca 0.02 0.15 -0.24 0.00 -0.02 0.00 0.00 56.01 55.92 1rjm n LEU 215 Cb 0.25 0.09 0.07 0.00 -1.62 0.00 0.00 43.42 42.21 1rjm n LEU 215 CO 0.41 0.08 0.20 0.61 -1.22 0.00 0.00 177.39 177.47 1rjm n GLY 216 N 1.36 -0.54 3.88 -0.72 0.00 -0.98 -4.98 105.19 103.20 1rjm n GLY 216 Ca -0.09 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.27 2.13 -0.15 1.61 0.52 -1.26 -4.65 118.95 110.88 1rjm s ARG 217 Ca 0.56 0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 55.94 1rjm s ARG 217 Cb -0.25 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1rjm s ARG 217 CO 0.70 -1.51 0.19 0.99 0.02 0.00 0.00 175.30 175.69 1rjm s THR 218 N -3.45 5.39 0.13 0.02 2.01 -1.26 -4.32 115.64 114.16 1rjm s THR 218 Ca 0.61 0.33 0.08 0.00 0.31 0.00 0.00 61.69 63.02 1rjm s THR 218 Cb -0.12 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1rjm s THR 218 CO 0.51 0.50 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.44 1rjm s TYR 219 N -0.21 1.73 0.69 4.92 1.51 0.74 -4.94 117.35 121.79 1rjm s TYR 219 Ca 0.14 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1rjm s TYR 219 Cb -0.12 -0.90 0.09 0.00 -0.11 0.00 0.00 41.96 40.91 1rjm s TYR 219 CO 0.03 0.25 0.97 0.95 -1.11 0.00 0.00 175.55 176.64 1rjm s THR 220 N -1.71 2.32 0.19 -0.71 -4.23 -1.26 -0.58 115.64 109.65 1rjm s THR 220 Ca 0.11 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1rjm s THR 220 Cb -0.07 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 71.01 1rjm s THR 220 CO 0.05 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.93 1rjm h ALA 221 N -0.49 0.84 -0.52 3.99 0.00 -1.81 -1.76 119.26 119.51 1rjm h ALA 221 Ca -0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1rjm h ALA 221 Cb 1.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1rjm h ALA 221 CO 0.50 0.35 0.19 1.49 0.00 0.00 0.00 179.25 181.78 1rjm h GLU 222 N 0.89 0.79 -0.31 0.00 4.57 -1.92 0.14 114.58 118.74 1rjm h GLU 222 Ca 0.23 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1rjm h GLU 222 Cb 0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1rjm h GLU 222 CO -0.04 0.71 0.10 1.96 -1.18 0.00 0.00 179.01 180.56 1rjm h GLN 223 N 0.71 0.48 -0.18 1.92 4.20 -1.89 -0.84 115.11 119.51 1rjm h GLN 223 Ca 0.17 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1rjm h GLN 223 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1rjm h GLN 223 CO -0.01 0.53 -0.17 1.98 -0.67 0.00 0.00 178.83 180.48 1rjm h MET 224 N 0.35 0.30 -0.47 1.46 4.05 -1.23 -1.72 114.93 117.67 1rjm h MET 224 Ca 0.10 -0.08 -0.12 0.00 -0.28 0.00 0.00 59.70 59.32 1rjm h MET 224 Cb 0.24 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1rjm h MET 224 CO -0.00 0.47 -0.18 1.25 0.23 0.00 0.00 176.91 178.68 1rjm h HIS 225 N 0.28 1.08 -0.71 1.39 -0.00 -0.55 -1.77 115.15 114.87 1rjm h HIS 225 Ca 0.05 -0.25 -0.03 0.00 -0.00 0.00 0.00 60.37 60.13 1rjm h HIS 225 Cb 0.48 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 1rjm h HIS 225 CO 0.01 1.06 0.31 1.96 -0.00 0.00 0.00 177.93 181.27 1rjm h GLN 226 N 0.79 1.03 0.00 5.26 1.08 -0.60 -2.20 115.11 120.48 1rjm h GLN 226 Ca 0.11 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1rjm h GLN 226 Cb 0.75 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1rjm h GLN 226 CO 0.06 0.82 0.00 0.52 -0.95 0.00 0.00 178.83 179.28 1rjm h MET 227 N 1.02 0.00 0.00 1.46 2.86 -1.13 -3.48 114.93 115.66 1rjm h MET 227 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1rjm h MET 227 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1rjm h MET 227 CO -0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.35 1rjm n GLY 228 N 0.83 0.83 0.02 8.32 0.00 -0.74 -4.14 105.19 110.31 1rjm n GLY 228 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.68 3.61 -4.05 4.61 0.00 -0.78 -4.61 120.51 117.60 1rjm n ALA 229 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1rjm n ALA 229 Cb 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.13 1.99 0.17 0.00 1.01 -1.15 -4.67 120.40 114.62 1rjm s VAL 230 Ca 0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1rjm s VAL 230 Cb 0.15 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1rjm s VAL 230 CO 0.79 0.53 1.70 0.78 0.00 0.00 0.00 175.10 178.90 1rjm h ASN 231 N 7.88 0.83 -4.92 3.32 4.21 -1.00 -3.38 115.58 122.51 1rjm h ASN 231 Ca -0.43 -0.20 -0.03 0.00 1.21 0.00 0.00 56.30 56.85 1rjm h ASN 231 Cb 1.15 -0.22 -0.17 0.00 -1.12 0.00 0.00 38.32 37.96 1rjm h ASN 231 CO 0.61 0.81 0.23 0.00 -1.29 0.00 0.00 177.43 177.79 1rjm s ALA 232 N -5.45 -1.74 -0.08 -0.83 0.00 -1.21 -5.06 121.76 107.40 1rjm s ALA 232 Ca -0.13 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1rjm s ALA 232 Cb 0.13 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1rjm s ALA 232 CO 0.80 -0.49 0.11 0.08 0.00 0.00 0.00 175.76 176.26 1rjm s VAL 233 N -1.99 5.12 0.06 0.00 1.01 -1.26 -1.85 120.40 121.48 1rjm s VAL 233 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1rjm s VAL 233 Cb -0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1rjm s VAL 233 CO 0.02 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.61 1rjm s ALA 234 N -1.06 0.56 0.33 5.51 0.00 -0.34 -4.92 121.76 121.84 1rjm s ALA 234 Ca 0.17 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1rjm s ALA 234 Cb -0.12 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 1rjm s ALA 234 CO 0.07 -0.25 1.50 -1.21 0.00 0.00 0.00 175.76 175.87 1rjm s GLU 235 N -3.15 4.16 0.22 0.00 0.41 -1.26 -0.81 118.70 118.26 1rjm s GLU 235 Ca 0.02 2.50 -0.13 0.00 -0.41 0.00 0.00 54.97 56.95 1rjm s GLU 235 Cb 0.02 -3.02 0.25 0.00 -1.78 0.00 0.00 34.13 29.60 1rjm s GLU 235 CO -0.06 -0.52 1.62 1.25 -0.49 0.00 0.00 175.26 177.06 1rjm h HIS 236 N 3.97 -0.36 0.00 1.61 -0.00 -1.91 0.25 115.15 118.70 1rjm h HIS 236 Ca -0.49 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1rjm h HIS 236 Cb 1.23 0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.90 1rjm h HIS 236 CO 0.56 -0.29 0.00 0.00 -0.00 0.00 0.00 177.93 178.21 1rjm h ALA 237 N 1.65 1.00 -0.03 5.26 0.00 -1.89 -2.75 119.26 122.49 1rjm h ALA 237 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1rjm h ALA 237 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rjm h ALA 237 CO -0.68 0.00 0.00 0.39 0.00 0.00 0.00 179.25 178.96 1rjm n GLU 238 N -2.39 0.34 -0.28 0.00 1.02 0.78 -4.46 120.64 115.67 1rjm n GLU 238 Ca -0.00 -1.06 0.05 0.00 -0.02 0.00 0.00 57.16 56.12 1rjm n GLU 238 Cb 0.12 -1.16 0.15 0.00 -0.02 0.00 0.00 31.44 30.52 1rjm n GLU 238 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rjm h LEU 239 N 1.65 -0.54 -0.25 -4.62 5.85 -0.95 0.39 115.31 116.84 1rjm h LEU 239 Ca 0.00 0.22 -0.21 0.00 0.84 0.00 0.00 57.88 58.74 1rjm h LEU 239 Cb 0.37 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1rjm h LEU 239 CO 0.00 -0.24 -0.88 -0.33 -0.34 0.00 0.00 178.44 176.65 1rjm h GLU 240 N 0.05 0.33 -0.59 1.25 5.08 -1.83 -0.00 114.58 118.86 1rjm h GLU 240 Ca 0.42 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1rjm h GLU 240 Cb 0.72 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1rjm h GLU 240 CO -0.76 1.02 0.24 1.15 -1.00 0.00 0.00 179.01 179.66 1rjm h THR 241 N 0.19 1.23 -0.40 1.13 2.02 -1.28 0.85 112.91 116.64 1rjm h THR 241 Ca -0.06 -0.71 -0.14 0.00 0.77 0.00 0.00 66.41 66.28 1rjm h THR 241 Cb 1.50 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1rjm h THR 241 CO 0.15 0.28 -0.29 0.58 0.37 0.00 0.00 175.52 176.60 1rjm h VAL 242 N 0.82 1.27 -0.82 3.16 2.07 -0.28 -2.34 116.25 120.13 1rjm h VAL 242 Ca 0.20 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.31 1rjm h VAL 242 Cb 0.20 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1rjm h VAL 242 CO -0.02 0.49 0.52 1.23 0.02 0.00 0.00 177.57 179.81 1rjm h GLY 243 N 0.89 1.22 1.77 2.17 0.00 -0.33 -0.99 103.07 107.79 1rjm h GLY 243 Ca 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1rjm h GLY 243 CO 0.08 0.29 -0.41 1.41 0.00 0.00 0.00 176.54 177.91 1rjm h LEU 244 N 0.97 0.27 -0.51 3.11 3.38 -0.66 -0.22 115.31 121.65 1rjm h LEU 244 Ca 0.35 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1rjm h LEU 244 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1rjm h LEU 244 CO -0.14 0.66 -0.03 -0.61 0.09 0.00 0.00 178.44 178.41 1rjm h GLN 245 N 0.22 0.92 -0.53 1.13 5.75 -0.82 0.15 115.11 121.92 1rjm h GLN 245 Ca 0.02 -0.31 -0.09 0.00 -0.15 0.00 0.00 58.65 58.13 1rjm h GLN 245 Cb 0.82 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1rjm h GLN 245 CO 0.06 0.95 -0.01 -1.49 -2.65 0.00 0.00 178.83 175.70 1rjm h TRP 246 N 0.78 1.04 -0.78 3.99 4.06 -0.90 -1.92 115.95 122.22 1rjm h TRP 246 Ca 0.14 -0.18 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1rjm h TRP 246 Cb 0.56 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 1rjm h TRP 246 CO 0.04 0.95 0.34 0.00 -3.56 0.00 0.00 178.44 176.21 1rjm h ALA 247 N 0.95 1.13 -0.46 1.49 0.00 -0.77 -1.99 119.26 119.60 1rjm h ALA 247 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rjm h ALA 247 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1rjm h ALA 247 CO 0.03 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.12 1rjm h ALA 248 N 1.25 0.60 -0.47 0.00 0.00 -0.36 0.02 119.26 120.30 1rjm h ALA 248 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1rjm h ALA 248 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rjm h ALA 248 CO -0.03 0.19 0.06 0.93 0.00 0.00 0.00 179.25 180.40 1rjm h GLU 249 N 0.61 0.73 -0.20 0.00 5.08 -1.09 -0.77 114.58 118.94 1rjm h GLU 249 Ca 0.16 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1rjm h GLU 249 Cb 0.16 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rjm h GLU 249 CO -0.02 0.70 -0.13 0.82 -1.00 0.00 0.00 179.01 179.38 1rjm h ILE 250 N 0.70 1.32 0.00 3.13 2.04 -1.06 -3.11 117.51 120.53 1rjm h ILE 250 Ca 0.15 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1rjm h ILE 250 Cb 0.34 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1rjm h ILE 250 CO 0.01 0.37 -0.07 0.78 0.00 0.00 0.00 178.15 179.24 1rjm h ASN 251 N 0.12 0.00 0.37 1.72 2.35 -0.73 -2.79 115.58 116.62 1rjm h ASN 251 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1rjm h ASN 251 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1rjm h ASN 251 CO 0.04 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 1rjm n ALA 252 N -2.15 2.05 -2.19 -0.83 0.00 -0.32 -4.81 120.51 112.26 1rjm n ALA 252 Ca -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1rjm n ALA 252 Cb 0.31 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.57 2.49 -0.10 0.00 1.02 -1.06 -5.04 119.74 114.49 1rjm s LYS 253 Ca 0.19 -1.59 -0.31 0.00 0.02 0.00 0.00 55.97 54.27 1rjm s LYS 253 Cb 0.13 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 1rjm s LYS 253 CO 0.30 -0.38 2.04 0.45 -0.92 0.00 0.00 175.35 176.85 1rjm n SER 254 N -1.73 3.54 -0.33 2.83 2.88 -1.26 -4.86 113.62 114.70 1rjm n SER 254 Ca 0.05 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1rjm n SER 254 Cb 0.62 -1.47 0.14 0.00 -0.75 0.00 0.00 64.21 62.75 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 11.67 1.03 -0.78 -1.46 0.11 -1.91 -1.12 132.00 139.54 1rjm h PRO 255 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rjm h PRO 255 Cb 1.26 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1rjm h PRO 255 CO 0.96 0.68 0.50 0.37 -0.21 0.00 0.00 178.00 180.30 1rjm h GLN 256 N 1.06 1.03 -0.42 1.05 5.75 -1.99 -1.04 115.11 120.54 1rjm h GLN 256 Ca 0.38 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.77 1rjm h GLN 256 Cb 0.11 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1rjm h GLN 256 CO -0.15 0.70 0.12 0.00 -2.65 0.00 0.00 178.83 176.84 1rjm h ALA 257 N 1.27 0.55 -0.51 3.38 0.00 -1.72 -1.64 119.26 120.59 1rjm h ALA 257 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rjm h ALA 257 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1rjm h ALA 257 CO -0.06 0.22 0.31 1.96 0.00 0.00 0.00 179.25 181.68 1rjm h GLN 258 N 0.54 0.70 -0.21 0.00 1.08 -0.86 0.21 115.11 116.57 1rjm h GLN 258 Ca 0.13 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1rjm h GLN 258 Cb 0.29 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1rjm h GLN 258 CO -0.00 0.50 0.10 0.00 -0.95 0.00 0.00 178.83 178.47 1rjm h ARG 259 N 0.69 0.20 -0.76 1.46 3.08 -0.98 -1.13 114.38 116.94 1rjm h ARG 259 Ca 0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1rjm h ARG 259 Cb -0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1rjm h ARG 259 CO -0.04 0.14 0.47 0.52 -1.07 0.00 0.00 179.97 179.99 1rjm h MET 260 N 0.21 1.02 0.04 0.04 2.86 -0.99 -2.41 114.93 115.71 1rjm h MET 260 Ca 0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rjm h MET 260 Cb 0.03 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1rjm h MET 260 CO -0.07 0.71 -0.02 -0.07 1.06 0.00 0.00 176.91 178.52 1rjm h LEU 261 N 1.04 -0.05 -0.36 1.22 3.38 -0.67 -0.10 115.31 119.77 1rjm h LEU 261 Ca 0.27 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1rjm h LEU 261 Cb -0.06 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1rjm h LEU 261 CO -0.05 0.14 -0.11 0.50 0.09 0.00 0.00 178.44 179.01 1rjm h LYS 262 N -0.24 -0.02 0.00 1.13 3.64 -1.06 0.12 116.57 120.14 1rjm h LYS 262 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1rjm h LYS 262 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1rjm h LYS 262 CO 0.01 -0.02 -0.22 0.74 -2.27 0.00 0.00 179.45 177.69 1rjm h PHE 263 N -0.03 0.00 -0.32 1.91 0.04 -1.37 -0.17 116.94 117.00 1rjm h PHE 263 Ca 0.17 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1rjm h PHE 263 Cb 0.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1rjm h PHE 263 CO -0.34 0.22 -0.43 0.00 -0.60 0.00 0.00 178.31 177.16 1rjm h ALA 264 N 1.78 0.48 -0.23 2.45 0.00 0.72 -0.53 119.26 123.93 1rjm h ALA 264 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1rjm h ALA 264 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rjm h ALA 264 CO 0.03 0.61 -0.34 0.74 0.00 0.00 0.00 179.25 180.29 1rjm h PHE 265 N 0.64 0.58 -0.29 0.00 0.04 -0.16 -3.13 116.94 114.62 1rjm h PHE 265 Ca 0.04 -0.15 -0.18 0.00 2.80 0.00 0.00 57.97 60.48 1rjm h PHE 265 Cb 1.02 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 1rjm h PHE 265 CO 0.07 0.78 -0.52 -0.91 -0.60 0.00 0.00 178.31 177.13 1rjm h ASN 266 N 0.43 0.91 -1.04 2.17 4.21 -0.91 -3.23 115.58 118.12 1rjm h ASN 266 Ca 0.05 -0.47 0.28 0.00 1.21 0.00 0.00 56.30 57.36 1rjm h ASN 266 Cb 0.80 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 37.67 1rjm h ASN 266 CO 0.06 1.26 0.71 0.25 -1.29 0.00 0.00 177.43 178.42 1rjm h LEU 267 N 0.64 0.25 -1.89 1.61 5.85 -1.03 -0.15 115.31 120.59 1rjm h LEU 267 Ca 0.02 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1rjm h LEU 267 Cb 1.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1rjm h LEU 267 CO 0.11 0.06 0.35 -0.07 -0.34 0.00 0.00 178.44 178.55 1rjm h LEU 268 N 0.22 0.11 -0.01 2.25 3.38 -1.64 -3.29 115.31 116.34 1rjm h LEU 268 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1rjm h LEU 268 Cb 1.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1rjm h LEU 268 CO -0.16 0.06 0.00 0.47 0.09 0.00 0.00 178.44 178.91 1rjm n ASP 269 N -4.42 0.01 -0.99 -0.43 8.00 -0.22 -4.77 116.55 113.72 1rjm n ASP 269 Ca 0.09 -0.31 0.08 0.00 0.71 0.00 0.00 54.79 55.35 1rjm n ASP 269 Cb 0.49 0.61 0.23 0.00 -0.02 0.00 0.00 41.12 42.43 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 -0.61 2.87 0.00 -2.24 8.00 -0.31 -5.02 116.55 119.24 1rjm n ASP 270 Ca 0.00 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1rjm n ASP 270 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 1.28 2.55 0.35 0.44 0.00 -1.25 -1.61 105.19 106.95 1rjm n GLY 271 Ca 0.18 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 0.68 -0.33 0.99 3.38 -1.96 -0.04 115.31 118.04 1rjm h LEU 272 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1rjm h LEU 272 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rjm h LEU 272 CO 0.00 0.46 0.12 0.58 0.09 0.00 0.00 178.44 179.68 1rjm h VAL 273 N 0.78 1.20 -0.96 1.22 2.07 -1.78 0.26 116.25 119.05 1rjm h VAL 273 Ca 0.29 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1rjm h VAL 273 Cb 0.16 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1rjm h VAL 273 CO -0.09 0.22 0.63 1.23 0.02 0.00 0.00 177.57 179.58 1rjm h GLY 274 N 0.38 1.36 0.95 2.17 0.00 -0.30 -1.82 103.07 105.81 1rjm h GLY 274 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1rjm h GLY 274 CO -0.01 0.48 0.07 -1.61 0.00 0.00 0.00 176.54 175.48 1rjm h GLN 275 N 1.29 0.70 -0.56 4.80 4.15 -0.66 -1.76 115.11 123.06 1rjm h GLN 275 Ca 0.36 -0.19 0.06 0.00 0.77 0.00 0.00 58.65 59.65 1rjm h GLN 275 Cb -0.13 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.43 1rjm h GLN 275 CO -0.08 0.73 0.27 0.37 -1.93 0.00 0.00 178.83 178.19 1rjm h GLN 276 N 0.56 0.49 -0.33 1.69 4.15 -0.41 0.33 115.11 121.59 1rjm h GLN 276 Ca 0.13 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1rjm h GLN 276 Cb 0.37 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1rjm h GLN 276 CO 0.01 0.33 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.94 1rjm h LEU 277 N 0.51 0.76 0.09 -2.39 3.38 -1.23 0.16 115.31 116.60 1rjm h LEU 277 Ca 0.26 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rjm h LEU 277 Cb 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1rjm h LEU 277 CO -0.20 1.03 -0.04 0.15 0.09 0.00 0.00 178.44 179.47 1rjm h PHE 278 N 0.49 -0.12 -0.35 1.13 3.57 -1.05 -2.64 116.94 117.98 1rjm h PHE 278 Ca 0.06 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1rjm h PHE 278 Cb 0.78 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1rjm h PHE 278 CO 0.06 0.30 0.23 0.00 -2.23 0.00 0.00 178.31 176.68 1rjm h ALA 279 N 0.26 1.78 -0.38 2.41 0.00 -0.42 -0.98 119.26 121.94 1rjm h ALA 279 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1rjm h ALA 279 Cb 0.47 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1rjm h ALA 279 CO 0.02 0.19 0.01 0.78 0.00 0.00 0.00 179.25 180.25 1rjm h GLY 280 N 0.45 0.39 1.04 0.00 0.00 -0.48 0.24 103.07 104.71 1rjm h GLY 280 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1rjm h GLY 280 CO -0.03 -0.08 0.19 0.83 0.00 0.00 0.00 176.54 177.45 1rjm h GLU 281 N 0.12 1.06 -0.45 4.80 4.39 -0.85 -2.27 114.58 121.38 1rjm h GLU 281 Ca 0.19 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1rjm h GLU 281 Cb 0.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1rjm h GLU 281 CO -0.30 0.93 0.30 0.00 -1.16 0.00 0.00 179.01 178.78 1rjm h ALA 282 N 1.08 0.57 -0.48 3.43 0.00 -0.39 -1.01 119.26 122.47 1rjm h ALA 282 Ca 0.22 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1rjm h ALA 282 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1rjm h ALA 282 CO -0.00 0.02 0.25 1.79 0.00 0.00 0.00 179.25 181.31 1rjm h THR 283 N 0.61 0.98 -0.40 0.00 1.35 -0.36 -1.51 112.91 113.58 1rjm h THR 283 Ca 0.16 -0.17 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1rjm h THR 283 Cb -0.07 0.44 -0.08 0.00 -1.73 0.00 0.00 68.15 66.71 1rjm h THR 283 CO -0.04 0.09 -0.13 -0.09 -0.25 0.00 0.00 175.52 175.11 1rjm h ARG 284 N 0.50 -0.04 0.00 4.72 2.43 -0.79 -3.52 114.38 117.68 1rjm h ARG 284 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1rjm h ARG 284 Cb 0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1rjm h ARG 284 CO -0.14 -0.02 0.00 1.28 -1.51 0.00 0.00 179.97 179.58