#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sme n SER 2 N 0.00 0.33 -4.57 4.04 7.64 -1.26 -4.66 113.62 115.14 1sme n SER 2 Ca 0.00 0.56 -0.40 0.00 1.01 0.00 0.00 58.87 60.04 1sme n SER 2 Cb 0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 1sme n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sme s ASN 3 N -3.42 5.72 -0.21 6.43 2.20 -1.25 -4.71 114.94 119.68 1sme s ASN 3 Ca -0.01 0.40 -0.24 0.00 -0.94 0.00 0.00 52.86 52.06 1sme s ASN 3 Cb 0.04 -2.54 -0.01 0.00 -2.00 0.00 0.00 41.25 36.74 1sme s ASN 3 CO 0.12 -2.02 0.80 1.51 -2.94 0.00 0.00 177.10 174.57 1sme s ASP 4 N 6.23 6.85 0.88 3.54 -4.77 -1.01 -4.72 116.67 123.68 1sme s ASP 4 Ca 0.61 1.05 -0.13 0.00 -3.30 0.00 0.00 52.55 50.78 1sme s ASP 4 Cb -0.13 -2.43 0.15 0.00 -1.09 0.00 0.00 42.92 39.42 1sme s ASP 4 CO 0.23 -0.45 1.24 0.20 0.70 0.00 0.00 175.17 177.10 1sme s ASN 5 N 1.27 3.74 -0.11 2.11 0.01 -1.26 -1.57 114.94 119.13 1sme s ASN 5 Ca 0.35 0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 52.87 1sme s ASN 5 Cb -0.16 -0.66 0.06 0.00 0.41 0.00 0.00 41.25 40.90 1sme s ASN 5 CO 0.09 -2.35 0.24 -0.63 -1.51 0.00 0.00 177.10 172.94 1sme s ILE 6 N -3.71 -0.27 0.05 0.60 1.09 -0.16 -4.35 121.20 114.46 1sme s ILE 6 Ca 0.69 0.25 -0.31 0.00 -1.10 0.00 0.00 60.65 60.18 1sme s ILE 6 Cb -0.07 -0.40 -0.06 0.00 -1.06 0.00 0.00 42.46 40.88 1sme s ILE 6 CO 0.51 0.10 1.25 -0.70 -0.10 0.00 0.00 174.94 176.00 1sme s GLU 7 N 2.00 4.39 0.16 2.79 2.56 -1.26 -0.52 118.70 128.82 1sme s GLU 7 Ca -0.02 1.83 0.07 0.00 0.00 0.00 0.00 54.97 56.84 1sme s GLU 7 Cb -0.11 -3.37 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 1sme s GLU 7 CO -0.08 -0.33 -0.02 -0.51 -0.56 0.00 0.00 175.26 173.76 1sme s LEU 8 N 1.28 3.28 0.12 2.70 1.43 0.11 -4.49 118.68 123.12 1sme s LEU 8 Ca 0.60 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1sme s LEU 8 Cb -0.30 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1sme s LEU 8 CO 0.28 0.11 -0.17 0.54 0.23 0.00 0.00 176.35 177.34 1sme s VAL 9 N -1.62 1.57 -0.25 -1.59 0.11 -0.67 -2.93 120.40 115.03 1sme s VAL 9 Ca 0.26 -1.69 -0.02 0.00 -2.93 0.00 0.00 61.98 57.60 1sme s VAL 9 Cb -0.10 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1sme s VAL 9 CO 0.18 -0.26 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.01 1sme s ASP 10 N -2.29 4.33 -0.36 3.54 2.15 -1.26 -1.39 116.67 121.39 1sme s ASP 10 Ca 0.09 -0.79 -0.24 0.00 0.43 0.00 0.00 52.55 52.04 1sme s ASP 10 Cb -0.07 -1.68 0.01 0.00 -0.30 0.00 0.00 42.92 40.88 1sme s ASP 10 CO 0.04 -0.11 0.84 0.12 -0.17 0.00 0.00 175.17 175.89 1sme s PHE 11 N 1.36 3.11 -0.18 -5.34 5.36 0.11 -4.30 117.98 118.08 1sme s PHE 11 Ca 0.01 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 1sme s PHE 11 Cb -0.16 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1sme s PHE 11 CO -0.04 -0.76 0.00 1.04 -1.46 0.00 0.00 175.22 174.00 1sme n GLN 12 N 6.53 -1.22 -0.94 10.12 1.13 -1.26 0.26 117.38 132.00 1sme n GLN 12 Ca 0.05 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1sme n GLN 12 Cb 0.48 -3.90 0.00 0.00 0.11 0.00 0.00 30.24 26.93 1sme n GLN 12 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1sme n ASN 13 N 1.10 -2.52 -0.02 1.08 3.02 -1.26 -4.85 115.26 111.80 1sme n ASN 13 Ca -0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1sme n ASN 13 Cb 0.07 -1.26 -0.14 0.00 -0.61 0.00 0.00 39.78 37.83 1sme n ASN 13 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sme h ILE 14 N 0.00 0.85 -3.39 2.41 1.08 -0.55 -3.48 117.51 114.43 1sme h ILE 14 Ca 0.00 -2.68 -0.01 0.00 -0.39 0.00 0.00 64.86 61.78 1sme h ILE 14 Cb 0.21 2.44 -0.07 0.00 -3.07 0.00 0.00 36.82 36.33 1sme h ILE 14 CO 0.00 0.54 0.03 -0.32 -0.69 0.00 0.00 178.15 177.71 1sme s MET 15 N -2.60 1.68 -0.02 2.37 1.75 -1.04 -4.61 119.30 116.83 1sme s MET 15 Ca -0.06 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.23 1sme s MET 15 Cb 0.08 0.53 0.00 0.00 2.84 0.00 0.00 34.83 38.28 1sme s MET 15 CO 0.82 -0.73 -0.07 -0.59 -0.65 0.00 0.00 175.02 173.80 1sme s PHE 16 N -3.90 0.76 0.01 4.11 -0.12 -1.26 0.05 117.98 117.63 1sme s PHE 16 Ca 0.18 -0.17 0.06 0.00 -0.05 0.00 0.00 56.93 56.95 1sme s PHE 16 Cb -0.03 -0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1sme s PHE 16 CO 0.09 -0.07 -0.16 0.71 -0.05 0.00 0.00 175.22 175.73 1sme s TYR 17 N 0.14 2.62 -0.01 3.49 2.02 -0.49 -4.58 117.35 120.54 1sme s TYR 17 Ca -0.02 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1sme s TYR 17 Cb -0.07 -1.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1sme s TYR 17 CO 0.00 0.23 -0.06 0.20 -1.57 0.00 0.00 175.55 174.35 1sme s GLY 18 N -1.20 0.35 0.50 0.71 0.00 -0.89 -1.67 107.32 105.12 1sme s GLY 18 Ca 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 1sme s GLY 18 CO 0.04 -0.14 0.78 0.99 0.00 0.00 0.00 173.10 174.76 1sme s ASP 19 N -0.01 5.95 0.00 1.64 1.01 -1.26 0.19 116.67 124.20 1sme s ASP 19 Ca 0.01 0.68 0.00 0.00 0.71 0.00 0.00 52.55 53.94 1sme s ASP 19 Cb -0.04 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1sme s ASP 19 CO -0.00 -0.74 0.00 0.00 0.21 0.00 0.00 175.17 174.64 1sme n ALA 20 N -2.28 0.00 -3.64 5.23 0.00 -0.68 -4.74 120.51 114.39 1sme n ALA 20 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1sme n ALA 20 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1sme n ALA 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sme s GLU 21 N -0.37 0.61 -0.05 0.00 -1.05 -0.85 -2.27 118.70 114.71 1sme s GLU 21 Ca 0.00 0.82 0.02 0.00 -0.15 0.00 0.00 54.97 55.65 1sme s GLU 21 Cb 0.00 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 1sme s GLU 21 CO 0.00 -0.09 -0.08 0.08 0.95 0.00 0.00 175.26 176.12 1sme s VAL 22 N 0.66 3.59 0.00 1.83 1.01 -0.66 -0.72 120.40 126.11 1sme s VAL 22 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1sme s VAL 22 Cb -0.05 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1sme s VAL 22 CO -0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1sme n GLY 23 N 2.13 0.87 0.26 4.51 0.00 -0.93 -3.24 105.19 108.79 1sme n GLY 23 Ca -0.17 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 1sme n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1sme h ASP 24 N 0.00 -0.51 -1.59 1.61 1.82 -1.83 -2.85 116.42 113.07 1sme h ASP 24 Ca 0.00 -0.03 0.47 0.00 -0.39 0.00 0.00 57.03 57.08 1sme h ASP 24 Cb 0.00 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 40.06 1sme h ASP 24 CO 0.00 -0.30 1.12 -3.20 -1.61 0.00 0.00 179.24 175.26 1sme n ASN 25 N -5.31 0.04 0.00 2.28 2.85 -1.24 -4.67 115.26 109.20 1sme n ASN 25 Ca -0.11 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.27 1sme n ASN 25 Cb 0.28 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.84 1sme n ASN 25 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1sme n GLN 26 N -3.79 0.00 0.00 1.20 0.00 -1.07 -4.97 117.38 108.75 1sme n GLN 26 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 1sme n GLN 26 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.89 1sme n GLN 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sme n GLN 27 N -1.85 0.00 -2.46 3.69 6.02 -1.20 -4.46 117.38 117.11 1sme n GLN 27 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1sme n GLN 27 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1sme n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sme s PRO 28 N 0.00 4.58 0.08 -1.09 0.04 -1.26 -1.66 135.00 135.69 1sme s PRO 28 Ca 0.00 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1sme s PRO 28 Cb 0.00 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1sme s PRO 28 CO 0.00 0.16 0.34 -0.06 0.04 0.00 0.00 177.00 177.47 1sme s PHE 29 N -1.21 -0.12 -0.27 0.56 0.08 -0.96 -4.91 117.98 111.15 1sme s PHE 29 Ca 0.46 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.35 1sme s PHE 29 Cb -0.31 0.14 -0.00 0.00 -0.57 0.00 0.00 43.02 42.27 1sme s PHE 29 CO 0.40 -0.58 0.06 0.99 -0.10 0.00 0.00 175.22 175.99 1sme s THR 30 N -3.12 3.97 0.41 0.64 2.01 -1.26 -1.69 115.64 116.59 1sme s THR 30 Ca -0.01 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1sme s THR 30 Cb 0.01 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1sme s THR 30 CO -0.07 0.20 0.37 -0.36 -0.69 0.00 0.00 174.62 174.08 1sme s PHE 31 N 1.53 2.74 -0.42 4.92 0.08 0.13 0.19 117.98 127.14 1sme s PHE 31 Ca 0.04 -0.46 -0.06 0.00 0.12 0.00 0.00 56.93 56.57 1sme s PHE 31 Cb -0.16 -2.13 0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1sme s PHE 31 CO 0.02 -0.09 0.24 0.42 -0.10 0.00 0.00 175.22 175.70 1sme s ILE 32 N -2.45 3.69 -1.23 0.64 1.01 -0.64 -2.09 121.20 120.13 1sme s ILE 32 Ca 0.47 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.10 1sme s ILE 32 Cb -0.04 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1sme s ILE 32 CO 0.28 -0.64 1.87 0.18 0.00 0.00 0.00 174.94 176.63 1sme n LEU 33 N 4.74 3.74 -4.65 2.97 4.77 -1.26 -1.11 117.00 126.20 1sme n LEU 33 Ca -0.06 -3.44 -0.43 0.00 -0.03 0.00 0.00 56.01 52.05 1sme n LEU 33 Cb 0.42 -1.74 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 1sme n LEU 33 CO 0.36 -1.13 1.07 -0.62 -1.33 0.00 0.00 177.39 175.75 1sme s ASP 34 N 5.67 6.91 0.00 -1.43 2.15 0.18 -4.50 116.67 125.65 1sme s ASP 34 Ca 0.63 1.54 0.23 0.00 0.43 0.00 0.00 52.55 55.38 1sme s ASP 34 Cb 0.01 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.76 1sme s ASP 34 CO 0.12 -0.82 1.52 0.35 -0.17 0.00 0.00 175.17 176.17 1sme n THR 35 N 5.55 0.22 -1.84 1.71 -2.24 -1.26 0.17 114.28 116.58 1sme n THR 35 Ca 0.14 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 1sme n THR 35 Cb 0.45 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 1sme n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sme n GLY 36 N 1.24 6.22 0.00 3.38 0.00 -1.26 -4.15 105.19 110.62 1sme n GLY 36 Ca 0.17 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.67 1sme n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sme n SER 37 N -0.78 0.00 -1.82 1.61 3.41 -1.26 -4.98 113.62 109.81 1sme n SER 37 Ca 0.47 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.90 1sme n SER 37 Cb 0.90 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.90 1sme n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sme n ALA 38 N -0.04 4.69 -2.49 7.33 0.00 -1.26 -0.67 120.51 128.06 1sme n ALA 38 Ca 0.00 -3.66 -0.19 0.00 0.00 0.00 0.00 53.44 49.59 1sme n ALA 38 Cb 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 1sme n ALA 38 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1sme s ASN 39 N -3.54 2.20 -0.10 0.00 -0.87 -1.26 -4.46 114.94 106.92 1sme s ASN 39 Ca 0.48 -0.81 0.03 0.00 -1.57 0.00 0.00 52.86 50.99 1sme s ASN 39 Cb 0.40 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 41.53 1sme s ASN 39 CO 0.02 -0.10 -0.21 -0.22 -2.57 0.00 0.00 177.10 174.01 1sme s LEU 40 N -2.45 2.24 0.01 0.60 2.96 -1.26 -0.77 118.68 120.01 1sme s LEU 40 Ca 0.10 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1sme s LEU 40 Cb -0.06 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1sme s LEU 40 CO 0.04 0.18 -0.08 -1.66 -1.32 0.00 0.00 176.35 173.52 1sme s TRP 41 N 0.22 0.68 -0.00 5.38 1.48 -0.95 -0.71 118.94 125.04 1sme s TRP 41 Ca -0.14 -0.23 0.03 0.00 -1.06 0.00 0.00 56.10 54.70 1sme s TRP 41 Cb -0.17 -0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 31.72 1sme s TRP 41 CO 0.07 -0.02 -0.08 0.54 -4.06 0.00 0.00 176.95 173.39 1sme s VAL 42 N -0.53 0.66 -0.05 -0.66 0.11 -0.26 -3.12 120.40 116.56 1sme s VAL 42 Ca -0.01 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1sme s VAL 42 Cb -0.05 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1sme s VAL 42 CO 0.00 0.16 1.44 -2.16 -3.33 0.00 0.00 175.10 171.21 1sme s PRO 43 N -0.28 4.24 0.96 1.54 0.04 -1.26 -0.81 135.00 139.44 1sme s PRO 43 Ca 0.03 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 1sme s PRO 43 Cb -0.04 -3.72 0.17 0.00 0.04 0.00 0.00 34.50 30.95 1sme s PRO 43 CO -0.00 -0.67 1.15 0.45 0.04 0.00 0.00 177.00 177.96 1sme s SER 44 N 2.29 3.04 0.26 6.66 0.15 0.92 0.17 113.70 127.19 1sme s SER 44 Ca 0.65 0.85 0.19 0.00 0.70 0.00 0.00 55.95 58.34 1sme s SER 44 Cb -0.30 -1.33 0.08 0.00 -1.71 0.00 0.00 66.02 62.76 1sme s SER 44 CO 0.25 -2.83 1.30 -0.37 1.20 0.00 0.00 173.24 172.78 1sme h VAL 45 N -1.69 0.44 0.00 4.45 -1.51 -1.63 -3.18 116.25 113.12 1sme h VAL 45 Ca -0.49 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 1sme h VAL 45 Cb 1.32 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.57 1sme h VAL 45 CO 0.55 0.25 0.00 0.29 -1.23 0.00 0.00 177.57 177.43 1sme n LYS 46 N -3.04 0.21 -2.37 5.19 5.02 -1.26 -4.74 118.16 117.17 1sme n LYS 46 Ca -0.00 0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1sme n LYS 46 Cb 0.68 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1sme n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sme h THR 48 N 6.04 1.43 -0.51 0.00 1.35 -1.85 -3.46 112.91 115.92 1sme h THR 48 Ca -0.27 -2.99 -0.23 0.00 -0.55 0.00 0.00 66.41 62.37 1sme h THR 48 Cb 1.11 2.69 0.05 0.00 -1.73 0.00 0.00 68.15 70.26 1sme h THR 48 CO 1.03 0.81 -0.28 0.41 -0.25 0.00 0.00 175.52 177.24 1sme n THR 49 N -3.32 0.40 -0.01 6.82 -1.04 -1.26 -4.78 114.28 111.10 1sme n THR 49 Ca 0.01 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1sme n THR 49 Cb 0.86 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.42 1sme n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sme h ALA 50 N 0.20 0.68 0.00 2.41 0.00 -2.00 -2.24 119.26 118.31 1sme h ALA 50 Ca -0.12 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1sme h ALA 50 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sme h ALA 50 CO 0.18 0.69 -0.44 0.78 0.00 0.00 0.00 179.25 180.46 1sme h GLY 51 N 1.02 0.00 1.85 0.00 0.00 -1.98 -2.87 103.07 101.10 1sme h GLY 51 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1sme h GLY 51 CO 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.36 1sme h LEU 53 N 0.16 0.00 -0.21 0.00 3.38 -1.23 -0.59 115.31 116.82 1sme h LEU 53 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sme h LEU 53 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sme h LEU 53 CO 0.04 0.05 -0.29 0.41 0.09 0.00 0.00 178.44 178.74 1sme n THR 54 N -3.34 0.00 -4.55 0.22 -1.04 -0.58 -4.97 114.28 100.02 1sme n THR 54 Ca -0.02 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 61.68 1sme n THR 54 Cb 0.19 0.16 -0.11 0.00 -1.82 0.00 0.00 70.33 68.75 1sme n THR 54 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1sme s LYS 55 N -2.72 1.83 -0.01 -2.82 -0.14 -0.23 -5.08 119.74 110.57 1sme s LYS 55 Ca 0.19 -1.96 -0.30 0.00 -1.36 0.00 0.00 55.97 52.54 1sme s LYS 55 Cb 0.19 -1.68 -0.04 0.00 -1.68 0.00 0.00 37.83 34.62 1sme s LYS 55 CO 0.58 0.11 1.10 -1.01 -0.76 0.00 0.00 175.35 175.37 1sme s HIS 56 N -2.64 3.46 0.14 3.18 3.76 -1.26 -4.99 115.29 116.94 1sme s HIS 56 Ca 0.33 1.45 0.07 0.00 -0.15 0.00 0.00 55.06 56.75 1sme s HIS 56 Cb 0.04 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1sme s HIS 56 CO 0.17 -0.73 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.81 1sme s LEU 57 N 1.46 3.33 -0.10 0.89 1.43 -1.26 -4.49 118.68 119.95 1sme s LEU 57 Ca 0.54 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 1sme s LEU 57 Cb -0.24 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1sme s LEU 57 CO 0.25 0.12 0.30 -0.47 0.23 0.00 0.00 176.35 176.78 1sme s TYR 58 N -1.56 3.57 -0.26 0.29 5.04 0.45 -4.87 117.35 120.02 1sme s TYR 58 Ca 0.26 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 55.60 1sme s TYR 58 Cb -0.10 -2.24 0.04 0.00 0.35 0.00 0.00 41.96 40.01 1sme s TYR 58 CO 0.18 0.47 -0.06 0.34 -1.34 0.00 0.00 175.55 175.14 1sme s ASP 59 N -0.34 4.47 0.07 4.32 -1.08 -1.26 -1.70 116.67 121.16 1sme s ASP 59 Ca 0.18 -1.12 -0.34 0.00 -0.52 0.00 0.00 52.55 50.76 1sme s ASP 59 Cb -0.14 -1.64 -0.17 0.00 -1.46 0.00 0.00 42.92 39.51 1sme s ASP 59 CO 0.07 -0.18 1.52 0.28 0.52 0.00 0.00 175.17 177.38 1sme h SER 60 N 7.95 -1.24 0.00 -0.34 0.02 -1.98 -2.65 113.55 115.31 1sme h SER 60 Ca -0.26 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1sme h SER 60 Cb 1.08 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1sme h SER 60 CO 0.54 -0.67 0.29 -1.54 -1.14 0.00 0.00 176.83 174.31 1sme n SER 61 N -5.35 0.01 -2.36 3.07 3.41 -1.26 -1.80 113.62 109.34 1sme n SER 61 Ca -0.13 0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.42 1sme n SER 61 Cb 0.45 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1sme n SER 61 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sme n LYS 62 N -1.25 3.27 -3.15 4.33 5.02 -1.00 -4.84 118.16 120.54 1sme n LYS 62 Ca -0.00 -4.04 0.04 0.00 -2.02 0.00 0.00 58.31 52.30 1sme n LYS 62 Cb 0.29 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.02 1sme n LYS 62 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sme s SER 63 N -2.90 -1.26 0.28 4.39 0.15 -0.74 -3.63 113.70 109.98 1sme s SER 63 Ca 0.53 0.70 0.23 0.00 0.70 0.00 0.00 55.95 58.10 1sme s SER 63 Cb 0.43 2.02 1.05 0.00 -1.71 0.00 0.00 66.02 67.81 1sme s SER 63 CO -0.11 -0.23 1.69 -2.11 1.20 0.00 0.00 173.24 173.67 1sme n ARG 64 N 5.43 0.18 0.00 5.44 0.00 -1.26 -1.40 116.66 125.05 1sme n ARG 64 Ca -0.01 0.50 0.14 0.00 -0.00 0.00 0.00 57.85 58.49 1sme n ARG 64 Cb 0.52 -1.91 0.62 0.00 -0.00 0.00 0.00 32.46 31.69 1sme n ARG 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1sme n THR 65 N -2.25 0.00 -1.85 8.89 -2.24 -1.26 -4.93 114.28 110.64 1sme n THR 65 Ca 0.01 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 1sme n THR 65 Cb 0.16 0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1sme n THR 65 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1sme s TYR 66 N -2.01 2.30 -0.05 4.78 5.04 -0.49 -4.45 117.35 122.48 1sme s TYR 66 Ca 0.40 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 56.45 1sme s TYR 66 Cb 0.21 -3.69 0.03 0.00 0.35 0.00 0.00 41.96 38.87 1sme s TYR 66 CO 0.35 -2.67 0.04 -2.00 -1.34 0.00 0.00 175.55 169.92 1sme s GLU 67 N -3.08 0.14 0.33 4.97 2.12 0.20 -5.00 118.70 118.39 1sme s GLU 67 Ca 0.75 0.26 -0.27 0.00 0.36 0.00 0.00 54.97 56.07 1sme s GLU 67 Cb -0.37 -0.60 -0.09 0.00 0.26 0.00 0.00 34.13 33.32 1sme s GLU 67 CO 0.42 -0.29 1.06 -1.59 -0.54 0.00 0.00 175.26 174.33 1sme s LYS 68 N 1.89 4.44 0.00 4.30 -2.85 -1.26 -1.55 119.74 124.71 1sme s LYS 68 Ca 0.02 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 56.64 1sme s LYS 68 Cb -0.12 -2.90 0.00 0.00 -2.06 0.00 0.00 37.83 32.75 1sme s LYS 68 CO -0.03 0.07 0.00 -3.47 0.10 0.00 0.00 175.35 172.02 1sme n ASP 69 N 0.63 0.14 -0.25 0.03 -0.08 -1.23 -4.85 116.55 110.94 1sme n ASP 69 Ca 0.02 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.28 1sme n ASP 69 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.93 1sme n ASP 69 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sme n GLY 70 N 1.58 0.11 3.63 0.27 0.00 0.49 -4.82 105.19 106.45 1sme n GLY 70 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sme n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sme s THR 71 N -0.53 4.16 0.38 2.61 2.01 -1.23 -4.54 115.64 118.51 1sme s THR 71 Ca 0.00 1.31 -0.24 0.00 0.31 0.00 0.00 61.69 63.06 1sme s THR 71 Cb 0.00 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.19 1sme s THR 71 CO 0.00 -0.51 0.80 0.29 -0.69 0.00 0.00 174.62 174.51 1sme n LYS 72 N 7.33 0.96 -4.20 4.92 4.01 -1.26 0.31 118.16 130.23 1sme n LYS 72 Ca 0.14 0.34 -0.12 0.00 -0.51 0.00 0.00 58.31 58.17 1sme n LYS 72 Cb 0.47 -1.73 -0.10 0.00 -0.51 0.00 0.00 35.03 33.16 1sme n LYS 72 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1sme s VAL 73 N -1.29 0.11 -0.24 -0.18 1.01 0.40 -4.75 120.40 115.46 1sme s VAL 73 Ca 0.62 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 1sme s VAL 73 Cb -0.63 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 33.49 1sme s VAL 73 CO 0.58 -0.13 0.47 -0.70 0.00 0.00 0.00 175.10 175.31 1sme s GLU 74 N -4.11 0.40 0.18 2.72 2.12 -1.26 -1.55 118.70 117.20 1sme s GLU 74 Ca 0.35 0.95 -0.09 0.00 0.36 0.00 0.00 54.97 56.54 1sme s GLU 74 Cb 0.07 0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.61 1sme s GLU 74 CO 0.09 -0.40 0.48 -1.64 -0.54 0.00 0.00 175.26 173.25 1sme s MET 75 N 2.67 3.76 -0.23 4.30 -1.94 0.27 -4.97 119.30 123.15 1sme s MET 75 Ca 0.05 0.17 -0.04 0.00 -1.71 0.00 0.00 55.69 54.16 1sme s MET 75 Cb -0.13 -2.76 0.08 0.00 2.01 0.00 0.00 34.83 34.03 1sme s MET 75 CO -0.16 0.39 0.10 -0.80 -0.01 0.00 0.00 175.02 174.55 1sme s ASN 76 N -2.28 2.97 0.34 3.03 0.01 -1.26 -2.61 114.94 115.14 1sme s ASN 76 Ca 0.44 -0.96 0.07 0.00 -0.71 0.00 0.00 52.86 51.70 1sme s ASN 76 Cb -0.12 -0.36 -0.02 0.00 0.41 0.00 0.00 41.25 41.16 1sme s ASN 76 CO 0.22 -0.38 0.36 -0.31 -1.51 0.00 0.00 177.10 175.47 1sme s TYR 77 N 2.06 2.96 -1.10 2.20 2.02 -0.81 -4.96 117.35 119.71 1sme s TYR 77 Ca 0.05 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 1sme s TYR 77 Cb -0.16 -1.88 0.33 0.00 -0.40 0.00 0.00 41.96 39.85 1sme s TYR 77 CO -0.21 0.10 1.21 0.28 -1.57 0.00 0.00 175.55 175.36 1sme n VAL 78 N -1.47 1.34 -0.27 0.71 0.31 -1.26 -2.17 118.33 115.52 1sme n VAL 78 Ca -0.01 0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.67 1sme n VAL 78 Cb 0.59 -1.21 0.01 0.00 -0.91 0.00 0.00 33.84 32.33 1sme n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1sme n SER 79 N -1.45 1.73 0.00 4.52 7.64 -1.26 -5.09 113.62 119.70 1sme n SER 79 Ca 0.02 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1sme n SER 79 Cb 0.08 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1sme n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sme n GLY 80 N -0.51 3.64 3.73 0.23 0.00 -0.92 -4.80 105.19 106.55 1sme n GLY 80 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1sme n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sme s THR 81 N -1.22 5.39 -0.14 2.61 2.01 -1.12 -1.93 115.64 121.23 1sme s THR 81 Ca 0.00 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1sme s THR 81 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1sme s THR 81 CO 0.00 0.42 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 1sme s VAL 82 N 0.42 1.03 0.01 3.82 1.01 -1.07 -2.83 120.40 122.78 1sme s VAL 82 Ca 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1sme s VAL 82 Cb -0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1sme s VAL 82 CO -0.01 0.23 -0.05 -0.44 0.00 0.00 0.00 175.10 174.83 1sme s SER 83 N 1.68 4.74 0.00 3.32 0.01 -1.21 -0.57 113.70 121.68 1sme s SER 83 Ca 0.03 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1sme s SER 83 Cb -0.14 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1sme s SER 83 CO -0.08 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1sme n GLY 84 N 1.42 3.50 3.30 3.44 0.00 -0.60 -3.31 105.19 112.94 1sme n GLY 84 Ca -0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1sme n GLY 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sme s PHE 85 N 0.25 -0.15 0.25 1.61 -0.71 -0.88 -0.45 117.98 117.90 1sme s PHE 85 Ca 0.00 -0.14 -0.21 0.00 -1.04 0.00 0.00 56.93 55.54 1sme s PHE 85 Cb 0.00 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.92 1sme s PHE 85 CO 0.00 -0.65 0.78 -0.06 -1.34 0.00 0.00 175.22 173.95 1sme s PHE 86 N -3.58 3.64 0.23 3.49 0.08 0.15 -1.03 117.98 120.96 1sme s PHE 86 Ca 0.02 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.39 1sme s PHE 86 Cb 0.02 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1sme s PHE 86 CO -0.10 0.29 0.52 -1.12 -0.10 0.00 0.00 175.22 174.70 1sme s SER 87 N -1.68 -0.16 -0.02 1.36 0.01 -0.89 0.18 113.70 112.50 1sme s SER 87 Ca 0.45 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1sme s SER 87 Cb -0.17 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1sme s SER 87 CO 0.21 -1.13 -0.08 -0.75 0.41 0.00 0.00 173.24 171.90 1sme s LYS 88 N -3.96 0.78 0.14 12.44 2.20 -0.60 -0.78 119.74 129.97 1sme s LYS 88 Ca 0.16 -0.27 -0.21 0.00 -0.36 0.00 0.00 55.97 55.29 1sme s LYS 88 Cb -0.01 -0.75 0.06 0.00 -1.51 0.00 0.00 37.83 35.62 1sme s LYS 88 CO 0.05 0.12 0.55 0.34 -0.36 0.00 0.00 175.35 176.05 1sme s ASP 89 N 0.07 -0.48 -0.67 1.43 -1.08 -0.31 -0.63 116.67 115.00 1sme s ASP 89 Ca -0.01 -0.06 -0.26 0.00 -0.52 0.00 0.00 52.55 51.70 1sme s ASP 89 Cb -0.06 0.56 -0.03 0.00 -1.46 0.00 0.00 42.92 41.93 1sme s ASP 89 CO 0.00 -0.92 1.91 -0.22 0.52 0.00 0.00 175.17 176.46 1sme s LEU 90 N -2.71 3.26 0.50 -1.34 2.96 -1.26 -0.54 118.68 119.56 1sme s LEU 90 Ca 0.01 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 1sme s LEU 90 Cb -0.00 -2.53 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 1sme s LEU 90 CO -0.12 -2.50 1.04 -0.69 -1.32 0.00 0.00 176.35 172.76 1sme s VAL 91 N 9.53 3.79 -0.02 1.68 1.01 0.89 -2.18 120.40 135.10 1sme s VAL 91 Ca 0.70 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1sme s VAL 91 Cb -0.12 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1sme s VAL 91 CO 0.16 -0.28 -0.01 -0.89 0.00 0.00 0.00 175.10 174.09 1sme s THR 92 N -2.05 0.14 -0.03 3.92 2.01 0.10 -1.66 115.64 118.08 1sme s THR 92 Ca 0.67 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1sme s THR 92 Cb -0.16 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.18 1sme s THR 92 CO 0.22 0.09 0.00 -0.69 -0.69 0.00 0.00 174.62 173.56 1sme s VAL 93 N 0.55 0.13 0.00 3.82 1.01 -0.37 -2.01 120.40 123.53 1sme s VAL 93 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1sme s VAL 93 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1sme s VAL 93 CO -0.01 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1sme n GLY 94 N 4.08 0.83 0.00 4.51 0.00 -1.26 -1.70 105.19 111.66 1sme n GLY 94 Ca -0.27 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1sme n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sme n ASN 95 N 4.64 0.00 -4.90 1.61 0.23 -1.26 -5.01 115.26 110.57 1sme n ASN 95 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 1sme n ASN 95 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1sme n ASN 95 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1sme s LEU 96 N 0.00 3.94 0.14 -4.53 1.43 -0.69 -5.10 118.68 113.87 1sme s LEU 96 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 1sme s LEU 96 Cb 0.00 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1sme s LEU 96 CO 0.00 -0.31 0.25 -0.55 0.23 0.00 0.00 176.35 175.97 1sme s SER 97 N -3.38 0.07 -0.16 2.29 0.15 -1.26 -1.24 113.70 110.17 1sme s SER 97 Ca 0.46 -0.83 -0.32 0.00 0.70 0.00 0.00 55.95 55.96 1sme s SER 97 Cb -0.10 0.41 0.14 0.00 -1.71 0.00 0.00 66.02 64.75 1sme s SER 97 CO 0.33 -0.85 1.12 -1.48 1.20 0.00 0.00 173.24 173.57 1sme s LEU 98 N -2.95 -0.22 0.89 3.45 2.34 -0.66 -5.02 118.68 116.52 1sme s LEU 98 Ca 0.14 0.10 -0.12 0.00 0.06 0.00 0.00 54.13 54.31 1sme s LEU 98 Cb 0.04 1.57 0.12 0.00 -0.56 0.00 0.00 46.19 47.36 1sme s LEU 98 CO -0.03 -0.30 1.10 -2.84 -1.06 0.00 0.00 176.35 173.22 1sme s PRO 99 N -2.05 1.32 -0.13 1.48 0.02 -1.26 -0.08 135.00 134.30 1sme s PRO 99 Ca 0.06 0.70 -0.30 0.00 0.02 0.00 0.00 61.00 61.48 1sme s PRO 99 Cb -0.01 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.80 1sme s PRO 99 CO -0.05 -2.17 0.92 -0.47 -0.33 0.00 0.00 177.00 174.91 1sme s TYR 100 N -3.01 -0.43 0.08 6.54 5.04 0.30 -4.61 117.35 121.26 1sme s TYR 100 Ca 0.63 0.72 -0.12 0.00 -2.44 0.00 0.00 57.07 55.85 1sme s TYR 100 Cb -0.17 0.45 -0.06 0.00 0.35 0.00 0.00 41.96 42.53 1sme s TYR 100 CO 0.56 -0.41 0.44 0.21 -1.34 0.00 0.00 175.55 175.01 1sme s LYS 101 N -1.23 3.86 0.00 4.97 2.20 -1.26 -1.16 119.74 127.11 1sme s LYS 101 Ca -0.03 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1sme s LYS 101 Cb -0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1sme s LYS 101 CO 0.03 0.57 0.00 1.97 -0.36 0.00 0.00 175.35 177.56 1sme n PHE 102 N 1.11 -0.75 -4.18 4.03 -1.74 0.04 -4.77 117.46 111.20 1sme n PHE 102 Ca -0.09 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.50 1sme n PHE 102 Cb 0.52 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.36 1sme n PHE 102 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1sme s ILE 103 N -2.95 1.70 -0.32 1.97 1.01 0.11 -2.10 121.20 120.61 1sme s ILE 103 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1sme s ILE 103 Cb 0.00 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1sme s ILE 103 CO 0.00 0.48 0.70 -0.70 0.00 0.00 0.00 174.94 175.42 1sme s GLU 104 N 1.30 3.86 -0.17 2.79 2.12 -0.19 -1.10 118.70 127.30 1sme s GLU 104 Ca 0.02 0.34 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 1sme s GLU 104 Cb -0.13 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1sme s GLU 104 CO -0.09 -0.67 0.58 0.08 -0.54 0.00 0.00 175.26 174.63 1sme s VAL 105 N 2.79 5.07 0.00 3.70 1.01 0.01 -2.06 120.40 130.92 1sme s VAL 105 Ca 0.28 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1sme s VAL 105 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1sme s VAL 105 CO 0.13 0.17 0.73 2.30 0.00 0.00 0.00 175.10 178.44 1sme n ILE 106 N 4.42 0.47 -3.71 2.22 -5.35 -1.23 -0.06 119.36 116.12 1sme n ILE 106 Ca -0.03 -0.73 -0.13 0.00 -0.27 0.00 0.00 62.75 61.59 1sme n ILE 106 Cb 0.50 0.77 -0.14 0.00 -1.74 0.00 0.00 39.64 39.04 1sme n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sme s ASP 107 N -0.47 0.03 0.00 7.28 2.15 -1.21 -3.39 116.67 121.07 1sme s ASP 107 Ca 0.00 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.45 1sme s ASP 107 Cb 0.00 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1sme s ASP 107 CO 0.00 -0.19 0.47 0.35 -0.17 0.00 0.00 175.17 175.64 1sme n THR 108 N 4.61 0.18 -0.32 1.71 -2.24 -1.26 -3.30 114.28 113.66 1sme n THR 108 Ca -0.19 -0.43 0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1sme n THR 108 Cb 0.52 1.14 0.27 0.00 -2.10 0.00 0.00 70.33 70.16 1sme n THR 108 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sme n ASN 109 N -0.09 -0.11 0.06 3.42 3.02 -1.26 -0.01 115.26 120.29 1sme n ASN 109 Ca 0.00 1.58 0.08 0.00 -0.03 0.00 0.00 54.58 56.22 1sme n ASN 109 Cb 0.15 -0.58 0.37 0.00 -0.61 0.00 0.00 39.78 39.11 1sme n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sme n GLY 110 N -1.47 -1.05 0.00 7.41 0.00 -1.22 -2.97 105.19 105.89 1sme n GLY 110 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1sme n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sme n PHE 111 N -1.83 0.00 -2.38 1.61 7.35 0.99 -2.78 117.46 120.43 1sme n PHE 111 Ca 0.02 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.44 1sme n PHE 111 Cb 0.17 -0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.02 1sme n PHE 111 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1sme s GLU 112 N -1.93 3.03 0.37 -4.13 -1.05 -0.97 -0.80 118.70 113.21 1sme s GLU 112 Ca 0.04 0.08 0.16 0.00 -0.15 0.00 0.00 54.97 55.09 1sme s GLU 112 Cb 0.07 -2.26 0.71 0.00 -0.44 0.00 0.00 34.13 32.21 1sme s GLU 112 CO 0.40 -0.65 1.78 -1.35 0.95 0.00 0.00 175.26 176.40 1sme h PRO 113 N -0.16 0.00 -0.79 -4.83 0.11 -1.93 -3.44 132.00 120.96 1sme h PRO 113 Ca -0.46 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.75 1sme h PRO 113 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 1sme h PRO 113 CO 0.61 0.40 -0.38 2.41 -0.21 0.00 0.00 178.00 180.82 1sme n THR 114 N -3.82 -0.47 0.20 -1.15 -1.04 -1.20 0.06 114.28 106.85 1sme n THR 114 Ca -0.01 1.88 -0.16 0.00 -2.04 0.00 0.00 64.05 63.72 1sme n THR 114 Cb 0.46 -2.40 -0.09 0.00 -1.82 0.00 0.00 70.33 66.48 1sme n THR 114 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1sme h TYR 115 N 0.00 -1.33 -0.92 -1.42 3.20 -1.27 -1.80 116.97 113.43 1sme h TYR 115 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1sme h TYR 115 Cb 0.40 0.54 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 1sme h TYR 115 CO -0.75 -0.59 0.59 1.15 -1.64 0.00 0.00 178.16 176.92 1sme h THR 116 N -0.82 1.24 0.00 1.81 2.02 -1.25 -1.35 112.91 114.56 1sme h THR 116 Ca -0.04 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1sme h THR 116 Cb 0.75 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1sme h THR 116 CO -0.14 0.24 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1sme n ALA 117 N -2.40 1.47 -2.49 6.16 0.00 0.11 -4.78 120.51 118.58 1sme n ALA 117 Ca 0.11 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1sme n ALA 117 Cb 0.04 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 1sme n ALA 117 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1sme s SER 118 N -4.17 5.98 0.00 0.00 0.01 -0.51 -5.02 113.70 109.98 1sme s SER 118 Ca 0.02 0.04 0.26 0.00 1.31 0.00 0.00 55.95 57.58 1sme s SER 118 Cb 0.08 -1.45 0.62 0.00 0.21 0.00 0.00 66.02 65.48 1sme s SER 118 CO 0.33 -0.48 1.50 0.41 0.41 0.00 0.00 173.24 175.41 1sme n THR 119 N -1.77 0.00 -2.57 1.44 -1.04 -1.26 -4.95 114.28 104.12 1sme n THR 119 Ca -0.01 -0.35 -0.25 0.00 -2.04 0.00 0.00 64.05 61.40 1sme n THR 119 Cb 0.58 0.96 0.03 0.00 -1.82 0.00 0.00 70.33 70.08 1sme n THR 119 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1sme s PHE 120 N -2.05 3.14 -0.10 -1.42 -0.12 -1.26 -4.89 117.98 111.29 1sme s PHE 120 Ca 0.32 0.41 0.02 0.00 -0.05 0.00 0.00 56.93 57.62 1sme s PHE 120 Cb 0.20 -2.68 -0.07 0.00 -0.63 0.00 0.00 43.02 39.84 1sme s PHE 120 CO 0.34 -0.77 -0.08 -0.25 -0.05 0.00 0.00 175.22 174.41 1sme n ASP 121 N -2.45 3.13 0.00 1.98 8.00 0.13 -4.95 116.55 122.40 1sme n ASP 121 Ca 0.05 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sme n ASP 121 Cb 0.58 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1sme n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sme n GLY 122 N 2.92 3.99 2.94 0.44 0.00 -1.18 -4.35 105.19 109.96 1sme n GLY 122 Ca -0.18 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1sme n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sme s ILE 123 N -1.73 0.41 -0.37 -0.61 1.01 -1.18 -1.62 121.20 117.10 1sme s ILE 123 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1sme s ILE 123 Cb 0.00 -0.36 0.09 0.00 0.01 0.00 0.00 42.46 42.20 1sme s ILE 123 CO 0.00 0.13 0.13 -0.22 0.00 0.00 0.00 174.94 174.98 1sme s LEU 124 N 0.03 4.81 0.43 2.97 0.20 -0.27 -2.23 118.68 124.62 1sme s LEU 124 Ca 0.00 -1.80 -0.24 0.00 0.69 0.00 0.00 54.13 52.78 1sme s LEU 124 Cb -0.04 -1.79 -0.08 0.00 -0.43 0.00 0.00 46.19 43.86 1sme s LEU 124 CO -0.00 -0.45 1.16 -0.83 -0.29 0.00 0.00 176.35 175.94 1sme s GLY 125 N 1.59 2.82 -0.03 7.98 0.00 0.05 -0.65 107.32 119.08 1sme s GLY 125 Ca 0.04 0.94 0.04 0.00 0.00 0.00 0.00 44.72 45.75 1sme s GLY 125 CO -0.03 1.43 1.03 1.04 0.00 0.00 0.00 173.10 176.57 1sme n LEU 126 N -0.18 0.53 0.00 0.66 4.77 0.45 -4.62 117.00 118.62 1sme n LEU 126 Ca 0.06 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1sme n LEU 126 Cb 0.47 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1sme n LEU 126 CO 0.49 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1sme n GLY 127 N -0.31 -0.90 3.89 -0.72 0.00 -0.11 -4.78 105.19 102.25 1sme n GLY 127 Ca 0.04 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1sme n GLY 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sme s TRP 128 N -0.80 3.52 0.30 1.61 0.52 -0.61 -4.77 118.94 118.71 1sme s TRP 128 Ca 0.00 0.92 0.05 0.00 0.02 0.00 0.00 56.10 57.09 1sme s TRP 128 Cb 0.00 -2.36 0.74 0.00 -1.15 0.00 0.00 33.47 30.70 1sme s TRP 128 CO 0.00 -0.17 1.72 -0.22 0.02 0.00 0.00 176.95 178.30 1sme h LYS 129 N 0.80 0.49 0.00 4.98 3.64 -1.83 0.65 116.57 125.30 1sme h LYS 129 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1sme h LYS 129 Cb 1.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1sme h LYS 129 CO 0.63 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.88 1sme n ASP 130 N -4.96 0.19 0.04 4.20 8.00 -1.26 0.50 116.55 123.26 1sme n ASP 130 Ca 0.23 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.43 1sme n ASP 130 Cb 0.64 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1sme n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sme n LEU 131 N -1.75 0.55 -4.67 0.64 7.94 0.22 -4.91 117.00 115.02 1sme n LEU 131 Ca -0.00 0.09 -0.43 0.00 -1.11 0.00 0.00 56.01 54.56 1sme n LEU 131 Cb 0.01 -0.06 -0.02 0.00 0.53 0.00 0.00 43.42 43.88 1sme n LEU 131 CO 0.03 -0.04 0.92 -0.94 -1.11 0.00 0.00 177.39 176.25 1sme s SER 132 N -4.49 7.11 0.23 1.96 1.04 0.18 -4.23 113.70 115.49 1sme s SER 132 Ca -0.00 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.64 1sme s SER 132 Cb 0.13 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 1sme s SER 132 CO 0.82 -0.62 1.14 -0.63 0.98 0.00 0.00 173.24 174.93 1sme s ILE 133 N 2.87 3.59 0.00 -1.02 1.01 -1.26 -1.59 121.20 124.79 1sme s ILE 133 Ca 0.48 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1sme s ILE 133 Cb -0.18 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1sme s ILE 133 CO 0.12 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1sme n GLY 134 N 1.70 0.67 3.22 6.18 0.00 -1.26 -3.96 105.19 111.74 1sme n GLY 134 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1sme n GLY 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sme n SER 135 N 0.00 -3.26 -4.66 1.61 3.41 -0.62 -4.85 113.62 105.26 1sme n SER 135 Ca 0.00 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1sme n SER 135 Cb 0.00 -2.74 -0.03 0.00 -0.26 0.00 0.00 64.21 61.18 1sme n SER 135 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sme s VAL 136 N -2.80 3.00 -0.19 -3.33 1.01 -1.25 -4.89 120.40 111.95 1sme s VAL 136 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1sme s VAL 136 Cb -0.18 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1sme s VAL 136 CO 0.40 -0.00 1.19 -1.81 0.00 0.00 0.00 175.10 174.88 1sme s ASP 137 N 4.58 6.98 -0.01 3.32 1.01 -1.26 -4.66 116.67 126.63 1sme s ASP 137 Ca 0.89 1.56 -0.16 0.00 0.71 0.00 0.00 52.55 55.55 1sme s ASP 137 Cb -0.43 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 40.88 1sme s ASP 137 CO 0.42 -0.75 0.45 -0.81 0.21 0.00 0.00 175.17 174.69 1sme n PRO 138 N 6.56 0.00 -0.04 8.23 -0.04 -1.26 -4.55 135.00 143.90 1sme n PRO 138 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1sme n PRO 138 Cb 0.45 -0.61 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 1sme n PRO 138 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1sme h ILE 139 N 1.27 0.53 -0.79 0.52 2.04 -1.92 0.21 117.51 119.38 1sme h ILE 139 Ca -0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1sme h ILE 139 Cb 0.58 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1sme h ILE 139 CO 0.27 0.00 0.52 0.58 0.00 0.00 0.00 178.15 179.52 1sme h VAL 140 N -0.17 1.07 0.26 1.67 2.07 -1.95 0.29 116.25 119.48 1sme h VAL 140 Ca 0.12 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1sme h VAL 140 Cb 0.36 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1sme h VAL 140 CO -0.32 0.16 -0.12 0.58 0.02 0.00 0.00 177.57 177.89 1sme h VAL 141 N 0.89 0.71 -0.05 2.57 2.07 -1.54 -2.70 116.25 118.20 1sme h VAL 141 Ca 0.33 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1sme h VAL 141 Cb 0.17 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1sme h VAL 141 CO -0.11 0.15 -0.49 -0.08 0.02 0.00 0.00 177.57 177.06 1sme h GLU 142 N -0.83 -0.58 -0.88 1.57 4.57 -0.40 -0.85 114.58 117.19 1sme h GLU 142 Ca -0.04 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 58.42 1sme h GLU 142 Cb 0.51 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.10 1sme h GLU 142 CO 0.06 -0.39 0.26 -0.07 -1.18 0.00 0.00 179.01 177.69 1sme h LEU 143 N -0.60 0.05 0.65 1.64 3.38 -1.01 0.29 115.31 119.70 1sme h LEU 143 Ca 0.04 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1sme h LEU 143 Cb 0.69 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1sme h LEU 143 CO -0.37 -0.14 -0.31 0.50 0.09 0.00 0.00 178.44 178.21 1sme h LYS 144 N 0.23 -0.84 0.00 1.13 1.63 -1.01 -1.68 116.57 116.03 1sme h LYS 144 Ca 0.55 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.41 1sme h LYS 144 Cb 1.11 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1sme h LYS 144 CO -0.64 -0.52 0.10 -0.91 -3.45 0.00 0.00 179.45 174.03 1sme h ASN 145 N -1.11 0.00 -0.50 4.20 2.35 0.11 0.67 115.58 121.31 1sme h ASN 145 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1sme h ASN 145 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1sme h ASN 145 CO 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 1sme n GLN 146 N -2.45 4.07 -1.85 0.81 6.02 0.90 -4.93 117.38 119.95 1sme n GLN 146 Ca -0.02 -2.60 -0.10 0.00 -0.01 0.00 0.00 57.00 54.28 1sme n GLN 146 Cb 0.14 -2.07 -0.02 0.00 1.02 0.00 0.00 30.24 29.30 1sme n GLN 146 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sme n ASN 147 N 0.61 -2.89 -0.03 1.08 3.02 0.24 -4.79 115.26 112.50 1sme n ASN 147 Ca 0.23 0.25 -0.17 0.00 -0.03 0.00 0.00 54.58 54.86 1sme n ASN 147 Cb 0.99 -2.65 -0.14 0.00 -0.61 0.00 0.00 39.78 37.37 1sme n ASN 147 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sme n LYS 148 N -2.17 0.70 -4.17 3.52 5.02 -0.66 -4.97 118.16 115.44 1sme n LYS 148 Ca -0.11 0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 1sme n LYS 148 Cb 0.45 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1sme n LYS 148 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sme s ILE 149 N -2.56 3.92 0.00 -0.18 1.10 -1.18 -4.66 121.20 117.65 1sme s ILE 149 Ca -0.19 -1.27 -0.00 0.00 -0.51 0.00 0.00 60.65 58.68 1sme s ILE 149 Cb 0.07 -2.95 -0.00 0.00 0.15 0.00 0.00 42.46 39.73 1sme s ILE 149 CO 0.76 -0.06 0.98 -0.33 -2.11 0.00 0.00 174.94 174.18 1sme h GLU 150 N 2.81 -0.01 -6.55 3.50 5.08 -1.85 -3.43 114.58 114.13 1sme h GLU 150 Ca -0.47 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.26 1sme h GLU 150 Cb 1.19 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 1sme h GLU 150 CO 0.59 -0.01 -0.84 -0.80 -1.00 0.00 0.00 179.01 176.95 1sme s ASN 151 N -2.04 3.03 -1.08 1.42 0.01 -0.88 -5.06 114.94 110.34 1sme s ASN 151 Ca -0.00 -0.75 -0.18 0.00 -0.71 0.00 0.00 52.86 51.22 1sme s ASN 151 Cb 0.00 -0.19 0.12 0.00 0.41 0.00 0.00 41.25 41.59 1sme s ASN 151 CO 0.00 0.12 1.36 0.00 -1.51 0.00 0.00 177.10 177.07 1sme s ALA 152 N -1.25 3.41 -0.24 0.60 0.00 -1.26 -4.15 121.76 118.87 1sme s ALA 152 Ca 0.12 -2.86 -0.26 0.00 0.00 0.00 0.00 51.96 48.96 1sme s ALA 152 Cb -0.09 -4.25 0.11 0.00 0.00 0.00 0.00 23.12 18.89 1sme s ALA 152 CO 0.06 -3.09 0.93 -0.48 0.00 0.00 0.00 175.76 173.18 1sme s LEU 153 N 3.03 -0.52 -0.07 0.00 0.05 -1.26 -2.59 118.68 117.33 1sme s LEU 153 Ca 0.41 0.90 0.04 0.00 0.05 0.00 0.00 54.13 55.54 1sme s LEU 153 Cb -0.02 2.06 -0.00 0.00 -2.05 0.00 0.00 46.19 46.17 1sme s LEU 153 CO -0.04 -0.24 -0.22 0.72 -0.55 0.00 0.00 176.35 176.02 1sme s PHE 154 N -0.08 2.24 0.68 3.48 -0.12 -0.18 -1.34 117.98 122.66 1sme s PHE 154 Ca 0.01 -0.79 -0.06 0.00 -0.05 0.00 0.00 56.93 56.03 1sme s PHE 154 Cb -0.04 -1.50 0.05 0.00 -0.63 0.00 0.00 43.02 40.90 1sme s PHE 154 CO -0.02 -0.30 0.98 0.99 -0.05 0.00 0.00 175.22 176.82 1sme s THR 155 N 0.18 2.40 -0.20 -4.49 2.01 0.51 -1.22 115.64 114.83 1sme s THR 155 Ca -0.11 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1sme s THR 155 Cb -0.15 -3.03 0.10 0.00 0.01 0.00 0.00 72.50 69.43 1sme s THR 155 CO 0.06 -0.03 0.32 -0.36 -0.69 0.00 0.00 174.62 173.92 1sme s PHE 156 N -3.18 -0.60 -0.66 4.92 0.08 -0.84 -3.81 117.98 113.88 1sme s PHE 156 Ca 0.59 0.80 0.05 0.00 0.12 0.00 0.00 56.93 58.49 1sme s PHE 156 Cb -0.11 -0.05 0.16 0.00 -0.57 0.00 0.00 43.02 42.45 1sme s PHE 156 CO 0.44 -0.58 0.45 -0.47 -0.10 0.00 0.00 175.22 174.96 1sme s TYR 157 N 2.47 3.43 0.55 0.36 5.04 0.49 -3.28 117.35 126.42 1sme s TYR 157 Ca 0.07 -3.28 -0.21 0.00 -2.44 0.00 0.00 57.07 51.21 1sme s TYR 157 Cb -0.14 -2.67 -0.05 0.00 0.35 0.00 0.00 41.96 39.45 1sme s TYR 157 CO -0.13 -0.59 1.34 -0.51 -1.34 0.00 0.00 175.55 174.32 1sme s LEU 158 N -1.21 3.83 -0.19 6.97 1.43 -1.26 -0.50 118.68 127.74 1sme s LEU 158 Ca 0.24 2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 1sme s LEU 158 Cb -0.08 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1sme s LEU 158 CO -0.14 -1.59 1.05 -2.16 0.23 0.00 0.00 176.35 173.74 1sme s PRO 159 N -2.96 4.30 -0.52 1.29 0.04 -1.26 -4.61 135.00 131.28 1sme s PRO 159 Ca 0.72 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1sme s PRO 159 Cb -0.39 -3.62 0.07 0.00 0.04 0.00 0.00 34.50 30.59 1sme s PRO 159 CO 0.46 -0.55 0.64 0.08 0.04 0.00 0.00 177.00 177.66 1sme s VAL 160 N 2.90 4.87 0.00 -0.36 1.01 -0.37 -4.61 120.40 123.85 1sme s VAL 160 Ca 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1sme s VAL 160 Cb -0.17 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1sme s VAL 160 CO 0.10 -0.87 0.00 1.57 0.00 0.00 0.00 175.10 175.90 1sme n HIS 161 N 6.18 0.00 0.00 5.22 -0.00 -1.26 -1.31 115.22 124.06 1sme n HIS 161 Ca -0.07 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.92 1sme n HIS 161 Cb 0.45 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.18 1sme n HIS 161 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1sme n ASP 162 N 0.00 1.90 0.03 0.26 8.00 -1.26 -4.54 116.55 120.94 1sme n ASP 162 Ca 0.00 0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.64 1sme n ASP 162 Cb 0.00 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.32 1sme n ASP 162 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1sme h LYS 163 N 0.06 -0.44 -2.24 -1.24 1.57 -1.63 -3.47 116.57 109.18 1sme h LYS 163 Ca -0.39 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1sme h LYS 163 Cb 2.03 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 34.30 1sme h LYS 163 CO 0.09 -0.29 0.51 -3.38 -0.57 0.00 0.00 179.45 175.81 1sme s HIS 164 N -5.98 -0.30 0.53 -1.35 -3.43 -0.82 -5.02 115.29 98.92 1sme s HIS 164 Ca -0.15 0.15 -0.09 0.00 -0.80 0.00 0.00 55.06 54.17 1sme s HIS 164 Cb 0.10 0.55 0.13 0.00 -1.43 0.00 0.00 32.58 31.92 1sme s HIS 164 CO 0.65 -0.56 0.64 -2.37 -2.00 0.00 0.00 174.74 171.10 1sme n THR 165 N -0.27 0.00 -4.14 -5.38 5.66 -1.26 -1.24 114.28 107.65 1sme n THR 165 Ca -0.08 -0.42 -0.13 0.00 -3.05 0.00 0.00 64.05 60.37 1sme n THR 165 Cb 0.61 -1.56 -0.07 0.00 -1.55 0.00 0.00 70.33 67.76 1sme n THR 165 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1sme s GLY 166 N -4.19 1.40 0.09 1.09 0.00 -1.15 -4.24 107.32 100.32 1sme s GLY 166 Ca 0.38 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 1sme s GLY 166 CO 0.27 -1.14 0.04 -1.36 0.00 0.00 0.00 173.10 170.91 1sme s PHE 167 N -3.73 0.59 -0.33 1.90 0.08 0.34 0.09 117.98 116.92 1sme s PHE 167 Ca 0.34 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1sme s PHE 167 Cb 0.03 -0.37 0.10 0.00 -0.57 0.00 0.00 43.02 42.21 1sme s PHE 167 CO 0.16 -0.46 0.10 -1.17 -0.10 0.00 0.00 175.22 173.75 1sme s LEU 168 N -2.96 2.74 -0.35 -0.37 2.96 0.32 -0.38 118.68 120.65 1sme s LEU 168 Ca 0.13 -1.83 -0.21 0.00 -0.22 0.00 0.00 54.13 52.00 1sme s LEU 168 Cb 0.07 -1.02 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1sme s LEU 168 CO -0.06 -0.39 0.66 -0.89 -1.32 0.00 0.00 176.35 174.35 1sme s THR 169 N 1.36 4.86 -0.23 3.68 2.01 -1.25 -0.99 115.64 125.08 1sme s THR 169 Ca 0.11 0.66 -0.11 0.00 0.31 0.00 0.00 61.69 62.65 1sme s THR 169 Cb -0.18 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1sme s THR 169 CO -0.20 -0.33 0.19 -0.63 -0.69 0.00 0.00 174.62 172.97 1sme s ILE 170 N 2.77 5.34 0.00 1.82 1.01 -0.61 -0.36 121.20 131.17 1sme s ILE 170 Ca 0.26 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1sme s ILE 170 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1sme s ILE 170 CO 0.15 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1sme n GLY 171 N 4.24 1.79 3.59 6.18 0.00 -0.45 -2.39 105.19 118.14 1sme n GLY 171 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1sme n GLY 171 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sme s GLY 172 N -2.17 -0.23 -0.94 -0.02 0.00 -1.23 -2.08 107.32 100.65 1sme s GLY 172 Ca 0.00 1.89 -0.20 0.00 0.00 0.00 0.00 44.72 46.40 1sme s GLY 172 CO 0.00 0.75 1.22 -0.42 0.00 0.00 0.00 173.10 174.65 1sme s ILE 173 N -1.88 4.43 -0.11 0.90 1.01 -1.26 -4.54 121.20 119.74 1sme s ILE 173 Ca 0.06 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 1sme s ILE 173 Cb -0.01 -4.86 -0.03 0.00 0.01 0.00 0.00 42.46 37.57 1sme s ILE 173 CO -0.04 -1.65 1.32 -0.70 0.00 0.00 0.00 174.94 173.87 1sme s GLU 174 N 3.55 4.25 0.08 2.79 2.12 -1.26 -4.91 118.70 125.32 1sme s GLU 174 Ca 0.36 1.77 0.18 0.00 0.36 0.00 0.00 54.97 57.64 1sme s GLU 174 Cb -0.04 -3.74 0.76 0.00 0.26 0.00 0.00 34.13 31.37 1sme s GLU 174 CO -0.08 -0.67 1.57 -1.91 -0.54 0.00 0.00 175.26 173.63 1sme n GLU 175 N 6.31 0.06 0.20 4.30 2.13 -1.26 -3.37 120.64 129.02 1sme n GLU 175 Ca 0.14 0.29 0.09 0.00 0.66 0.00 0.00 57.16 58.34 1sme n GLU 175 Cb 0.45 -1.62 0.29 0.00 0.27 0.00 0.00 31.44 30.83 1sme n GLU 175 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1sme h ARG 176 N 0.00 0.00 0.00 5.31 0.11 -2.03 -3.26 114.38 114.51 1sme h ARG 176 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sme h ARG 176 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1sme h ARG 176 CO 0.00 0.22 0.00 1.19 0.10 0.00 0.00 179.97 181.48 1sme n PHE 177 N -3.23 0.00 -3.93 4.08 3.72 -1.22 -4.91 117.46 111.97 1sme n PHE 177 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 1sme n PHE 177 Cb 0.53 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1sme n PHE 177 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1sme s TYR 178 N -2.47 0.29 0.09 1.38 1.13 -1.23 -3.76 117.35 112.78 1sme s TYR 178 Ca 0.26 -0.73 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 1sme s TYR 178 Cb 0.17 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1sme s TYR 178 CO 0.37 -1.23 -0.07 -1.83 -2.51 0.00 0.00 175.55 170.27 1sme s GLU 179 N -3.37 0.78 0.20 -3.49 -1.05 -0.27 -4.81 118.70 106.69 1sme s GLU 179 Ca 0.19 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 1sme s GLU 179 Cb -0.03 -0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.41 1sme s GLU 179 CO 0.11 0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1sme n GLY 180 N 0.28 -2.19 3.77 -3.83 0.00 -1.26 -3.42 105.19 98.54 1sme n GLY 180 Ca -0.14 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1sme n GLY 180 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sme s PRO 181 N -0.98 4.40 -0.13 1.61 0.02 -1.26 -4.89 135.00 133.77 1sme s PRO 181 Ca 0.00 1.72 -0.19 0.00 0.02 0.00 0.00 61.00 62.55 1sme s PRO 181 Cb 0.00 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 1sme s PRO 181 CO 0.00 0.02 0.52 -1.17 -0.33 0.00 0.00 177.00 176.04 1sme s LEU 182 N -1.98 4.26 -0.11 -5.54 2.96 -1.26 -4.50 118.68 112.50 1sme s LEU 182 Ca 0.51 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.24 1sme s LEU 182 Cb -0.29 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1sme s LEU 182 CO 0.37 -0.06 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.42 1sme s THR 183 N 0.86 4.03 0.04 3.68 2.01 0.21 -4.86 115.64 121.61 1sme s THR 183 Ca 0.27 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1sme s THR 183 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1sme s THR 183 CO 0.11 0.56 0.07 -0.31 -0.69 0.00 0.00 174.62 174.37 1sme s TYR 184 N -0.44 3.21 -0.05 4.92 2.02 -1.26 0.23 117.35 125.99 1sme s TYR 184 Ca 0.07 0.13 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1sme s TYR 184 Cb -0.12 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1sme s TYR 184 CO 0.02 0.53 0.05 -1.21 -1.57 0.00 0.00 175.55 173.37 1sme s GLU 185 N -2.05 0.03 0.77 -0.62 0.41 -0.01 -4.93 118.70 112.31 1sme s GLU 185 Ca 0.26 0.32 -0.14 0.00 -0.41 0.00 0.00 54.97 55.00 1sme s GLU 185 Cb -0.12 -0.63 0.06 0.00 -1.78 0.00 0.00 34.13 31.67 1sme s GLU 185 CO 0.18 -0.34 1.19 0.21 -0.49 0.00 0.00 175.26 176.01 1sme s LYS 186 N 2.14 1.92 0.92 1.61 2.47 -1.26 -1.60 119.74 125.93 1sme s LYS 186 Ca 0.05 1.67 -0.13 0.00 -1.56 0.00 0.00 55.97 56.01 1sme s LYS 186 Cb -0.12 -1.82 0.14 0.00 -1.46 0.00 0.00 37.83 34.58 1sme s LYS 186 CO -0.04 -1.99 1.14 -0.51 0.16 0.00 0.00 175.35 174.12 1sme s LEU 187 N -5.51 2.00 -0.20 5.43 1.02 -0.36 -4.50 118.68 116.56 1sme s LEU 187 Ca 0.72 0.93 -0.18 0.00 0.02 0.00 0.00 54.13 55.62 1sme s LEU 187 Cb -0.27 -3.23 -0.14 0.00 0.02 0.00 0.00 46.19 42.57 1sme s LEU 187 CO 0.49 -2.60 0.03 0.59 0.02 0.00 0.00 176.35 174.88 1sme n ASN 188 N -3.79 1.86 -3.96 2.29 4.13 0.14 -4.85 115.26 111.08 1sme n ASN 188 Ca 0.07 0.45 -0.13 0.00 1.68 0.00 0.00 54.58 56.66 1sme n ASN 188 Cb 0.59 -0.92 -0.08 0.00 -1.54 0.00 0.00 39.78 37.83 1sme n ASN 188 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1sme s HIS 189 N -2.38 1.05 -1.12 3.10 3.76 -1.26 -5.05 115.29 113.40 1sme s HIS 189 Ca -0.27 -1.27 -0.03 0.00 -0.15 0.00 0.00 55.06 53.34 1sme s HIS 189 Cb 0.06 -0.37 0.26 0.00 1.11 0.00 0.00 32.58 33.64 1sme s HIS 189 CO 0.49 -0.79 1.97 -0.25 -0.85 0.00 0.00 174.74 175.31 1sme n ASP 190 N -0.56 7.45 0.00 1.40 8.00 -1.26 -4.55 116.55 127.03 1sme n ASP 190 Ca 0.02 -3.51 0.00 0.00 0.71 0.00 0.00 54.79 52.01 1sme n ASP 190 Cb 0.64 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1sme n ASP 190 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sme n LEU 191 N 0.62 0.00 -4.98 0.64 7.94 -1.26 -4.30 117.00 115.65 1sme n LEU 191 Ca 0.50 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.20 1sme n LEU 191 Cb 0.26 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.24 1sme n LEU 191 CO 0.59 0.00 0.29 -0.31 -1.11 0.00 0.00 177.39 176.85 1sme s TYR 192 N 0.00 2.91 -1.30 1.96 1.51 -1.26 -1.57 117.35 119.59 1sme s TYR 192 Ca 0.00 -0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 55.82 1sme s TYR 192 Cb 0.00 -2.58 0.08 0.00 -0.11 0.00 0.00 41.96 39.35 1sme s TYR 192 CO 0.00 -0.67 1.74 0.91 -1.11 0.00 0.00 175.55 176.43 1sme n TRP 193 N -2.17 4.59 -4.48 2.71 7.02 -1.26 -4.75 117.44 119.10 1sme n TRP 193 Ca 0.07 -2.92 -0.34 0.00 -1.02 0.00 0.00 57.50 53.29 1sme n TRP 193 Cb 0.59 -2.56 -0.12 0.00 -2.42 0.00 0.00 31.31 26.79 1sme n TRP 193 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1sme s GLN 194 N 3.74 3.54 0.03 -0.99 -2.07 -1.26 -1.95 119.66 120.69 1sme s GLN 194 Ca 0.52 -0.54 0.05 0.00 -1.82 0.00 0.00 55.36 53.56 1sme s GLN 194 Cb 0.04 -2.84 -0.02 0.00 -1.09 0.00 0.00 33.01 29.10 1sme s GLN 194 CO 0.05 0.29 -0.15 0.96 -1.32 0.00 0.00 175.29 175.12 1sme s ILE 195 N 0.23 1.20 -0.41 3.63 -4.36 0.02 0.24 121.20 121.74 1sme s ILE 195 Ca -0.03 -0.99 -0.25 0.00 -0.26 0.00 0.00 60.65 59.12 1sme s ILE 195 Cb -0.14 -1.07 0.02 0.00 1.25 0.00 0.00 42.46 42.52 1sme s ILE 195 CO 0.03 0.07 0.87 -0.89 0.24 0.00 0.00 174.94 175.26 1sme s THR 196 N -0.78 4.60 0.43 8.37 2.01 -1.26 -0.46 115.64 128.54 1sme s THR 196 Ca 0.03 0.86 0.04 0.00 0.31 0.00 0.00 61.69 62.93 1sme s THR 196 Cb -0.08 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1sme s THR 196 CO 0.01 -0.63 0.03 -0.76 -0.69 0.00 0.00 174.62 172.58 1sme s LEU 197 N 3.44 2.48 -0.36 4.42 1.43 0.07 -4.82 118.68 125.33 1sme s LEU 197 Ca 0.35 -1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 51.87 1sme s LEU 197 Cb -0.12 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.48 1sme s LEU 197 CO 0.21 -0.66 0.16 -1.81 0.23 0.00 0.00 176.35 174.49 1sme s ASP 198 N -3.71 5.50 -0.02 2.29 1.11 -1.13 0.10 116.67 120.80 1sme s ASP 198 Ca 0.25 -1.16 -0.27 0.00 0.18 0.00 0.00 52.55 51.55 1sme s ASP 198 Cb 0.06 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 42.08 1sme s ASP 198 CO 0.12 -0.38 0.85 0.00 1.18 0.00 0.00 175.17 176.94 1sme s ALA 199 N 1.45 3.25 -0.00 5.23 0.00 -0.10 -2.58 121.76 129.01 1sme s ALA 199 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 1sme s ALA 199 Cb -0.20 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1sme s ALA 199 CO 0.04 -0.16 0.05 -1.01 0.00 0.00 0.00 175.76 174.68 1sme s HIS 200 N 0.84 0.07 0.01 0.00 3.76 0.78 -0.63 115.29 120.12 1sme s HIS 200 Ca 0.45 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1sme s HIS 200 Cb -0.20 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1sme s HIS 200 CO 0.24 -0.15 0.00 0.28 -0.85 0.00 0.00 174.74 174.25 1sme n VAL 201 N 2.14 0.08 0.00 -0.90 0.31 -1.02 -0.24 118.33 118.71 1sme n VAL 201 Ca -0.19 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1sme n VAL 201 Cb 0.57 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1sme n VAL 201 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sme n GLY 202 N 3.08 0.78 0.01 2.92 0.00 -1.26 -4.67 105.19 106.05 1sme n GLY 202 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1sme n GLY 202 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sme n ASN 203 N 0.00 0.66 -4.58 1.61 2.85 -1.26 -4.82 115.26 109.72 1sme n ASN 203 Ca 0.00 -0.58 -0.42 0.00 -0.11 0.00 0.00 54.58 53.48 1sme n ASN 203 Cb 0.00 1.20 -0.03 0.00 1.24 0.00 0.00 39.78 42.19 1sme n ASN 203 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sme s ILE 204 N -3.17 3.73 -0.12 -1.44 1.01 -1.26 -4.98 121.20 114.97 1sme s ILE 204 Ca 0.03 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1sme s ILE 204 Cb 0.15 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1sme s ILE 204 CO 0.86 -0.97 -0.20 -0.04 0.00 0.00 0.00 174.94 174.60 1sme s MET 205 N 5.57 2.74 -0.47 2.79 1.00 -1.26 -2.44 119.30 127.24 1sme s MET 205 Ca 0.59 -0.76 0.03 0.00 0.00 0.00 0.00 55.69 55.55 1sme s MET 205 Cb -0.13 -2.21 0.13 0.00 0.00 0.00 0.00 34.83 32.62 1sme s MET 205 CO 0.27 0.01 0.24 -1.17 0.00 0.00 0.00 175.02 174.37 1sme s LEU 206 N 0.78 3.28 0.91 -0.03 2.96 0.20 -5.02 118.68 121.75 1sme s LEU 206 Ca -0.09 -2.75 -0.12 0.00 -0.22 0.00 0.00 54.13 50.95 1sme s LEU 206 Cb -0.16 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.42 1sme s LEU 206 CO 0.00 -0.26 1.09 -1.61 -1.32 0.00 0.00 176.35 174.26 1sme s GLU 207 N 0.14 1.14 -1.41 1.98 2.02 -1.26 -0.92 118.70 120.39 1sme s GLU 207 Ca 0.17 0.85 -0.08 0.00 0.02 0.00 0.00 54.97 55.93 1sme s GLU 207 Cb -0.25 -1.79 0.08 0.00 0.10 0.00 0.00 34.13 32.27 1sme s GLU 207 CO 0.00 -2.33 0.20 1.63 0.02 0.00 0.00 175.26 174.78 1sme n LYS 208 N -3.95 -0.87 -2.72 1.61 5.02 -1.16 -4.84 118.16 111.24 1sme n LYS 208 Ca 0.07 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 56.04 1sme n LYS 208 Cb 0.55 -3.38 -0.04 0.00 -0.02 0.00 0.00 35.03 32.15 1sme n LYS 208 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sme s ALA 209 N -3.67 3.21 -0.01 7.82 0.00 0.28 -4.74 121.76 124.65 1sme s ALA 209 Ca 0.28 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1sme s ALA 209 Cb -0.16 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1sme s ALA 209 CO 0.85 -0.11 1.56 1.21 0.00 0.00 0.00 175.76 179.28 1sme s ASN 210 N 0.39 6.72 -0.21 0.00 2.47 -1.15 -0.75 114.94 122.40 1sme s ASN 210 Ca 0.49 2.24 0.02 0.00 0.42 0.00 0.00 52.86 56.02 1sme s ASN 210 Cb -0.22 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1sme s ASN 210 CO 0.29 -0.85 -0.14 0.00 -3.72 0.00 0.00 177.10 172.68 1sme s ILE 212 N 1.27 4.94 -0.80 0.00 1.01 0.93 -0.80 121.20 127.75 1sme s ILE 212 Ca -0.02 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 1sme s ILE 212 Cb -0.16 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1sme s ILE 212 CO -0.09 -0.36 1.43 -0.69 0.00 0.00 0.00 174.94 175.23 1sme s VAL 213 N 2.56 3.70 -0.38 2.92 1.01 -0.82 -0.13 120.40 129.26 1sme s VAL 213 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1sme s VAL 213 Cb -0.15 -4.77 0.09 0.00 0.00 0.00 0.00 36.38 31.55 1sme s VAL 213 CO 0.15 -1.70 0.14 -0.62 0.00 0.00 0.00 175.10 173.07 1sme s ASP 214 N 4.84 5.16 0.52 3.32 -1.08 0.17 -4.70 116.67 124.91 1sme s ASP 214 Ca 0.44 -1.78 0.31 0.00 -0.52 0.00 0.00 52.55 51.00 1sme s ASP 214 Cb -0.07 -1.80 1.15 0.00 -1.46 0.00 0.00 42.92 40.75 1sme s ASP 214 CO 0.09 -0.45 1.91 0.77 0.52 0.00 0.00 175.17 178.00 1sme h SER 215 N 8.04 0.00 -0.31 -0.34 4.64 -1.88 -2.79 113.55 120.91 1sme h SER 215 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1sme h SER 215 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1sme h SER 215 CO 0.65 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1sme n GLY 216 N 0.23 1.50 3.06 -0.77 0.00 -1.26 -4.52 105.19 103.42 1sme n GLY 216 Ca 0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1sme n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sme s THR 217 N -1.70 1.73 -0.02 2.61 2.01 -1.05 -5.02 115.64 114.19 1sme s THR 217 Ca 0.25 -0.73 0.23 0.00 0.31 0.00 0.00 61.69 61.74 1sme s THR 217 Cb 0.16 -1.59 0.23 0.00 0.01 0.00 0.00 72.50 71.31 1sme s THR 217 CO 0.11 0.48 1.72 0.77 -0.69 0.00 0.00 174.62 177.02 1sme h SER 218 N 7.96 0.00 -5.99 3.53 4.64 -1.86 -0.18 113.55 121.64 1sme h SER 218 Ca -0.40 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.45 1sme h SER 218 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1sme h SER 218 CO 0.56 0.23 -0.15 0.00 -0.87 0.00 0.00 176.83 176.61 1sme n ALA 219 N -2.19 0.95 -3.61 5.18 0.00 -1.26 -4.41 120.51 115.17 1sme n ALA 219 Ca 0.01 -1.93 -0.40 0.00 0.00 0.00 0.00 53.44 51.13 1sme n ALA 219 Cb 0.50 0.66 -0.09 0.00 0.00 0.00 0.00 19.45 20.52 1sme n ALA 219 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sme s ILE 220 N -2.33 4.00 0.12 0.00 -1.09 -0.87 -2.43 121.20 118.60 1sme s ILE 220 Ca 0.42 -1.98 -0.30 0.00 -2.23 0.00 0.00 60.65 56.56 1sme s ILE 220 Cb -0.03 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1sme s ILE 220 CO 0.27 -0.78 1.18 -0.89 -1.23 0.00 0.00 174.94 173.49 1sme s THR 221 N 1.14 3.87 0.05 2.92 2.01 -0.44 -2.44 115.64 122.75 1sme s THR 221 Ca 0.08 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.56 1sme s THR 221 Cb -0.24 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1sme s THR 221 CO -0.02 0.17 -0.09 0.54 -0.69 0.00 0.00 174.62 174.53 1sme s VAL 222 N 0.49 0.68 0.24 3.82 0.11 0.33 -1.50 120.40 124.58 1sme s VAL 222 Ca 0.55 -1.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.17 1sme s VAL 222 Cb -0.30 -0.72 -0.11 0.00 -1.53 0.00 0.00 36.38 33.71 1sme s VAL 222 CO 0.32 -0.33 1.63 -2.16 -3.33 0.00 0.00 175.10 171.23 1sme s PRO 223 N -1.60 4.14 0.41 1.54 0.04 -1.25 -1.48 135.00 136.80 1sme s PRO 223 Ca -0.08 2.55 0.26 0.00 0.04 0.00 0.00 61.00 63.77 1sme s PRO 223 Cb -0.10 -3.06 1.41 0.00 0.04 0.00 0.00 34.50 32.79 1sme s PRO 223 CO 0.01 -0.66 1.59 1.15 0.04 0.00 0.00 177.00 179.12 1sme h THR 224 N 3.62 0.03 -0.14 1.26 2.02 -1.87 0.49 112.91 118.32 1sme h THR 224 Ca -0.45 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1sme h THR 224 Cb 1.21 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1sme h THR 224 CO 0.87 0.00 0.01 -2.24 0.37 0.00 0.00 175.52 174.54 1sme h ASP 225 N 0.02 0.24 -0.10 4.18 3.04 -1.98 -2.53 116.42 119.29 1sme h ASP 225 Ca 0.86 -0.28 0.02 0.00 -3.24 0.00 0.00 57.03 54.39 1sme h ASP 225 Cb 2.51 -0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 40.72 1sme h ASP 225 CO -0.60 0.46 -0.02 0.15 -2.04 0.00 0.00 179.24 177.18 1sme h PHE 226 N 0.01 -0.05 -0.70 4.15 3.04 -0.48 0.14 116.94 123.06 1sme h PHE 226 Ca 0.04 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.11 1sme h PHE 226 Cb 0.33 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.83 1sme h PHE 226 CO 0.02 -0.04 0.46 1.25 -2.02 0.00 0.00 178.31 177.99 1sme h LEU 227 N 0.00 0.45 -0.11 0.59 5.85 -0.95 -0.75 115.31 120.40 1sme h LEU 227 Ca 0.05 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 1sme h LEU 227 Cb 0.07 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1sme h LEU 227 CO -0.10 0.26 -0.97 0.78 -0.34 0.00 0.00 178.44 178.07 1sme h ASN 228 N 0.50 0.71 -0.63 1.25 2.35 -0.76 -2.53 115.58 116.47 1sme h ASN 228 Ca 0.33 -0.56 -0.08 0.00 -0.55 0.00 0.00 56.30 55.43 1sme h ASN 228 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1sme h ASN 228 CO -0.11 1.36 0.07 0.50 -1.65 0.00 0.00 177.43 177.60 1sme h LYS 229 N 0.31 1.08 0.00 0.81 3.64 0.59 -2.38 116.57 120.62 1sme h LYS 229 Ca -0.10 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1sme h LYS 229 Cb 1.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1sme h LYS 229 CO 0.18 1.01 -0.19 0.00 -2.27 0.00 0.00 179.45 178.17 1sme h MET 230 N 1.00 0.00 0.00 1.90 -0.00 -1.23 -2.68 114.93 113.91 1sme h MET 230 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 1sme h MET 230 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1sme h MET 230 CO 0.02 0.19 0.00 1.28 -0.00 0.00 0.00 176.91 178.40 1sme n LEU 231 N -3.26 0.59 0.06 -0.10 4.77 -0.91 -2.41 117.00 115.75 1sme n LEU 231 Ca 0.01 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1sme n LEU 231 Cb 0.47 -0.56 0.32 0.00 -2.33 0.00 0.00 43.42 41.33 1sme n LEU 231 CO 0.33 -0.51 0.86 1.56 -1.33 0.00 0.00 177.39 178.31 1sme h GLN 232 N 0.00 0.36 -2.30 3.23 1.08 -1.39 -3.16 115.11 112.92 1sme h GLN 232 Ca 0.00 -0.09 -0.65 0.00 -1.45 0.00 0.00 58.65 56.46 1sme h GLN 232 Cb 0.36 -0.04 -0.38 0.00 -0.05 0.00 0.00 27.48 27.37 1sme h GLN 232 CO 0.00 0.49 -0.22 0.27 -0.95 0.00 0.00 178.83 178.42 1sme n ASN 233 N -4.23 5.05 -3.57 1.46 6.94 -1.01 -5.00 115.26 114.90 1sme n ASN 233 Ca -0.00 -3.63 -0.16 0.00 -0.02 0.00 0.00 54.58 50.76 1sme n ASN 233 Cb 0.30 -0.74 -0.07 0.00 -2.36 0.00 0.00 39.78 36.91 1sme n ASN 233 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1sme s LEU 234 N -3.45 -0.58 -0.73 -4.53 2.96 -1.20 -4.83 118.68 106.33 1sme s LEU 234 Ca 0.45 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 1sme s LEU 234 Cb 0.23 2.42 0.18 0.00 0.50 0.00 0.00 46.19 49.51 1sme s LEU 234 CO -0.10 -0.48 0.53 -1.81 -1.32 0.00 0.00 176.35 173.18 1sme s ASP 235 N -0.67 5.00 0.16 3.68 1.01 -1.26 -5.00 116.67 119.60 1sme s ASP 235 Ca -0.07 -3.83 0.11 0.00 0.71 0.00 0.00 52.55 49.47 1sme s ASP 235 Cb -0.02 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 1sme s ASP 235 CO 0.07 -0.10 -0.25 0.68 0.21 0.00 0.00 175.17 175.77 1sme s VAL 236 N -1.43 2.30 -0.14 -1.27 -7.23 -1.26 -4.78 120.40 106.59 1sme s VAL 236 Ca 0.25 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 1sme s VAL 236 Cb -0.05 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1sme s VAL 236 CO -0.16 -0.02 0.43 -0.63 -0.31 0.00 0.00 175.10 174.41 1sme s ILE 237 N -1.39 5.22 0.05 -0.62 1.01 0.99 -4.88 121.20 121.58 1sme s ILE 237 Ca 0.17 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.46 1sme s ILE 237 Cb -0.09 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 1sme s ILE 237 CO 0.08 0.33 0.60 -0.75 0.00 0.00 0.00 174.94 175.20 1sme s LYS 238 N 0.66 4.28 0.14 2.79 2.20 -1.26 0.19 119.74 128.73 1sme s LYS 238 Ca 0.23 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 1sme s LYS 238 Cb -0.15 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1sme s LYS 238 CO 0.08 0.54 1.06 0.08 -0.36 0.00 0.00 175.35 176.75 1sme s VAL 239 N -0.79 4.11 -0.29 4.02 1.01 -0.82 -4.93 120.40 122.71 1sme s VAL 239 Ca 0.30 1.77 -0.36 0.00 0.00 0.00 0.00 61.98 63.69 1sme s VAL 239 Cb -0.19 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1sme s VAL 239 CO 0.19 0.28 2.03 -2.65 0.00 0.00 0.00 175.10 174.95 1sme n PRO 240 N 2.67 1.25 -0.82 2.72 -0.02 -1.26 -2.57 135.00 136.96 1sme n PRO 240 Ca 0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1sme n PRO 240 Cb 0.47 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1sme n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sme n PHE 241 N 8.20 0.00 -4.68 6.00 3.01 -1.26 -4.98 117.46 123.74 1sme n PHE 241 Ca 0.35 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.49 1sme n PHE 241 Cb 0.21 -1.10 -0.12 0.00 -0.01 0.00 0.00 39.48 38.46 1sme n PHE 241 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sme s LEU 242 N 0.00 2.90 0.00 4.37 1.43 -1.06 -4.99 118.68 121.33 1sme s LEU 242 Ca 0.00 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1sme s LEU 242 Cb 0.00 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1sme s LEU 242 CO 0.00 0.31 1.96 -0.81 0.23 0.00 0.00 176.35 178.04 1sme n PRO 243 N 1.93 1.00 -4.31 1.29 -0.04 -1.26 -4.33 135.00 129.28 1sme n PRO 243 Ca -0.17 -0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 62.86 1sme n PRO 243 Cb 0.52 -1.22 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1sme n PRO 243 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sme s PHE 244 N 0.46 2.54 -0.01 0.54 0.08 -1.26 -4.86 117.98 115.47 1sme s PHE 244 Ca 0.10 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1sme s PHE 244 Cb 0.05 -1.32 -0.00 0.00 -0.57 0.00 0.00 43.02 41.17 1sme s PHE 244 CO 0.00 0.42 -0.07 0.71 -0.10 0.00 0.00 175.22 176.18 1sme s TYR 245 N -1.28 0.64 -0.14 0.36 1.51 -1.26 -1.94 117.35 115.25 1sme s TYR 245 Ca 0.19 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.08 1sme s TYR 245 Cb -0.10 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 1sme s TYR 245 CO 0.11 -0.02 0.06 0.08 -1.11 0.00 0.00 175.55 174.67 1sme s VAL 246 N -0.14 4.77 0.00 0.71 1.01 0.13 -0.64 120.40 126.25 1sme s VAL 246 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1sme s VAL 246 Cb -0.03 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1sme s VAL 246 CO -0.00 0.54 0.03 -0.89 0.00 0.00 0.00 175.10 174.78 1sme s THR 247 N -0.35 0.07 0.10 3.92 2.01 0.07 -0.01 115.64 121.46 1sme s THR 247 Ca 0.09 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 1sme s THR 247 Cb -0.12 -0.25 -0.08 0.00 0.01 0.00 0.00 72.50 72.06 1sme s THR 247 CO 0.02 -0.33 1.38 -0.22 -0.69 0.00 0.00 174.62 174.78 1sme s LEU 248 N -1.02 4.37 0.52 4.42 2.96 -1.26 -2.28 118.68 126.38 1sme s LEU 248 Ca -0.11 2.28 0.22 0.00 -0.22 0.00 0.00 54.13 56.30 1sme s LEU 248 Cb -0.07 -3.58 1.33 0.00 0.50 0.00 0.00 46.19 44.37 1sme s LEU 248 CO -0.00 -0.65 2.03 0.00 -1.32 0.00 0.00 176.35 176.41 1sme n ASN 250 N -4.43 0.38 -4.42 0.00 0.23 -1.26 -4.92 115.26 100.84 1sme n ASN 250 Ca 0.07 -0.23 -0.60 0.00 -0.53 0.00 0.00 54.58 53.29 1sme n ASN 250 Cb 0.46 -0.09 -0.10 0.00 -2.08 0.00 0.00 39.78 37.96 1sme n ASN 250 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1sme n ASN 251 N -1.22 1.20 0.00 0.53 2.85 -0.44 -4.79 115.26 113.40 1sme n ASN 251 Ca 0.10 0.78 0.14 0.00 -0.11 0.00 0.00 54.58 55.48 1sme n ASN 251 Cb 0.31 -0.97 0.79 0.00 1.24 0.00 0.00 39.78 41.15 1sme n ASN 251 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1sme n SER 252 N 6.98 0.00 -0.76 1.20 7.64 -1.26 -2.67 113.62 124.75 1sme n SER 252 Ca 0.46 -0.71 0.11 0.00 1.01 0.00 0.00 58.87 59.74 1sme n SER 252 Cb 0.01 -0.06 0.32 0.00 -1.01 0.00 0.00 64.21 63.47 1sme n SER 252 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sme n LYS 253 N -1.06 2.00 -2.51 1.43 4.76 -1.26 -4.86 118.16 116.66 1sme n LYS 253 Ca 0.19 -1.50 -0.42 0.00 -2.87 0.00 0.00 58.31 53.71 1sme n LYS 253 Cb 0.12 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 1sme n LYS 253 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sme s LEU 254 N -1.59 4.30 0.70 -0.35 1.43 -1.09 -4.67 118.68 117.42 1sme s LEU 254 Ca 0.34 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 1sme s LEU 254 Cb 0.19 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1sme s LEU 254 CO 0.28 -0.51 1.10 -2.16 0.23 0.00 0.00 176.35 175.30 1sme s PRO 255 N 1.80 2.60 -0.22 1.29 0.04 -1.26 -4.85 135.00 134.41 1sme s PRO 255 Ca 0.55 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1sme s PRO 255 Cb -0.25 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1sme s PRO 255 CO 0.24 -1.39 -0.14 0.99 0.04 0.00 0.00 177.00 176.74 1sme s THR 256 N -2.58 2.34 0.55 1.26 2.01 -1.26 -4.09 115.64 113.87 1sme s THR 256 Ca 0.64 -1.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 1sme s THR 256 Cb -0.19 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1sme s THR 256 CO 0.47 0.33 1.37 0.49 -0.69 0.00 0.00 174.62 176.59 1sme n PHE 257 N 4.60 2.35 -3.68 4.92 3.01 -0.71 -4.66 117.46 123.28 1sme n PHE 257 Ca -0.18 0.43 -0.27 0.00 1.01 0.00 0.00 57.45 58.43 1sme n PHE 257 Cb 0.48 -2.37 -0.16 0.00 -0.01 0.00 0.00 39.48 37.41 1sme n PHE 257 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1sme s GLU 258 N -2.89 0.44 -0.16 -1.08 2.02 0.67 -1.39 118.70 116.32 1sme s GLU 258 Ca 0.71 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1sme s GLU 258 Cb -0.42 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 1sme s GLU 258 CO 0.49 -0.72 -0.15 -0.06 0.02 0.00 0.00 175.26 174.85 1sme s PHE 259 N 1.94 2.79 0.17 1.61 0.08 0.18 -0.16 117.98 124.59 1sme s PHE 259 Ca 0.02 -1.09 0.01 0.00 0.12 0.00 0.00 56.93 55.99 1sme s PHE 259 Cb -0.17 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1sme s PHE 259 CO -0.12 -0.51 0.02 0.25 -0.10 0.00 0.00 175.22 174.76 1sme n THR 260 N 4.15 0.00 -3.70 0.64 -2.24 -1.07 0.87 114.28 112.93 1sme n THR 260 Ca -0.19 -0.86 -0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1sme n THR 260 Cb 0.52 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1sme n THR 260 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sme s SER 261 N -1.96 -0.08 0.33 3.42 1.04 0.10 -2.82 113.70 113.73 1sme s SER 261 Ca 0.03 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1sme s SER 261 Cb 0.00 0.28 0.58 0.00 0.10 0.00 0.00 66.02 66.99 1sme s SER 261 CO 0.02 -0.53 1.98 -0.33 0.98 0.00 0.00 173.24 175.36 1sme h GLU 262 N 2.00 0.87 0.00 4.02 5.08 -1.99 -3.00 114.58 121.57 1sme h GLU 262 Ca -0.28 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1sme h GLU 262 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1sme h GLU 262 CO 0.28 0.60 -0.51 -0.91 -1.00 0.00 0.00 179.01 177.47 1sme h ASN 263 N 0.89 0.00 -4.92 1.42 4.21 -1.94 -3.48 115.58 111.76 1sme h ASN 263 Ca 0.24 0.00 0.22 0.00 1.21 0.00 0.00 56.30 57.97 1sme h ASN 263 Cb -0.06 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.00 1sme h ASN 263 CO -0.05 0.28 0.68 -0.83 -1.29 0.00 0.00 177.43 176.22 1sme s GLY 264 N -4.40 -0.35 -0.10 2.83 0.00 -1.13 -4.92 107.32 99.24 1sme s GLY 264 Ca 0.04 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.75 1sme s GLY 264 CO 0.73 0.28 -0.23 1.25 0.00 0.00 0.00 173.10 175.13 1sme s LYS 265 N -2.75 2.98 -0.03 2.90 2.20 -1.26 0.03 119.74 123.79 1sme s LYS 265 Ca 0.10 -0.85 0.05 0.00 -0.36 0.00 0.00 55.97 54.91 1sme s LYS 265 Cb 0.00 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1sme s LYS 265 CO -0.04 0.15 -0.20 0.71 -0.36 0.00 0.00 175.35 175.61 1sme s TYR 266 N 0.40 1.88 0.12 4.03 2.02 0.25 -4.99 117.35 121.06 1sme s TYR 266 Ca -0.18 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.13 1sme s TYR 266 Cb -0.18 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1sme s TYR 266 CO 0.08 -0.12 -0.17 0.95 -1.57 0.00 0.00 175.55 174.72 1sme s THR 267 N -0.22 1.50 -0.28 -0.71 -4.23 -1.26 -0.65 115.64 109.80 1sme s THR 267 Ca 0.01 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1sme s THR 267 Cb -0.10 -1.52 0.09 0.00 1.34 0.00 0.00 72.50 72.31 1sme s THR 267 CO 0.01 -0.26 0.11 -0.22 -0.54 0.00 0.00 174.62 173.72 1sme s LEU 268 N -2.21 1.19 0.53 4.79 2.96 -0.49 -4.95 118.68 120.50 1sme s LEU 268 Ca 0.08 -1.32 -0.18 0.00 -0.22 0.00 0.00 54.13 52.49 1sme s LEU 268 Cb -0.07 -0.55 -0.07 0.00 0.50 0.00 0.00 46.19 46.00 1sme s LEU 268 CO 0.04 -0.41 1.02 -1.61 -1.32 0.00 0.00 176.35 174.07 1sme s GLU 269 N 1.91 3.70 0.55 1.98 8.01 -1.26 -1.73 118.70 131.85 1sme s GLU 269 Ca 0.08 1.16 0.38 0.00 0.01 0.00 0.00 54.97 56.60 1sme s GLU 269 Cb -0.17 -2.09 1.58 0.00 -4.31 0.00 0.00 34.13 29.14 1sme s GLU 269 CO -0.28 -0.49 1.78 -1.00 0.01 0.00 0.00 175.26 175.28 1sme h PRO 270 N 0.98 0.00 -0.38 0.39 0.13 -1.89 0.87 132.00 132.11 1sme h PRO 270 Ca -0.48 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1sme h PRO 270 Cb 1.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1sme h PRO 270 CO 0.59 0.00 0.25 0.93 -0.23 0.00 0.00 178.00 179.55 1sme h GLU 271 N 0.00 0.39 0.14 0.86 5.08 -1.92 -1.64 114.58 117.50 1sme h GLU 271 Ca 0.61 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.61 1sme h GLU 271 Cb 2.46 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.61 1sme h GLU 271 CO -0.01 0.26 -1.74 1.88 -1.00 0.00 0.00 179.01 178.40 1sme h TYR 272 N 0.41 0.53 0.00 4.33 0.05 -1.18 -3.39 116.97 117.72 1sme h TYR 272 Ca 0.15 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1sme h TYR 272 Cb 0.11 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1sme h TYR 272 CO -0.00 1.57 -1.35 2.48 -1.05 0.00 0.00 178.16 179.81 1sme n TYR 273 N -3.48 0.48 -1.89 4.88 0.18 -1.19 -4.55 117.16 111.58 1sme n TYR 273 Ca -0.23 0.14 -0.42 0.00 1.88 0.00 0.00 57.90 59.27 1sme n TYR 273 Cb 1.06 -0.68 -0.02 0.00 -0.38 0.00 0.00 39.34 39.31 1sme n TYR 273 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1sme s LEU 274 N -4.75 4.37 -0.47 -3.48 1.43 -0.62 -4.52 118.68 110.63 1sme s LEU 274 Ca -0.02 2.78 -0.15 0.00 -1.03 0.00 0.00 54.13 55.71 1sme s LEU 274 Cb 0.12 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.80 1sme s LEU 274 CO 0.83 -0.82 0.39 -1.58 0.23 0.00 0.00 176.35 175.41 1sme s GLN 275 N -0.12 2.95 0.53 1.70 0.74 -0.40 -4.95 119.66 120.12 1sme s GLN 275 Ca 0.63 -1.39 -0.22 0.00 0.05 0.00 0.00 55.36 54.44 1sme s GLN 275 Cb -0.45 -4.12 -0.06 0.00 1.10 0.00 0.00 33.01 29.48 1sme s GLN 275 CO 0.43 -1.05 1.22 0.72 -0.55 0.00 0.00 175.29 176.06 1sme n HIS 276 N 5.19 1.84 -3.21 1.67 8.25 -1.26 0.33 115.22 128.02 1sme n HIS 276 Ca -0.12 0.45 -0.23 0.00 -0.26 0.00 0.00 57.72 57.56 1sme n HIS 276 Cb 0.43 -2.30 -0.06 0.00 1.12 0.00 0.00 29.99 29.18 1sme n HIS 276 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1sme n ILE 277 N -1.03 -0.01 0.16 1.59 2.08 0.27 -4.74 119.36 117.69 1sme n ILE 277 Ca 0.11 -4.36 0.04 0.00 0.56 0.00 0.00 62.75 59.09 1sme n ILE 277 Cb 0.44 -1.60 0.17 0.00 -0.75 0.00 0.00 39.64 37.90 1sme n ILE 277 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1sme h GLU 278 N 3.77 0.00 0.00 0.38 4.57 -1.70 -2.12 114.58 119.48 1sme h GLU 278 Ca 0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1sme h GLU 278 Cb 0.85 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1sme h GLU 278 CO 0.54 0.44 -0.07 -0.44 -1.18 0.00 0.00 179.01 178.30 1sme h ASP 279 N 0.00 0.00 0.00 1.04 3.32 -1.94 -3.23 116.42 115.61 1sme h ASP 279 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1sme h ASP 279 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1sme h ASP 279 CO 0.06 0.07 -0.80 0.52 -1.72 0.00 0.00 179.24 177.36 1sme n VAL 280 N -3.23 1.46 -3.76 -1.35 0.31 -1.19 -5.05 118.33 105.53 1sme n VAL 280 Ca -0.00 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1sme n VAL 280 Cb 0.31 -2.34 -0.09 0.00 -0.91 0.00 0.00 33.84 30.82 1sme n VAL 280 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1sme s GLY 281 N -4.55 -0.16 0.08 2.92 0.00 -0.80 -5.08 107.32 99.72 1sme s GLY 281 Ca -0.21 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 1sme s GLY 281 CO 0.32 0.16 1.35 -2.55 0.00 0.00 0.00 173.10 172.38 1sme h PRO 282 N 3.93 -0.32 -0.84 2.90 0.11 -1.82 -2.40 132.00 133.56 1sme h PRO 282 Ca -0.29 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 1sme h PRO 282 Cb 1.18 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1sme h PRO 282 CO 0.39 -0.21 0.16 0.41 -0.21 0.00 0.00 178.00 178.54 1sme n GLY 283 N -1.26 2.87 3.86 -0.55 0.00 -1.26 -4.81 105.19 104.04 1sme n GLY 283 Ca -0.03 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1sme n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sme s LEU 284 N -1.87 4.30 -0.05 0.99 1.02 -0.90 0.21 118.68 122.38 1sme s LEU 284 Ca 0.35 0.91 -0.30 0.00 0.02 0.00 0.00 54.13 55.10 1sme s LEU 284 Cb 0.28 -3.27 0.11 0.00 0.02 0.00 0.00 46.19 43.33 1sme s LEU 284 CO 0.09 0.08 0.98 0.00 0.02 0.00 0.00 176.35 177.52 1sme s MET 286 N -2.94 4.32 0.21 0.00 1.00 0.15 -0.75 119.30 121.30 1sme s MET 286 Ca 0.07 0.90 -0.09 0.00 0.00 0.00 0.00 55.69 56.57 1sme s MET 286 Cb -0.01 -3.08 0.23 0.00 0.00 0.00 0.00 34.83 31.97 1sme s MET 286 CO -0.07 0.51 1.82 1.25 0.00 0.00 0.00 175.02 178.53 1sme h LEU 287 N 3.97 0.60 1.27 -0.03 5.85 -1.19 -1.06 115.31 124.72 1sme h LEU 287 Ca -0.48 0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.03 1sme h LEU 287 Cb 1.20 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1sme h LEU 287 CO 0.65 0.39 -0.26 -3.20 -0.34 0.00 0.00 178.44 175.68 1sme n ASN 288 N -4.75 -3.89 -4.00 1.25 4.05 -1.26 -4.22 115.26 102.44 1sme n ASN 288 Ca 0.08 0.08 -0.31 0.00 0.45 0.00 0.00 54.58 54.89 1sme n ASN 288 Cb 0.15 -2.88 -0.15 0.00 1.23 0.00 0.00 39.78 38.13 1sme n ASN 288 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1sme s ILE 289 N -2.52 2.13 0.29 -1.44 1.01 -1.26 -2.04 121.20 117.38 1sme s ILE 289 Ca 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 60.65 58.38 1sme s ILE 289 Cb 0.00 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 1sme s ILE 289 CO 0.00 -0.57 0.58 -0.63 0.00 0.00 0.00 174.94 174.33 1sme s ILE 290 N 0.98 4.98 -0.03 2.92 -1.09 -1.02 -4.92 121.20 123.02 1sme s ILE 290 Ca 0.09 0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.61 1sme s ILE 290 Cb -0.19 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1sme s ILE 290 CO -0.09 -0.30 0.32 -0.83 -1.23 0.00 0.00 174.94 172.81 1sme s GLY 291 N -3.02 2.37 -0.28 6.18 0.00 -1.25 -0.51 107.32 110.80 1sme s GLY 291 Ca 0.46 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.82 1sme s GLY 291 CO 0.29 -0.06 0.51 -2.27 0.00 0.00 0.00 173.10 171.57 1sme s LEU 292 N -1.16 -1.17 -0.28 0.66 2.96 -0.55 -4.79 118.68 114.35 1sme s LEU 292 Ca 0.22 0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 54.17 1sme s LEU 292 Cb -0.15 1.68 -0.00 0.00 0.50 0.00 0.00 46.19 48.22 1sme s LEU 292 CO 0.11 -0.30 0.80 -1.81 -1.32 0.00 0.00 176.35 173.83 1sme s ASP 293 N 2.72 6.71 0.25 3.68 1.01 -1.26 -4.36 116.67 125.42 1sme s ASP 293 Ca 0.14 0.79 0.08 0.00 0.71 0.00 0.00 52.55 54.27 1sme s ASP 293 Cb -0.13 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1sme s ASP 293 CO -0.23 -0.57 0.11 -0.36 0.21 0.00 0.00 175.17 174.33 1sme s PHE 294 N 2.91 2.96 0.36 4.23 0.40 -1.26 -5.00 117.98 122.57 1sme s PHE 294 Ca 0.33 -0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.60 1sme s PHE 294 Cb -0.14 -1.34 0.82 0.00 0.51 0.00 0.00 43.02 42.87 1sme s PHE 294 CO 0.11 0.56 1.88 -1.00 0.70 0.00 0.00 175.22 177.46 1sme h PRO 295 N 1.74 0.67 -5.25 0.24 0.13 -2.01 -3.34 132.00 124.17 1sme h PRO 295 Ca -0.47 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.01 1sme h PRO 295 Cb 1.24 -0.15 -0.15 0.00 0.13 0.00 0.00 31.00 32.07 1sme h PRO 295 CO 0.61 0.44 -0.54 0.08 -0.23 0.00 0.00 178.00 178.36 1sme s VAL 296 N -5.67 4.96 -0.66 1.56 1.01 -1.26 -4.99 120.40 115.36 1sme s VAL 296 Ca -0.10 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1sme s VAL 296 Cb 0.22 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1sme s VAL 296 CO 0.79 0.44 2.42 -0.81 0.00 0.00 0.00 175.10 177.94 1sme n PRO 297 N 3.62 0.75 -4.04 2.72 -0.04 -1.25 -4.90 135.00 131.87 1sme n PRO 297 Ca -0.16 -0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 62.60 1sme n PRO 297 Cb 0.52 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 1sme n PRO 297 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1sme s THR 298 N 12.89 4.75 -0.18 0.52 2.01 -1.26 -2.94 115.64 131.43 1sme s THR 298 Ca 0.99 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1sme s THR 298 Cb -0.22 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1sme s THR 298 CO 0.20 0.19 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.79 1sme s PHE 299 N -1.36 2.81 -0.51 4.92 0.40 0.38 -3.95 117.98 120.66 1sme s PHE 299 Ca 0.29 -1.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.02 1sme s PHE 299 Cb -0.12 -1.94 0.07 0.00 0.51 0.00 0.00 43.02 41.54 1sme s PHE 299 CO 0.21 -0.70 0.57 0.42 0.70 0.00 0.00 175.22 176.42 1sme s ILE 300 N 1.23 4.98 -0.81 0.64 1.01 -0.56 -0.05 121.20 127.64 1sme s ILE 300 Ca 0.03 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1sme s ILE 300 Cb -0.14 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1sme s ILE 300 CO -0.09 -0.80 1.23 -0.76 0.00 0.00 0.00 174.94 174.52 1sme s LEU 301 N 2.32 3.76 0.00 2.97 1.43 0.82 -1.32 118.68 128.65 1sme s LEU 301 Ca 0.11 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1sme s LEU 301 Cb -0.22 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1sme s LEU 301 CO 0.09 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 175.71 1sme n GLY 302 N 5.75 -0.67 0.28 -3.19 0.00 -1.02 -0.65 105.19 105.69 1sme n GLY 302 Ca 0.11 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.50 1sme n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sme h ASP 303 N 0.00 -0.58 -0.91 1.61 3.32 -1.07 -1.41 116.42 117.38 1sme h ASP 303 Ca 0.00 0.22 0.21 0.00 0.02 0.00 0.00 57.03 57.47 1sme h ASP 303 Cb 0.00 0.43 -0.17 0.00 0.22 0.00 0.00 39.33 39.81 1sme h ASP 303 CO 0.00 -0.23 -0.12 -0.65 -1.72 0.00 0.00 179.24 176.52 1sme h PRO 304 N 0.03 0.02 0.07 3.56 0.11 -1.80 2.02 132.00 136.01 1sme h PRO 304 Ca 0.38 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1sme h PRO 304 Cb 0.63 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1sme h PRO 304 CO -0.74 0.01 -0.03 0.35 -0.21 0.00 0.00 178.00 177.37 1sme h PHE 305 N 0.02 -0.09 0.00 0.65 3.57 -1.56 -2.68 116.94 116.84 1sme h PHE 305 Ca 0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 1sme h PHE 305 Cb 0.83 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1sme h PHE 305 CO -0.61 0.08 -0.06 0.52 -2.23 0.00 0.00 178.31 176.01 1sme h MET 306 N -0.24 0.00 0.00 1.11 2.86 0.16 0.39 114.93 119.21 1sme h MET 306 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sme h MET 306 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sme h MET 306 CO 0.02 0.06 0.00 -0.09 1.06 0.00 0.00 176.91 177.95 1sme h ARG 307 N 0.00 0.00 0.00 1.72 2.43 0.30 -3.24 114.38 115.59 1sme h ARG 307 Ca -0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 1sme h ARG 307 Cb 0.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1sme h ARG 307 CO 0.01 0.00 -1.98 1.17 -1.51 0.00 0.00 179.97 177.66 1sme n LYS 308 N -2.35 0.72 -4.16 0.20 4.81 -0.42 -4.93 118.16 112.03 1sme n LYS 308 Ca 0.03 0.08 -0.35 0.00 -0.87 0.00 0.00 58.31 57.21 1sme n LYS 308 Cb 0.32 -1.35 -0.12 0.00 0.02 0.00 0.00 35.03 33.90 1sme n LYS 308 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sme s TYR 309 N -2.34 3.04 0.16 5.64 2.02 -0.01 -1.86 117.35 124.00 1sme s TYR 309 Ca -0.20 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.79 1sme s TYR 309 Cb 0.06 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.48 1sme s TYR 309 CO 0.44 -0.17 1.45 0.12 -1.57 0.00 0.00 175.55 175.81 1sme s PHE 310 N 0.80 3.16 -0.08 2.71 5.36 0.17 -4.55 117.98 125.55 1sme s PHE 310 Ca 0.00 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 56.88 1sme s PHE 310 Cb -0.14 -3.77 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1sme s PHE 310 CO 0.02 -2.71 -0.17 0.95 -1.46 0.00 0.00 175.22 171.85 1sme s THR 311 N 0.87 1.51 -0.22 0.12 -4.23 -1.20 -1.95 115.64 110.54 1sme s THR 311 Ca 0.65 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 60.40 1sme s THR 311 Cb -0.40 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1sme s THR 311 CO 0.33 0.44 0.04 -0.69 -0.54 0.00 0.00 174.62 174.19 1sme s VAL 312 N 0.56 4.14 -0.26 2.29 1.01 0.52 -1.99 120.40 126.66 1sme s VAL 312 Ca -0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1sme s VAL 312 Cb -0.17 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1sme s VAL 312 CO 0.05 0.39 0.15 -0.36 0.00 0.00 0.00 175.10 175.33 1sme s PHE 313 N 1.30 3.20 -0.27 5.22 0.40 -0.36 -0.33 117.98 127.14 1sme s PHE 313 Ca 0.04 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1sme s PHE 313 Cb -0.15 -2.32 0.06 0.00 0.51 0.00 0.00 43.02 41.12 1sme s PHE 313 CO 0.02 -0.18 -0.08 0.34 0.70 0.00 0.00 175.22 176.02 1sme s ASP 314 N 1.60 4.55 -0.07 1.36 -1.08 -0.87 -1.01 116.67 121.16 1sme s ASP 314 Ca 0.07 -1.37 -0.24 0.00 -0.52 0.00 0.00 52.55 50.48 1sme s ASP 314 Cb -0.15 -1.59 -0.27 0.00 -1.46 0.00 0.00 42.92 39.45 1sme s ASP 314 CO 0.08 -0.21 0.92 1.88 0.52 0.00 0.00 175.17 178.36 1sme h TYR 315 N 7.82 0.31 -0.88 -5.34 0.05 -1.77 -1.34 116.97 115.82 1sme h TYR 315 Ca -0.19 -0.21 0.16 0.00 0.05 0.00 0.00 58.73 58.54 1sme h TYR 315 Cb 1.05 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.69 1sme h TYR 315 CO 0.63 1.10 0.57 -0.44 -1.05 0.00 0.00 178.16 178.97 1sme h ASP 316 N -0.56 0.58 -0.08 3.88 3.32 -1.94 -2.71 116.42 118.92 1sme h ASP 316 Ca -0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1sme h ASP 316 Cb 1.25 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1sme h ASP 316 CO 0.08 0.28 0.00 0.59 -1.72 0.00 0.00 179.24 178.47 1sme n ASN 317 N -4.55 2.49 -4.28 6.45 3.02 -1.25 -5.00 115.26 112.15 1sme n ASN 317 Ca 0.18 -2.51 -0.33 0.00 -0.03 0.00 0.00 54.58 51.89 1sme n ASN 317 Cb 0.52 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 1sme n ASN 317 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sme n HIS 318 N -0.69 -1.40 -4.57 3.10 8.25 -0.57 -4.90 115.22 114.44 1sme n HIS 318 Ca 0.10 0.69 -0.26 0.00 -0.26 0.00 0.00 57.72 57.98 1sme n HIS 318 Cb 0.49 -2.82 -0.10 0.00 1.12 0.00 0.00 29.99 28.68 1sme n HIS 318 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1sme s SER 319 N -3.96 3.23 -0.06 0.41 0.01 -0.82 -1.22 113.70 111.29 1sme s SER 319 Ca 0.30 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 1sme s SER 319 Cb -0.17 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1sme s SER 319 CO 0.97 -0.66 0.01 -0.69 0.41 0.00 0.00 173.24 173.28 1sme s VAL 320 N -3.03 0.25 -0.18 3.43 1.01 -0.63 -2.04 120.40 119.22 1sme s VAL 320 Ca 0.28 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1sme s VAL 320 Cb 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1sme s VAL 320 CO 0.14 0.23 0.14 -0.83 0.00 0.00 0.00 175.10 174.78 1sme s GLY 321 N 1.94 2.08 -0.10 4.51 0.00 0.55 -0.83 107.32 115.47 1sme s GLY 321 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1sme s GLY 321 CO -0.04 0.04 -0.10 -0.42 0.00 0.00 0.00 173.10 172.58 1sme s ILE 322 N 0.05 1.12 0.03 0.90 1.01 0.14 -0.36 121.20 124.10 1sme s ILE 322 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1sme s ILE 322 Cb -0.11 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1sme s ILE 322 CO -0.00 0.37 0.06 0.00 0.00 0.00 0.00 174.94 175.37 1sme s ALA 323 N 1.23 0.00 0.07 9.38 0.00 -0.82 -0.62 121.76 131.01 1sme s ALA 323 Ca -0.04 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1sme s ALA 323 Cb -0.14 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1sme s ALA 323 CO -0.03 -0.27 1.52 -1.17 0.00 0.00 0.00 175.76 175.81 1sme s LEU 324 N -1.97 4.35 0.14 0.00 2.96 -1.22 0.46 118.68 123.40 1sme s LEU 324 Ca -0.07 2.38 -0.24 0.00 -0.22 0.00 0.00 54.13 55.98 1sme s LEU 324 Cb -0.03 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1sme s LEU 324 CO -0.04 -0.79 0.72 0.00 -1.32 0.00 0.00 176.35 174.93 1sme s ALA 325 N 2.04 3.49 0.33 5.97 0.00 -0.78 -1.12 121.76 131.70 1sme s ALA 325 Ca 0.69 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1sme s ALA 325 Cb -0.38 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1sme s ALA 325 CO 0.30 0.32 0.43 -1.59 0.00 0.00 0.00 175.76 175.23 1sme s LYS 326 N -1.12 3.06 -0.64 0.00 -2.85 -1.25 -4.87 119.74 112.07 1sme s LYS 326 Ca 0.34 -1.06 0.05 0.00 -1.00 0.00 0.00 55.97 54.30 1sme s LYS 326 Cb -0.22 -2.76 0.17 0.00 -2.06 0.00 0.00 37.83 32.96 1sme s LYS 326 CO 0.24 0.08 0.47 1.17 0.10 0.00 0.00 175.35 177.41 1sme n LYS 327 N -1.58 1.47 -4.45 1.78 4.81 -1.26 -4.86 118.16 114.07 1sme n LYS 327 Ca -0.01 -4.19 -0.24 0.00 -0.87 0.00 0.00 58.31 53.01 1sme n LYS 327 Cb 0.58 -2.14 -0.08 0.00 0.02 0.00 0.00 35.03 33.41 1sme n LYS 327 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1sme s ASN 328 N -1.15 2.42 0.00 3.14 -0.87 -1.26 -5.07 114.94 112.15 1sme s ASN 328 Ca 0.27 -1.68 0.00 0.00 -1.57 0.00 0.00 52.86 49.88 1sme s ASN 328 Cb -0.01 0.51 0.00 0.00 -0.02 0.00 0.00 41.25 41.72 1sme s ASN 328 CO -0.17 -0.96 0.00 -0.11 -2.57 0.00 0.00 177.10 173.29