#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcn h GLY 11 N 0.00 -0.25 0.00 3.41 0.00 -1.98 -3.44 103.07 100.81 1jcn h GLY 11 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1jcn h GLY 11 CO 0.00 -0.09 0.00 1.58 0.00 0.00 0.00 176.54 178.03 1jcn n TYR 12 N -4.96 0.00 -0.03 5.60 4.11 -1.26 -4.94 117.16 115.69 1jcn n TYR 12 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.76 1jcn n TYR 12 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.59 1jcn n TYR 12 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1jcn n VAL 13 N -0.02 1.33 0.00 -3.48 0.31 -1.26 -5.03 118.33 110.18 1jcn n VAL 13 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1jcn n VAL 13 Cb 0.00 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1jcn n VAL 13 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1jcn n PRO 14 N -3.96 0.00 -3.81 5.55 -0.02 -1.26 -4.98 135.00 126.52 1jcn n PRO 14 Ca -0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 1jcn n PRO 14 Cb 0.30 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.66 1jcn n PRO 14 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1jcn s GLU 15 N 0.28 2.39 0.00 -0.52 2.56 -1.26 -5.08 118.70 117.06 1jcn s GLU 15 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 54.97 53.57 1jcn s GLU 15 Cb 0.00 -3.40 0.00 0.00 2.00 0.00 0.00 34.13 32.73 1jcn s GLU 15 CO 0.00 -0.77 0.00 -3.47 -0.56 0.00 0.00 175.26 170.46 1jcn n ASP 16 N 4.69 0.00 0.00 -1.70 2.03 -1.26 -5.11 116.55 115.20 1jcn n ASP 16 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1jcn n ASP 16 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1jcn n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jcn n GLY 17 N 4.15 1.93 3.36 0.27 0.00 -1.26 -5.10 105.19 108.53 1jcn n GLY 17 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1jcn n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcn s LEU 18 N 0.00 2.24 0.75 0.99 1.43 0.34 -4.87 118.68 119.56 1jcn s LEU 18 Ca 0.00 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1jcn s LEU 18 Cb 0.00 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 45.03 1jcn s LEU 18 CO 0.00 0.21 1.11 0.42 0.23 0.00 0.00 176.35 178.33 1jcn s THR 19 N -0.93 3.07 0.30 5.49 -4.23 -1.26 0.50 115.64 118.58 1jcn s THR 19 Ca 0.12 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1jcn s THR 19 Cb -0.10 -3.28 0.15 0.00 1.34 0.00 0.00 72.50 70.61 1jcn s THR 19 CO 0.04 -0.45 1.84 0.00 -0.54 0.00 0.00 174.62 175.50 1jcn h ALA 20 N -0.85 1.27 0.00 3.99 0.00 -1.82 -0.35 119.26 121.50 1jcn h ALA 20 Ca -0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1jcn h ALA 20 Cb 1.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jcn h ALA 20 CO 0.63 0.50 -0.09 -0.56 0.00 0.00 0.00 179.25 179.73 1jcn h GLN 21 N 0.64 0.00 0.00 0.00 3.07 -1.93 -1.49 115.11 115.40 1jcn h GLN 21 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.80 1jcn h GLN 21 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 1jcn h GLN 21 CO 0.01 0.09 -0.48 1.96 0.09 0.00 0.00 178.83 180.50 1jcn h GLN 22 N 0.00 0.00 -0.22 0.06 4.20 -1.71 -3.31 115.11 114.13 1jcn h GLN 22 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1jcn h GLN 22 Cb 0.52 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1jcn h GLN 22 CO 0.01 0.74 -0.18 1.25 -0.67 0.00 0.00 178.83 179.97 1jcn h LEU 23 N -1.00 -0.59 -1.56 1.46 5.85 -1.03 -1.63 115.31 116.81 1jcn h LEU 23 Ca -0.12 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jcn h LEU 23 Cb 0.90 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1jcn h LEU 23 CO -0.07 -0.23 0.02 0.49 -0.34 0.00 0.00 178.44 178.31 1jcn n PHE 24 N -5.34 0.38 -0.26 1.25 3.01 -0.57 -2.77 117.46 113.17 1jcn n PHE 24 Ca -0.01 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1jcn n PHE 24 Cb 0.25 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1jcn n PHE 24 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jcn n ALA 25 N 0.12 1.85 -1.00 4.37 0.00 -0.63 -4.96 120.51 120.26 1jcn n ALA 25 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1jcn n ALA 25 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1jcn n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jcn n SER 26 N -0.02 0.00 0.00 0.00 7.64 -1.11 -4.94 113.62 115.19 1jcn n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jcn n SER 26 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1jcn n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jcn n ALA 27 N -3.00 0.00 -2.42 -0.43 0.00 -1.26 -5.10 120.51 108.30 1jcn n ALA 27 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1jcn n ALA 27 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1jcn n ALA 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jcn s ASP 28 N 0.00 2.81 0.26 0.00 -0.00 -1.26 -5.11 116.67 113.36 1jcn s ASP 28 Ca 0.00 -0.56 -0.29 0.00 -0.00 0.00 0.00 52.55 51.70 1jcn s ASP 28 Cb 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 42.92 42.58 1jcn s ASP 28 CO 0.00 0.21 0.98 -0.62 -0.00 0.00 0.00 175.17 175.74 1jcn s ASP 29 N -1.22 7.51 0.09 0.27 2.15 -1.26 -4.93 116.67 119.28 1jcn s ASP 29 Ca 0.10 2.02 0.04 0.00 0.43 0.00 0.00 52.55 55.13 1jcn s ASP 29 Cb -0.09 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1jcn s ASP 29 CO 0.02 0.05 0.06 -0.76 -0.17 0.00 0.00 175.17 174.37 1jcn s LEU 30 N -1.35 3.70 0.30 -1.34 1.02 -1.26 -4.89 118.68 114.86 1jcn s LEU 30 Ca 0.43 -0.07 0.08 0.00 0.02 0.00 0.00 54.13 54.59 1jcn s LEU 30 Cb -0.27 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 1jcn s LEU 30 CO 0.33 0.17 0.21 -0.89 0.02 0.00 0.00 176.35 176.19 1jcn s THR 31 N -1.39 3.78 0.40 5.49 2.01 -1.26 -1.39 115.64 123.28 1jcn s THR 31 Ca 0.28 -1.48 0.09 0.00 0.31 0.00 0.00 61.69 60.89 1jcn s THR 31 Cb -0.12 -3.20 0.30 0.00 0.01 0.00 0.00 72.50 69.49 1jcn s THR 31 CO 0.21 -0.26 1.99 1.88 -0.69 0.00 0.00 174.62 177.75 1jcn h TYR 32 N 1.44 0.58 -0.00 4.92 0.05 -1.95 -1.43 116.97 120.57 1jcn h TYR 32 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1jcn h TYR 32 Cb 1.25 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1jcn h TYR 32 CO 0.57 0.31 -0.01 0.09 -1.05 0.00 0.00 178.16 178.07 1jcn n ASN 33 N -4.48 0.05 -0.01 3.88 3.02 -1.26 -3.80 115.26 112.67 1jcn n ASN 33 Ca 0.09 -0.55 0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1jcn n ASN 33 Cb 0.25 -0.15 0.65 0.00 -0.61 0.00 0.00 39.78 39.92 1jcn n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jcn n ASP 34 N -1.12 0.04 -3.68 6.41 8.00 -0.54 -4.89 116.55 120.76 1jcn n ASP 34 Ca 0.18 0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.78 1jcn n ASP 34 Cb 0.19 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 1jcn n ASP 34 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jcn s PHE 35 N -2.83 0.43 0.11 1.24 -0.12 -1.25 -0.93 117.98 114.63 1jcn s PHE 35 Ca 0.20 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 1jcn s PHE 35 Cb 0.19 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1jcn s PHE 35 CO 0.51 -1.12 -0.10 -0.51 -0.05 0.00 0.00 175.22 173.95 1jcn s LEU 36 N -3.06 2.44 -0.17 -1.99 1.43 -0.35 -4.94 118.68 112.03 1jcn s LEU 36 Ca 0.22 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1jcn s LEU 36 Cb -0.02 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.86 1jcn s LEU 36 CO 0.12 -0.29 0.13 -0.63 0.23 0.00 0.00 176.35 175.90 1jcn s ILE 37 N -2.68 5.38 0.08 -0.59 1.01 -1.26 -1.28 121.20 121.85 1jcn s ILE 37 Ca 0.08 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 1jcn s ILE 37 Cb -0.01 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1jcn s ILE 37 CO -0.00 0.51 1.02 -0.76 0.00 0.00 0.00 174.94 175.71 1jcn s LEU 38 N -0.19 4.44 0.83 2.97 1.02 -0.18 -4.96 118.68 122.61 1jcn s LEU 38 Ca 0.10 1.82 -0.11 0.00 0.02 0.00 0.00 54.13 55.97 1jcn s LEU 38 Cb -0.11 -3.58 0.09 0.00 0.02 0.00 0.00 46.19 42.61 1jcn s LEU 38 CO 0.00 -0.21 1.10 -2.16 0.02 0.00 0.00 176.35 175.11 1jcn s PRO 39 N 0.43 1.73 0.00 1.29 0.04 -1.26 -4.65 135.00 132.58 1jcn s PRO 39 Ca 0.51 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1jcn s PRO 39 Cb -0.24 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1jcn s PRO 39 CO 0.30 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1jcn n GLY 40 N -0.85 4.04 3.50 0.56 0.00 -0.52 -4.95 105.19 106.97 1jcn n GLY 40 Ca 0.09 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1jcn n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jcn s PHE 41 N 3.71 3.02 -0.23 1.61 5.36 -1.26 -4.86 117.98 125.32 1jcn s PHE 41 Ca 0.00 -0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 55.60 1jcn s PHE 41 Cb 0.00 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1jcn s PHE 41 CO 0.00 -0.03 0.05 0.42 -1.46 0.00 0.00 175.22 174.20 1jcn s ILE 42 N 0.33 4.22 -0.05 3.12 1.01 -1.26 -4.06 121.20 124.51 1jcn s ILE 42 Ca -0.04 -0.21 0.24 0.00 0.00 0.00 0.00 60.65 60.64 1jcn s ILE 42 Cb -0.14 -2.96 0.44 0.00 0.01 0.00 0.00 42.46 39.81 1jcn s ILE 42 CO 0.03 0.37 1.17 -0.90 0.00 0.00 0.00 174.94 175.61 1jcn n ASP 43 N 4.68 1.17 -3.79 3.58 5.75 -1.26 -5.09 116.55 121.58 1jcn n ASP 43 Ca -0.16 -2.18 -0.08 0.00 -0.01 0.00 0.00 54.79 52.35 1jcn n ASP 43 Cb 0.51 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 1jcn n ASP 43 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1jcn s PHE 44 N -0.73 -0.15 0.26 2.11 -0.71 -1.26 -5.17 117.98 112.33 1jcn s PHE 44 Ca 0.34 -0.24 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 1jcn s PHE 44 Cb 0.38 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.69 1jcn s PHE 44 CO -0.15 -1.09 0.53 0.96 -1.34 0.00 0.00 175.22 174.13 1jcn s ILE 45 N -3.90 5.04 0.30 -4.49 -4.36 -1.26 -4.99 121.20 107.54 1jcn s ILE 45 Ca 0.11 0.06 -0.00 0.00 -0.26 0.00 0.00 60.65 60.56 1jcn s ILE 45 Cb -0.04 -3.71 0.27 0.00 1.25 0.00 0.00 42.46 40.24 1jcn s ILE 45 CO 0.02 -0.26 1.94 0.00 0.24 0.00 0.00 174.94 176.88 1jcn h ALA 46 N 1.88 1.48 0.00 2.27 0.00 -1.98 -1.27 119.26 121.64 1jcn h ALA 46 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jcn h ALA 46 Cb 1.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1jcn h ALA 46 CO 0.67 0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.94 1jcn n ASP 47 N -4.46 0.00 0.00 0.00 5.75 -1.26 -1.56 116.55 115.02 1jcn n ASP 47 Ca 0.12 -0.09 0.11 0.00 -0.01 0.00 0.00 54.79 54.93 1jcn n ASP 47 Cb 0.13 -0.16 0.13 0.00 -1.03 0.00 0.00 41.12 40.20 1jcn n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jcn n GLU 48 N -1.16 0.04 -2.34 0.11 1.02 -0.48 -4.91 120.64 112.91 1jcn n GLU 48 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1jcn n GLU 48 Cb 0.06 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1jcn n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jcn s VAL 49 N -3.03 3.89 -0.23 2.62 1.01 -0.60 -4.91 120.40 119.15 1jcn s VAL 49 Ca 0.09 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 1jcn s VAL 49 Cb 0.17 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1jcn s VAL 49 CO 0.75 0.06 0.44 -0.62 0.00 0.00 0.00 175.10 175.73 1jcn s ASP 50 N 1.32 6.43 -0.21 3.32 2.15 -0.20 -4.96 116.67 124.52 1jcn s ASP 50 Ca 0.60 0.51 0.15 0.00 0.43 0.00 0.00 52.55 54.24 1jcn s ASP 50 Cb -0.30 -2.25 0.71 0.00 -0.30 0.00 0.00 42.92 40.78 1jcn s ASP 50 CO 0.27 -0.16 1.63 0.18 -0.17 0.00 0.00 175.17 176.92 1jcn n LEU 51 N 4.90 5.03 -4.69 -1.34 4.77 -1.26 -2.66 117.00 121.76 1jcn n LEU 51 Ca -0.07 -2.94 -0.44 0.00 -0.03 0.00 0.00 56.01 52.53 1jcn n LEU 51 Cb 0.51 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1jcn n LEU 51 CO 0.40 0.65 1.14 0.41 -1.33 0.00 0.00 177.39 178.66 1jcn n THR 52 N 0.23 0.68 -3.90 -5.08 -1.04 -1.16 -3.92 114.28 100.09 1jcn n THR 52 Ca 0.25 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.05 61.99 1jcn n THR 52 Cb 1.08 -1.65 -0.12 0.00 -1.82 0.00 0.00 70.33 67.82 1jcn n THR 52 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jcn s SER 53 N 0.55 0.06 -0.17 8.00 0.01 -0.17 -4.78 113.70 117.20 1jcn s SER 53 Ca 0.70 -0.16 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 1jcn s SER 53 Cb -0.61 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1jcn s SER 53 CO 0.45 -0.20 0.75 0.00 0.41 0.00 0.00 173.24 174.65 1jcn s ALA 54 N -0.81 3.50 -0.03 1.44 0.00 -1.26 -0.74 121.76 123.86 1jcn s ALA 54 Ca -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1jcn s ALA 54 Cb -0.05 -3.11 -0.28 0.00 0.00 0.00 0.00 23.12 19.67 1jcn s ALA 54 CO 0.00 -0.55 0.73 1.25 0.00 0.00 0.00 175.76 177.19 1jcn h LEU 55 N 8.09 0.45 0.00 0.00 5.85 -1.15 -3.40 115.31 125.15 1jcn h LEU 55 Ca -0.31 -0.68 -0.20 0.00 0.84 0.00 0.00 57.88 57.53 1jcn h LEU 55 Cb 1.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1jcn h LEU 55 CO 0.81 1.58 -0.07 0.35 -0.34 0.00 0.00 178.44 180.76 1jcn n THR 56 N -3.48 0.00 -0.30 1.05 -2.24 -1.15 -4.82 114.28 103.34 1jcn n THR 56 Ca -0.21 -1.37 0.12 0.00 -2.27 0.00 0.00 64.05 60.32 1jcn n THR 56 Cb 1.06 0.89 0.35 0.00 -2.10 0.00 0.00 70.33 70.53 1jcn n THR 56 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jcn h ARG 57 N 0.00 0.72 -0.01 -0.78 3.08 -1.62 -3.15 114.38 112.63 1jcn h ARG 57 Ca -0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1jcn h ARG 57 Cb 0.99 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1jcn h ARG 57 CO 0.31 0.48 -0.03 1.63 -1.07 0.00 0.00 179.97 181.29 1jcn n LYS 58 N -4.61 0.48 -4.14 0.04 5.02 -1.26 -4.97 118.16 108.72 1jcn n LYS 58 Ca 0.19 -0.79 -0.35 0.00 -2.02 0.00 0.00 58.31 55.35 1jcn n LYS 58 Cb 0.49 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 34.29 1jcn n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jcn s ILE 59 N -0.65 3.65 -0.02 -0.18 -1.09 -1.19 -5.07 121.20 116.65 1jcn s ILE 59 Ca 0.07 -0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.15 1jcn s ILE 59 Cb 0.05 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1jcn s ILE 59 CO 0.10 0.44 -0.25 -0.89 -1.23 0.00 0.00 174.94 173.11 1jcn s THR 60 N 1.01 1.98 0.26 2.92 2.01 -1.26 -0.49 115.64 122.07 1jcn s THR 60 Ca 0.01 -1.07 0.11 0.00 0.31 0.00 0.00 61.69 61.05 1jcn s THR 60 Cb -0.15 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1jcn s THR 60 CO 0.01 0.56 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.54 1jcn s LEU 61 N -0.55 2.57 0.30 4.42 1.43 0.08 -4.94 118.68 121.99 1jcn s LEU 61 Ca 0.09 -1.01 0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1jcn s LEU 61 Cb -0.10 -1.05 0.36 0.00 0.03 0.00 0.00 46.19 45.44 1jcn s LEU 61 CO -0.01 0.02 1.58 0.11 0.23 0.00 0.00 176.35 178.29 1jcn h LYS 62 N 2.42 0.00 -5.68 1.70 1.79 -1.77 -0.44 116.57 114.59 1jcn h LYS 62 Ca -0.40 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.58 1jcn h LYS 62 Cb 1.25 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.76 1jcn h LYS 62 CO 0.59 0.53 -0.73 0.95 -1.08 0.00 0.00 179.45 179.70 1jcn s THR 63 N -3.33 1.87 -0.40 -0.16 -4.23 -0.83 -2.97 115.64 105.59 1jcn s THR 63 Ca 0.01 -2.24 0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1jcn s THR 63 Cb 0.10 -2.13 0.66 0.00 1.34 0.00 0.00 72.50 72.47 1jcn s THR 63 CO 0.73 -0.53 1.51 -0.81 -0.54 0.00 0.00 174.62 174.98 1jcn n PRO 64 N -0.45 4.11 -3.36 3.99 -0.04 -1.25 -4.57 135.00 133.43 1jcn n PRO 64 Ca -0.07 -2.53 -0.38 0.00 -0.04 0.00 0.00 63.50 60.48 1jcn n PRO 64 Cb 0.61 -2.12 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 1jcn n PRO 64 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jcn s LEU 65 N -2.22 4.21 -0.03 1.53 1.43 -1.26 -0.78 118.68 121.56 1jcn s LEU 65 Ca 0.44 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1jcn s LEU 65 Cb 0.33 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1jcn s LEU 65 CO 0.13 -0.05 -0.04 -0.51 0.23 0.00 0.00 176.35 176.11 1jcn s ILE 66 N 1.03 0.47 0.33 -0.59 2.07 -0.55 -2.57 121.20 121.38 1jcn s ILE 66 Ca 0.22 -0.15 -0.24 0.00 -1.41 0.00 0.00 60.65 59.08 1jcn s ILE 66 Cb -0.15 -0.46 -0.10 0.00 0.13 0.00 0.00 42.46 41.88 1jcn s ILE 66 CO 0.08 0.18 0.90 -0.94 -1.91 0.00 0.00 174.94 173.26 1jcn s SER 67 N 0.53 7.19 0.33 4.50 1.04 -0.67 -0.63 113.70 126.00 1jcn s SER 67 Ca -0.07 1.72 -0.26 0.00 0.48 0.00 0.00 55.95 57.82 1jcn s SER 67 Cb -0.10 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.38 1jcn s SER 67 CO -0.00 -0.12 0.97 -0.55 0.98 0.00 0.00 173.24 174.53 1jcn s SER 68 N -1.76 7.23 -1.46 7.02 0.15 0.13 -3.11 113.70 121.89 1jcn s SER 68 Ca 0.52 1.90 -0.10 0.00 0.70 0.00 0.00 55.95 58.97 1jcn s SER 68 Cb -0.16 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.49 1jcn s SER 68 CO 0.21 -0.15 2.71 -0.81 1.20 0.00 0.00 173.24 176.40 1jcn n PRO 69 N 0.48 3.27 -4.49 5.44 -0.04 -1.24 -3.68 135.00 134.73 1jcn n PRO 69 Ca 0.02 -2.09 -0.32 0.00 -0.04 0.00 0.00 63.50 61.08 1jcn n PRO 69 Cb 0.50 -2.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 1jcn n PRO 69 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1jcn s MET 70 N 2.57 2.44 0.00 0.54 -1.94 -1.26 -4.42 119.30 117.23 1jcn s MET 70 Ca 0.62 -0.79 0.11 0.00 -1.71 0.00 0.00 55.69 53.92 1jcn s MET 70 Cb 0.16 -2.43 0.50 0.00 2.01 0.00 0.00 34.83 35.06 1jcn s MET 70 CO -0.05 0.59 1.31 -0.40 -0.01 0.00 0.00 175.02 176.45 1jcn n ASP 71 N 1.51 0.00 -0.97 3.03 5.68 -1.26 -0.98 116.55 123.57 1jcn n ASP 71 Ca -0.15 0.36 0.08 0.00 -0.50 0.00 0.00 54.79 54.57 1jcn n ASP 71 Cb 0.52 -0.42 0.23 0.00 -1.14 0.00 0.00 41.12 40.32 1jcn n ASP 71 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jcn n THR 72 N -1.42 1.26 0.02 2.12 -2.24 -1.26 -4.74 114.28 108.02 1jcn n THR 72 Ca 0.04 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1jcn n THR 72 Cb 0.11 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1jcn n THR 72 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jcn n VAL 73 N 0.76 0.07 -4.00 2.28 0.31 -0.15 -4.48 118.33 113.12 1jcn n VAL 73 Ca 0.18 0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.23 1jcn n VAL 73 Cb 0.59 -0.86 -0.16 0.00 -0.91 0.00 0.00 33.84 32.50 1jcn n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1jcn s THR 74 N -2.00 1.64 0.00 2.52 2.01 -0.68 -4.38 115.64 114.75 1jcn s THR 74 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1jcn s THR 74 Cb 0.00 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.83 1jcn s THR 74 CO 0.00 0.24 0.00 -0.62 -0.69 0.00 0.00 174.62 173.55 1jcn n GLU 75 N 4.70 0.23 -0.28 4.92 1.02 -1.26 -2.92 120.64 127.04 1jcn n GLU 75 Ca -0.15 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.00 1jcn n GLU 75 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.98 1jcn n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jcn h ALA 76 N 1.00 0.44 -0.20 0.62 0.00 -1.95 -1.67 119.26 117.51 1jcn h ALA 76 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1jcn h ALA 76 Cb 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1jcn h ALA 76 CO 0.00 -0.45 -0.28 -0.44 0.00 0.00 0.00 179.25 178.08 1jcn h ASP 77 N -0.02 -0.94 -0.30 0.00 5.19 -1.95 -1.09 116.42 117.31 1jcn h ASP 77 Ca 0.37 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.94 1jcn h ASP 77 Cb 0.59 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 40.45 1jcn h ASP 77 CO -0.83 -0.21 0.08 -0.03 -3.12 0.00 0.00 179.24 175.13 1jcn h MET 78 N -0.21 0.19 -0.64 3.56 -1.53 -1.39 -2.31 114.93 112.60 1jcn h MET 78 Ca 0.04 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.32 1jcn h MET 78 Cb 0.30 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.27 1jcn h MET 78 CO -0.30 0.13 0.38 0.00 0.14 0.00 0.00 176.91 177.26 1jcn h ALA 79 N 1.21 0.84 0.22 0.39 0.00 -1.11 0.42 119.26 121.22 1jcn h ALA 79 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jcn h ALA 79 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jcn h ALA 79 CO -0.16 0.10 -0.10 0.82 0.00 0.00 0.00 179.25 179.90 1jcn h ILE 80 N 0.73 0.84 -0.07 0.00 2.04 -1.03 -0.23 117.51 119.78 1jcn h ILE 80 Ca 0.27 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1jcn h ILE 80 Cb 0.08 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1jcn h ILE 80 CO -0.13 0.07 -0.08 0.00 0.00 0.00 0.00 178.15 178.00 1jcn h ALA 81 N 0.30 -0.03 -0.89 1.87 0.00 -1.16 -0.26 119.26 119.10 1jcn h ALA 81 Ca -0.03 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1jcn h ALA 81 Cb 0.34 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1jcn h ALA 81 CO 0.05 -0.55 0.52 1.98 0.00 0.00 0.00 179.25 181.25 1jcn h MET 82 N -0.11 0.83 -0.11 0.00 -1.53 -0.11 -2.06 114.93 111.84 1jcn h MET 82 Ca 0.06 -0.05 -0.16 0.00 -3.44 0.00 0.00 59.70 56.11 1jcn h MET 82 Cb 0.20 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 1jcn h MET 82 CO -0.14 0.55 -0.62 0.00 0.14 0.00 0.00 176.91 176.84 1jcn h ALA 83 N 1.48 0.73 0.00 0.39 0.00 -0.37 0.41 119.26 121.91 1jcn h ALA 83 Ca 0.43 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jcn h ALA 83 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jcn h ALA 83 CO -0.26 0.72 -0.25 -0.07 0.00 0.00 0.00 179.25 179.40 1jcn h LEU 84 N 0.29 0.00 -2.77 0.00 3.38 -0.40 0.18 115.31 115.99 1jcn h LEU 84 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jcn h LEU 84 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1jcn h LEU 84 CO 0.11 0.25 0.00 0.80 0.09 0.00 0.00 178.44 179.68 1jcn n MET 85 N -3.47 3.27 0.00 1.13 1.56 -0.88 -3.44 117.12 115.29 1jcn n MET 85 Ca -0.00 -2.57 0.00 0.00 -0.27 0.00 0.00 57.70 54.86 1jcn n MET 85 Cb 0.42 -1.77 0.00 0.00 2.15 0.00 0.00 33.22 34.03 1jcn n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1jcn n GLY 86 N 1.20 0.46 0.00 -5.12 0.00 -1.14 -4.83 105.19 95.76 1jcn n GLY 86 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1jcn n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcn n GLY 87 N -1.56 3.84 3.49 -0.02 0.00 0.13 -1.97 105.19 109.10 1jcn n GLY 87 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 1jcn n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jcn s ILE 88 N 3.04 0.00 0.13 -0.61 2.07 -1.06 -3.87 121.20 120.90 1jcn s ILE 88 Ca 0.00 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.33 1jcn s ILE 88 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1jcn s ILE 88 CO 0.00 0.00 -0.22 -0.83 -1.91 0.00 0.00 174.94 171.98 1jcn s GLY 89 N -1.75 1.41 -0.20 1.50 0.00 -1.26 -1.67 107.32 105.35 1jcn s GLY 89 Ca -0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 1jcn s GLY 89 CO 0.01 -1.40 -0.08 -1.36 0.00 0.00 0.00 173.10 170.27 1jcn s PHE 90 N -1.36 2.91 -0.01 1.90 0.40 -1.18 -1.73 117.98 118.90 1jcn s PHE 90 Ca 0.12 -0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 55.21 1jcn s PHE 90 Cb -0.09 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1jcn s PHE 90 CO 0.06 -0.50 1.44 0.42 0.70 0.00 0.00 175.22 177.35 1jcn s ILE 91 N 1.20 3.68 0.90 0.64 -1.09 0.15 -3.66 121.20 123.02 1jcn s ILE 91 Ca 0.02 1.03 -0.10 0.00 -2.23 0.00 0.00 60.65 59.37 1jcn s ILE 91 Cb -0.14 -3.66 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 1jcn s ILE 91 CO -0.03 -0.02 1.13 -1.38 -1.23 0.00 0.00 174.94 173.41 1jcn s HIS 92 N 2.73 1.82 -0.21 3.97 -3.43 -1.15 -1.95 115.29 117.06 1jcn s HIS 92 Ca 0.65 1.70 0.14 0.00 -0.80 0.00 0.00 55.06 56.75 1jcn s HIS 92 Cb -0.32 -3.26 0.51 0.00 -1.43 0.00 0.00 32.58 28.08 1jcn s HIS 92 CO 0.26 -2.66 1.42 -2.39 -2.00 0.00 0.00 174.74 169.38 1jcn n HIS 93 N -4.12 0.94 -2.07 0.38 1.44 -1.26 -4.77 115.22 105.76 1jcn n HIS 93 Ca 0.11 -1.11 -0.41 0.00 -2.01 0.00 0.00 57.72 54.29 1jcn n HIS 93 Cb 0.52 -0.36 -0.00 0.00 0.12 0.00 0.00 29.99 30.27 1jcn n HIS 93 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1jcn n ASN 94 N -0.78 6.62 -3.21 4.39 2.85 -1.26 -4.79 115.26 119.08 1jcn n ASN 94 Ca 0.25 -3.07 -0.01 0.00 -0.11 0.00 0.00 54.58 51.65 1jcn n ASN 94 Cb 0.93 -1.44 0.02 0.00 1.24 0.00 0.00 39.78 40.52 1jcn n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jcn s THR 96 N -2.09 4.43 0.27 0.00 -4.23 -1.26 -4.87 115.64 107.89 1jcn s THR 96 Ca 0.23 0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 61.66 1jcn s THR 96 Cb -0.02 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.41 1jcn s THR 96 CO 0.03 -0.89 1.85 -0.65 -0.54 0.00 0.00 174.62 174.42 1jcn h PRO 97 N 0.06 1.00 -0.33 3.99 0.11 -1.96 -1.72 132.00 133.15 1jcn h PRO 97 Ca -0.45 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1jcn h PRO 97 Cb 1.20 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1jcn h PRO 97 CO 0.60 0.66 0.13 0.93 -0.21 0.00 0.00 178.00 180.12 1jcn h GLU 98 N 1.03 0.50 0.07 1.05 3.07 -1.97 -0.94 114.58 117.40 1jcn h GLU 98 Ca 0.46 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1jcn h GLU 98 Cb 0.35 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1jcn h GLU 98 CO -0.23 0.50 -0.06 0.35 -1.40 0.00 0.00 179.01 178.17 1jcn h PHE 99 N 0.39 -0.15 -0.49 4.33 3.57 -1.81 -0.36 116.94 122.42 1jcn h PHE 99 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1jcn h PHE 99 Cb 0.19 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1jcn h PHE 99 CO -0.00 -0.09 0.30 0.37 -2.23 0.00 0.00 178.31 176.66 1jcn h GLN 100 N -0.14 0.66 -0.80 1.11 4.15 -1.27 -1.77 115.11 117.05 1jcn h GLN 100 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1jcn h GLN 100 Cb 0.13 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1jcn h GLN 100 CO -0.01 0.47 0.53 0.00 -1.93 0.00 0.00 178.83 177.89 1jcn h ALA 101 N 1.15 1.43 -0.05 3.38 0.00 -0.99 -1.60 119.26 122.58 1jcn h ALA 101 Ca 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jcn h ALA 101 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1jcn h ALA 101 CO -0.03 0.53 -0.38 -0.97 0.00 0.00 0.00 179.25 178.39 1jcn h ASN 102 N 1.08 0.11 -0.37 0.00 -1.24 -0.45 -2.04 115.58 112.66 1jcn h ASN 102 Ca 0.29 -0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.14 1jcn h ASN 102 Cb -0.13 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1jcn h ASN 102 CO -0.06 0.49 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.98 1jcn h GLU 103 N 0.09 0.83 -0.13 6.67 4.39 -0.47 -2.53 114.58 123.44 1jcn h GLU 103 Ca 0.01 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.33 1jcn h GLU 103 Cb 0.72 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1jcn h GLU 103 CO 0.05 1.03 0.03 0.28 -1.16 0.00 0.00 179.01 179.24 1jcn h VAL 104 N 0.63 0.95 -0.65 3.13 2.07 -1.18 -2.34 116.25 118.85 1jcn h VAL 104 Ca 0.07 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.70 1jcn h VAL 104 Cb 0.82 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 1jcn h VAL 104 CO 0.07 0.01 0.10 -0.09 0.02 0.00 0.00 177.57 177.69 1jcn h ARG 105 N 0.08 0.21 -0.80 1.57 2.43 -1.27 0.97 114.38 117.57 1jcn h ARG 105 Ca 0.06 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1jcn h ARG 105 Cb 0.05 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1jcn h ARG 105 CO -0.07 0.14 0.51 0.87 -1.51 0.00 0.00 179.97 179.90 1jcn h LYS 106 N 0.22 0.94 -0.33 0.20 1.57 -1.00 -1.17 116.57 117.01 1jcn h LYS 106 Ca 0.35 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1jcn h LYS 106 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1jcn h LYS 106 CO -0.48 0.62 0.05 0.28 -0.57 0.00 0.00 179.45 179.35 1jcn h VAL 107 N 0.97 1.24 0.00 0.50 2.07 -0.39 -2.82 116.25 117.81 1jcn h VAL 107 Ca 0.33 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1jcn h VAL 107 Cb 0.06 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1jcn h VAL 107 CO -0.13 0.28 -0.37 0.11 0.02 0.00 0.00 177.57 177.48 1jcn h LYS 108 N 0.38 0.00 -0.02 1.57 1.79 -0.71 -3.08 116.57 116.50 1jcn h LYS 108 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1jcn h LYS 108 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1jcn h LYS 108 CO 0.01 0.37 -0.06 0.09 -1.08 0.00 0.00 179.45 178.78 1jcn n ASN 109 N -3.92 1.70 -4.76 0.86 5.03 -0.47 -4.47 115.26 109.23 1jcn n ASN 109 Ca -0.02 -1.49 -0.37 0.00 0.87 0.00 0.00 54.58 53.58 1jcn n ASN 109 Cb 0.42 0.04 0.02 0.00 -1.02 0.00 0.00 39.78 39.25 1jcn n ASN 109 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1jcn s PHE 110 N -2.09 2.48 -0.30 3.10 5.36 -1.07 -5.03 117.98 120.43 1jcn s PHE 110 Ca 0.33 1.49 -0.15 0.00 -0.96 0.00 0.00 56.93 57.64 1jcn s PHE 110 Cb 0.20 -3.53 0.16 0.00 -0.34 0.00 0.00 43.02 39.51 1jcn s PHE 110 CO 0.37 -2.21 0.98 -2.00 -1.46 0.00 0.00 175.22 170.90 1jcn s GLU 111 N -3.08 0.32 0.50 10.12 2.56 -1.26 -4.77 118.70 123.08 1jcn s GLU 111 Ca 0.73 0.74 -0.23 0.00 0.00 0.00 0.00 54.97 56.21 1jcn s GLU 111 Cb -0.32 0.39 -0.07 0.00 2.00 0.00 0.00 34.13 36.12 1jcn s GLU 111 CO 0.37 -0.10 1.29 0.00 -0.56 0.00 0.00 175.26 176.26 1jcn n GLN 112 N 4.74 1.75 0.00 4.30 10.64 -1.26 -2.28 117.38 135.27 1jcn n GLN 112 Ca -0.11 0.63 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 1jcn n GLN 112 Cb 0.53 -2.47 0.00 0.00 -0.86 0.00 0.00 30.24 27.45 1jcn n GLN 112 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jcn n GLY 113 N 0.82 1.02 3.44 2.61 0.00 -1.26 -5.04 105.19 106.78 1jcn n GLY 113 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1jcn n GLY 113 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jcn s PHE 114 N -2.27 2.58 -0.08 1.61 0.40 -0.97 -2.26 117.98 117.00 1jcn s PHE 114 Ca 0.00 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1jcn s PHE 114 Cb 0.00 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1jcn s PHE 114 CO 0.00 0.19 1.25 0.42 0.70 0.00 0.00 175.22 177.78 1jcn s ILE 115 N -0.81 4.18 0.14 0.64 1.01 -1.26 -4.79 121.20 120.31 1jcn s ILE 115 Ca 0.13 1.49 -0.27 0.00 0.00 0.00 0.00 60.65 62.01 1jcn s ILE 115 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1jcn s ILE 115 CO 0.03 -0.04 1.60 0.71 0.00 0.00 0.00 174.94 177.24 1jcn h THR 116 N 5.13 0.24 -3.01 2.92 1.35 -1.96 -3.38 112.91 114.21 1jcn h THR 116 Ca -0.33 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 64.95 1jcn h THR 116 Cb 1.15 0.24 -0.40 0.00 -1.73 0.00 0.00 68.15 67.41 1jcn h THR 116 CO 0.91 0.00 -0.77 -1.81 -0.25 0.00 0.00 175.52 173.60 1jcn s ASP 117 N -4.92 3.77 -0.33 5.36 1.01 -1.26 -5.02 116.67 115.28 1jcn s ASP 117 Ca -0.15 -1.85 -0.29 0.00 0.71 0.00 0.00 52.55 50.97 1jcn s ASP 117 Cb 0.10 -0.78 0.02 0.00 1.01 0.00 0.00 42.92 43.27 1jcn s ASP 117 CO 0.66 -0.38 1.07 -2.84 0.21 0.00 0.00 175.17 173.89 1jcn s PRO 118 N 1.37 4.03 -1.12 8.23 0.02 -1.26 -4.95 135.00 141.32 1jcn s PRO 118 Ca 0.12 1.02 -0.23 0.00 0.02 0.00 0.00 61.00 61.92 1jcn s PRO 118 Cb -0.19 -3.75 -0.09 0.00 0.02 0.00 0.00 34.50 30.49 1jcn s PRO 118 CO -0.19 -0.94 1.96 0.08 -0.33 0.00 0.00 177.00 177.59 1jcn s VAL 119 N 3.70 3.48 -0.47 3.83 1.01 -1.26 -4.90 120.40 125.79 1jcn s VAL 119 Ca 0.45 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1jcn s VAL 119 Cb -0.12 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1jcn s VAL 119 CO 0.17 -0.90 1.49 -0.69 0.00 0.00 0.00 175.10 175.17 1jcn s VAL 120 N 11.37 3.78 0.10 2.92 1.01 -1.26 -4.01 120.40 134.31 1jcn s VAL 120 Ca 0.70 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1jcn s VAL 120 Cb -0.02 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1jcn s VAL 120 CO 0.11 -0.87 0.00 -0.11 0.00 0.00 0.00 175.10 174.23 1jcn n LEU 121 N 9.51 0.00 0.00 3.92 7.94 0.44 -4.80 117.00 134.02 1jcn n LEU 121 Ca 0.16 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1jcn n LEU 121 Cb 0.49 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1jcn n LEU 121 CO 0.70 -1.72 0.00 -1.20 -1.11 0.00 0.00 177.39 174.06 1jcn n SER 122 N -3.53 0.00 -0.12 1.96 7.64 -1.26 -4.96 113.62 113.36 1jcn n SER 122 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1jcn n SER 122 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1jcn n SER 122 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1jcn n PRO 123 N -0.04 0.00 -1.29 1.43 -0.02 -1.26 -5.24 135.00 128.57 1jcn n PRO 123 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1jcn n PRO 123 Cb 0.00 -0.28 0.07 0.00 -0.02 0.00 0.00 33.50 33.27 1jcn n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcn n GLY 141 N 0.00 -1.39 3.88 -1.23 0.00 -1.26 -5.30 105.19 99.89 1jcn n GLY 141 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1jcn n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jcn s ILE 142 N -1.88 4.53 0.24 -0.61 -4.36 -1.25 -4.94 121.20 112.93 1jcn s ILE 142 Ca 0.67 0.67 0.04 0.00 -0.26 0.00 0.00 60.65 61.77 1jcn s ILE 142 Cb -0.36 -3.80 -0.03 0.00 1.25 0.00 0.00 42.46 39.52 1jcn s ILE 142 CO 0.57 -1.00 0.38 -2.16 0.24 0.00 0.00 174.94 172.97 1jcn s PRO 143 N -5.12 3.45 0.45 0.37 0.04 -1.26 -2.43 135.00 130.50 1jcn s PRO 143 Ca 0.54 -0.66 0.08 0.00 0.04 0.00 0.00 61.00 60.99 1jcn s PRO 143 Cb -0.11 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1jcn s PRO 143 CO 0.52 0.40 0.45 -1.50 0.04 0.00 0.00 177.00 176.90 1jcn s ILE 144 N -2.00 2.52 -0.34 0.56 1.10 0.42 0.17 121.20 123.63 1jcn s ILE 144 Ca 0.35 -1.29 -0.06 0.00 -0.51 0.00 0.00 60.65 59.15 1jcn s ILE 144 Cb -0.09 -2.81 0.01 0.00 0.15 0.00 0.00 42.46 39.72 1jcn s ILE 144 CO 0.30 0.00 0.40 0.35 -2.11 0.00 0.00 174.94 173.87 1jcn n THR 145 N -1.68 -7.22 0.00 4.00 -2.24 -1.26 -4.18 114.28 101.70 1jcn n THR 145 Ca 0.05 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1jcn n THR 145 Cb 0.62 -5.87 0.00 0.00 -2.10 0.00 0.00 70.33 62.98 1jcn n THR 145 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jcn n GLU 146 N -0.84 0.00 -4.62 -0.78 4.07 -1.26 -4.60 120.64 112.61 1jcn n GLU 146 Ca 0.04 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.81 1jcn n GLU 146 Cb 0.37 -0.78 -0.15 0.00 -0.06 0.00 0.00 31.44 30.83 1jcn n GLU 146 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1jcn s VAL 155 N -0.34 2.71 -1.41 6.31 1.01 -1.26 -4.52 120.40 122.90 1jcn s VAL 155 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1jcn s VAL 155 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1jcn s VAL 155 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1jcn n GLY 156 N 3.92 -1.43 3.51 4.51 0.00 -1.26 -4.75 105.19 109.68 1jcn n GLY 156 Ca -0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1jcn n GLY 156 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jcn s ILE 157 N -2.54 -0.00 -0.96 -0.61 2.07 0.43 -0.44 121.20 119.15 1jcn s ILE 157 Ca 0.00 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.20 1jcn s ILE 157 Cb 0.00 -0.84 0.24 0.00 0.13 0.00 0.00 42.46 41.99 1jcn s ILE 157 CO 0.00 0.00 0.89 -0.69 -1.91 0.00 0.00 174.94 173.23 1jcn s VAL 158 N 0.47 4.95 0.51 4.00 1.01 -1.02 0.21 120.40 130.53 1jcn s VAL 158 Ca -0.01 -3.65 -0.13 0.00 0.00 0.00 0.00 61.98 58.18 1jcn s VAL 158 Cb -0.04 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1jcn s VAL 158 CO -0.01 -1.11 0.93 0.28 0.00 0.00 0.00 175.10 175.19 1jcn s THR 159 N -1.24 4.65 -1.06 3.92 -1.32 -1.26 -3.88 115.64 115.44 1jcn s THR 159 Ca 0.28 0.96 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 1jcn s THR 159 Cb -0.09 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 1jcn s THR 159 CO -0.11 -0.75 0.93 -0.24 -2.21 0.00 0.00 174.62 172.25 1jcn n SER 160 N -1.77 0.00 -0.03 8.08 2.88 -1.26 -1.96 113.62 119.56 1jcn n SER 160 Ca 0.05 0.44 -0.22 0.00 -1.33 0.00 0.00 58.87 57.81 1jcn n SER 160 Cb 0.54 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.43 1jcn n SER 160 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1jcn h ARG 161 N 0.00 0.18 0.00 -1.46 2.43 -1.98 -2.83 114.38 110.72 1jcn h ARG 161 Ca 0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1jcn h ARG 161 Cb 0.03 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1jcn h ARG 161 CO 0.00 1.15 0.00 -3.47 -1.51 0.00 0.00 179.97 176.14 1jcn n ASP 162 N -3.84 0.00 0.00 -3.80 4.64 -0.83 -2.08 116.55 110.64 1jcn n ASP 162 Ca -0.31 -1.60 0.00 0.00 -1.38 0.00 0.00 54.79 51.49 1jcn n ASP 162 Cb 0.91 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.99 1jcn n ASP 162 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jcn n ILE 163 N -0.51 0.00 -1.21 5.18 3.06 -1.17 -4.85 119.36 119.86 1jcn n ILE 163 Ca 0.00 -0.25 0.04 0.00 -2.50 0.00 0.00 62.75 60.05 1jcn n ILE 163 Cb 0.00 0.80 0.21 0.00 0.54 0.00 0.00 39.64 41.20 1jcn n ILE 163 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1jcn n ASP 164 N -0.82 2.99 0.00 9.51 2.03 -0.88 -5.08 116.55 124.29 1jcn n ASP 164 Ca 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.95 1jcn n ASP 164 Cb 0.00 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1jcn n ASP 164 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jcn n PRO 181 N -0.93 0.00 -4.59 -0.67 -0.04 -1.26 -5.07 135.00 122.44 1jcn n PRO 181 Ca 0.25 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1jcn n PRO 181 Cb 0.89 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.26 1jcn n PRO 181 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jcn s ARG 182 N -0.07 1.96 0.04 0.54 3.00 -1.26 -4.79 118.95 118.37 1jcn s ARG 182 Ca 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 55.73 53.55 1jcn s ARG 182 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 34.95 33.87 1jcn s ARG 182 CO 0.00 -0.34 -0.05 0.42 0.00 0.00 0.00 175.30 175.33 1jcn s ILE 183 N -3.07 0.32 -0.67 1.52 1.01 0.13 -4.88 121.20 115.56 1jcn s ILE 183 Ca 0.22 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 59.46 1jcn s ILE 183 Cb 0.04 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1jcn s ILE 183 CO 0.12 -0.54 1.27 -0.70 0.00 0.00 0.00 174.94 175.09 1jcn s GLU 184 N -1.92 3.31 0.23 2.79 2.56 -1.26 0.16 118.70 124.57 1jcn s GLU 184 Ca -0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.97 54.81 1jcn s GLU 184 Cb -0.07 -4.12 -0.06 0.00 2.00 0.00 0.00 34.13 31.88 1jcn s GLU 184 CO -0.02 -1.98 0.51 -1.17 -0.56 0.00 0.00 175.26 172.04 1jcn s LEU 185 N 5.54 4.15 0.06 2.70 0.20 -1.26 -4.93 118.68 125.13 1jcn s LEU 185 Ca 0.40 0.74 -0.15 0.00 0.69 0.00 0.00 54.13 55.80 1jcn s LEU 185 Cb -0.08 -3.52 -0.06 0.00 -0.43 0.00 0.00 46.19 42.10 1jcn s LEU 185 CO 0.20 -0.09 0.47 0.68 -0.29 0.00 0.00 176.35 177.31 1jcn s VAL 186 N -1.89 4.94 0.42 1.68 -7.23 -1.26 -4.80 120.40 112.26 1jcn s VAL 186 Ca 0.44 0.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.52 1jcn s VAL 186 Cb -0.11 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1jcn s VAL 186 CO 0.26 0.47 0.05 0.68 -0.31 0.00 0.00 175.10 176.24 1jcn s VAL 187 N -1.21 1.21 0.09 1.32 -7.23 -1.26 -4.54 120.40 108.78 1jcn s VAL 187 Ca 0.29 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1jcn s VAL 187 Cb -0.17 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1jcn s VAL 187 CO 0.16 0.00 -0.21 0.00 -0.31 0.00 0.00 175.10 174.75 1jcn s ALA 188 N -3.02 1.80 0.33 1.32 0.00 -1.07 -5.00 121.76 116.13 1jcn s ALA 188 Ca 0.23 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1jcn s ALA 188 Cb 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 1jcn s ALA 188 CO 0.12 0.37 1.30 -2.14 0.00 0.00 0.00 175.76 175.41 1jcn s PRO 189 N -1.79 4.34 0.49 0.00 0.02 -1.26 -2.09 135.00 134.71 1jcn s PRO 189 Ca 0.07 2.21 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 1jcn s PRO 189 Cb -0.10 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 1jcn s PRO 189 CO 0.04 -0.19 1.29 0.00 -0.33 0.00 0.00 177.00 177.80 1jcn n ALA 190 N 0.77 1.36 0.00 -1.55 0.00 -0.88 -2.68 120.51 117.53 1jcn n ALA 190 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1jcn n ALA 190 Cb 0.42 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1jcn n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcn n GLY 191 N 0.82 2.62 3.29 0.00 0.00 -1.26 -5.05 105.19 105.60 1jcn n GLY 191 Ca 0.09 -0.57 -0.50 0.00 0.00 0.00 0.00 46.02 45.04 1jcn n GLY 191 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jcn n VAL 192 N 0.00 1.22 -2.20 1.61 3.14 -1.09 -4.95 118.33 116.07 1jcn n VAL 192 Ca 0.00 -0.31 -0.27 0.00 -2.96 0.00 0.00 64.34 60.80 1jcn n VAL 192 Cb 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 33.84 32.95 1jcn n VAL 192 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1jcn s THR 193 N -0.61 2.02 -0.72 1.55 2.01 -1.26 -4.86 115.64 113.77 1jcn s THR 193 Ca 0.71 -0.24 0.25 0.00 0.31 0.00 0.00 61.69 62.71 1jcn s THR 193 Cb -1.01 -2.78 0.25 0.00 0.01 0.00 0.00 72.50 68.97 1jcn s THR 193 CO 0.54 0.00 1.75 0.18 -0.69 0.00 0.00 174.62 176.40 1jcn n LEU 194 N -3.46 0.57 0.03 4.42 7.99 -1.26 -1.01 117.00 124.28 1jcn n LEU 194 Ca 0.16 0.59 -0.19 0.00 -0.01 0.00 0.00 56.01 56.55 1jcn n LEU 194 Cb 0.60 -0.44 -0.14 0.00 -0.11 0.00 0.00 43.42 43.32 1jcn n LEU 194 CO 0.43 -0.28 -0.61 0.50 -1.51 0.00 0.00 177.39 175.92 1jcn h LYS 195 N 0.00 0.27 -0.02 3.23 3.11 -1.95 -1.31 116.57 119.89 1jcn h LYS 195 Ca 0.00 -0.46 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1jcn h LYS 195 Cb 0.54 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1jcn h LYS 195 CO 0.00 1.14 0.00 -1.91 -2.81 0.00 0.00 179.45 175.87 1jcn n GLU 196 N -3.46 1.40 -0.04 1.90 2.13 -1.07 -3.36 120.64 118.14 1jcn n GLU 196 Ca -0.25 -0.58 -0.09 0.00 0.66 0.00 0.00 57.16 56.89 1jcn n GLU 196 Cb 1.06 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 31.27 1jcn n GLU 196 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jcn n ALA 197 N -0.28 2.37 1.25 4.31 0.00 -0.18 -4.03 120.51 123.96 1jcn n ALA 197 Ca 0.20 -0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1jcn n ALA 197 Cb 0.25 0.38 0.16 0.00 0.00 0.00 0.00 19.45 20.24 1jcn n ALA 197 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jcn n ASN 198 N -3.35 0.00 -0.09 0.00 2.85 -0.49 -0.79 115.26 113.39 1jcn n ASN 198 Ca -0.18 -1.08 -0.17 0.00 -0.11 0.00 0.00 54.58 53.05 1jcn n ASN 198 Cb 0.63 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.58 1jcn n ASN 198 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1jcn n GLU 199 N -0.64 0.39 0.07 1.20 2.13 -1.21 -3.86 120.64 118.72 1jcn n GLU 199 Ca 0.04 0.14 0.04 0.00 0.66 0.00 0.00 57.16 58.04 1jcn n GLU 199 Cb 0.02 -1.20 0.45 0.00 0.27 0.00 0.00 31.44 30.98 1jcn n GLU 199 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jcn h ILE 200 N -0.42 1.10 -0.10 6.31 2.04 -1.49 -2.35 117.51 122.60 1jcn h ILE 200 Ca -0.42 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.05 1jcn h ILE 200 Cb 1.45 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1jcn h ILE 200 CO -0.20 0.12 -0.26 -0.07 0.00 0.00 0.00 178.15 177.74 1jcn h LEU 201 N 0.38 0.41 -2.35 1.44 3.38 -1.17 -3.03 115.31 114.36 1jcn h LEU 201 Ca 0.10 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1jcn h LEU 201 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jcn h LEU 201 CO -0.01 0.92 -0.03 -0.61 0.09 0.00 0.00 178.44 178.80 1jcn h GLN 202 N -0.08 0.00 0.35 1.13 4.15 -1.58 -0.62 115.11 118.46 1jcn h GLN 202 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1jcn h GLN 202 Cb 0.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1jcn h GLN 202 CO 0.06 0.03 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.73 1jcn h ARG 203 N 0.00 -0.45 -0.08 1.69 2.43 -1.38 -3.27 114.38 113.32 1jcn h ARG 203 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1jcn h ARG 203 Cb 0.08 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1jcn h ARG 203 CO 0.00 -0.17 0.00 0.43 -1.51 0.00 0.00 179.97 178.72 1jcn n SER 204 N -5.10 0.49 -3.46 -3.80 7.64 -1.07 -4.94 113.62 103.38 1jcn n SER 204 Ca -0.08 -1.87 -0.14 0.00 1.01 0.00 0.00 58.87 57.79 1jcn n SER 204 Cb 0.25 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1jcn n SER 204 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jcn n LYS 205 N -0.29 -1.42 -4.29 1.43 4.01 -0.28 -5.02 118.16 112.30 1jcn n LYS 205 Ca 0.06 1.06 -0.17 0.00 -0.51 0.00 0.00 58.31 58.76 1jcn n LYS 205 Cb 0.09 -3.94 -0.09 0.00 -0.51 0.00 0.00 35.03 30.58 1jcn n LYS 205 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1jcn s LYS 206 N -4.16 1.49 -0.13 1.97 1.02 -0.98 -5.05 119.74 113.91 1jcn s LYS 206 Ca 0.03 -1.83 -0.07 0.00 0.02 0.00 0.00 55.97 54.12 1jcn s LYS 206 Cb -0.01 0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1jcn s LYS 206 CO 0.83 -0.44 -0.17 0.41 -0.92 0.00 0.00 175.35 175.06 1jcn n GLY 207 N -0.49 -0.22 3.92 -3.33 0.00 -1.26 -4.72 105.19 99.09 1jcn n GLY 207 Ca 0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1jcn n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jcn s LYS 208 N -2.26 3.51 -0.43 1.61 1.02 -1.26 -3.30 119.74 118.63 1jcn s LYS 208 Ca -0.18 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1jcn s LYS 208 Cb 0.07 -2.95 0.14 0.00 -0.52 0.00 0.00 37.83 34.57 1jcn s LYS 208 CO 0.23 0.53 0.25 -1.17 -0.92 0.00 0.00 175.35 174.27 1jcn s LEU 209 N -2.74 2.41 0.06 3.17 0.20 -0.99 -4.99 118.68 115.81 1jcn s LEU 209 Ca 0.37 -2.62 -0.35 0.00 0.69 0.00 0.00 54.13 52.22 1jcn s LEU 209 Cb -0.12 -0.92 -0.14 0.00 -0.43 0.00 0.00 46.19 44.58 1jcn s LEU 209 CO 0.27 -0.26 1.59 -2.65 -0.29 0.00 0.00 176.35 175.01 1jcn n PRO 210 N 3.53 1.84 -4.33 0.98 -0.02 -1.26 -4.04 135.00 131.70 1jcn n PRO 210 Ca 0.11 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 1jcn n PRO 210 Cb 0.36 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 1jcn n PRO 210 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jcn s ILE 211 N 1.60 4.40 0.14 4.25 1.01 -1.26 -2.59 121.20 128.74 1jcn s ILE 211 Ca 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1jcn s ILE 211 Cb -0.78 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1jcn s ILE 211 CO 0.45 0.60 0.08 -0.69 0.00 0.00 0.00 174.94 175.37 1jcn s VAL 212 N -0.80 0.08 0.00 2.92 1.01 -0.89 -2.59 120.40 120.14 1jcn s VAL 212 Ca 0.12 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1jcn s VAL 212 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1jcn s VAL 212 CO 0.02 -0.39 0.00 -0.46 0.00 0.00 0.00 175.10 174.28 1jcn n ASN 213 N -0.13 0.00 -1.14 3.32 2.04 -1.26 -2.08 115.26 116.01 1jcn n ASN 213 Ca -0.04 0.00 0.05 0.00 -0.44 0.00 0.00 54.58 54.14 1jcn n ASN 213 Cb 0.64 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.98 1jcn n ASN 213 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jcn n ASP 214 N -0.97 1.25 0.00 0.53 3.85 -1.26 -4.99 116.55 114.96 1jcn n ASP 214 Ca 0.00 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.39 1jcn n ASP 214 Cb 0.00 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.39 1jcn n ASP 214 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jcn s ASP 216 N -2.98 5.02 -0.45 0.00 3.84 -1.26 -4.96 116.67 115.89 1jcn s ASP 216 Ca 0.00 -0.55 -0.19 0.00 -0.00 0.00 0.00 52.55 51.82 1jcn s ASP 216 Cb 0.00 -0.98 0.03 0.00 -1.38 0.00 0.00 42.92 40.59 1jcn s ASP 216 CO 0.00 -0.19 0.54 -1.61 -0.00 0.00 0.00 175.17 173.91 1jcn s GLU 217 N -3.85 3.14 0.05 2.11 0.41 -1.26 -4.37 118.70 114.92 1jcn s GLU 217 Ca 0.36 -0.73 -0.09 0.00 -0.41 0.00 0.00 54.97 54.10 1jcn s GLU 217 Cb -0.05 -4.01 -0.31 0.00 -1.78 0.00 0.00 34.13 27.98 1jcn s GLU 217 CO 0.24 -1.00 1.04 -0.07 -0.49 0.00 0.00 175.26 174.98 1jcn h LEU 218 N 9.37 0.60 0.00 1.80 3.38 -1.90 -3.50 115.31 125.06 1jcn h LEU 218 Ca -0.26 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1jcn h LEU 218 Cb 1.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jcn h LEU 218 CO 0.87 1.53 0.00 0.55 0.09 0.00 0.00 178.44 181.48 1jcn n VAL 219 N -3.60 0.00 0.00 1.22 3.14 -1.26 -5.01 118.33 112.82 1jcn n VAL 219 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1jcn n VAL 219 Cb 1.06 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 1jcn n VAL 219 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1jcn n ARG 224 N 0.00 0.00 -3.22 1.45 5.12 -1.24 -4.43 116.66 114.34 1jcn n ARG 224 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1jcn n ARG 224 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1jcn n ARG 224 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1jcn n THR 225 N 0.68 0.00 -1.76 0.55 -1.04 -0.96 -2.33 114.28 109.42 1jcn n THR 225 Ca 0.00 -1.30 -0.41 0.00 -2.04 0.00 0.00 64.05 60.30 1jcn n THR 225 Cb 0.00 0.72 -0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1jcn n THR 225 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1jcn n ASP 226 N -2.00 3.51 -3.16 8.00 2.03 -1.21 -4.95 116.55 118.78 1jcn n ASP 226 Ca 0.03 1.21 0.05 0.00 0.52 0.00 0.00 54.79 56.60 1jcn n ASP 226 Cb 0.37 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.15 1jcn n ASP 226 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1jcn s LEU 227 N -1.87 -0.03 -0.04 -2.67 0.05 -1.26 -4.96 118.68 107.90 1jcn s LEU 227 Ca 0.54 0.03 0.16 0.00 0.05 0.00 0.00 54.13 54.91 1jcn s LEU 227 Cb -0.49 1.03 0.29 0.00 -2.05 0.00 0.00 46.19 44.96 1jcn s LEU 227 CO 0.63 -0.01 1.12 1.17 -0.55 0.00 0.00 176.35 178.72 1jcn n LYS 228 N 5.05 0.31 0.00 1.48 3.00 -1.26 -4.79 118.16 121.94 1jcn n LYS 228 Ca -0.08 -1.91 0.00 0.00 -0.00 0.00 0.00 58.31 56.32 1jcn n LYS 228 Cb 0.55 -0.48 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1jcn n LYS 228 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1jcn n LYS 229 N -0.02 0.00 -1.41 1.64 2.85 -1.26 -5.15 118.16 114.80 1jcn n LYS 229 Ca 0.07 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.92 1jcn n LYS 229 Cb 0.91 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.31 1jcn n LYS 229 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jcn n ASN 230 N 0.00 -1.48 -4.90 -5.58 6.94 -1.26 -4.96 115.26 104.02 1jcn n ASN 230 Ca 0.00 0.83 -0.28 0.00 -0.02 0.00 0.00 54.58 55.11 1jcn n ASN 230 Cb 0.00 -1.07 0.01 0.00 -2.36 0.00 0.00 39.78 36.36 1jcn n ASN 230 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1jcn s ARG 231 N -1.57 3.39 -0.03 -3.83 3.00 -1.26 -5.09 118.95 113.56 1jcn s ARG 231 Ca 0.63 0.25 0.05 0.00 0.00 0.00 0.00 55.73 56.66 1jcn s ARG 231 Cb -0.55 -2.30 -0.03 0.00 0.00 0.00 0.00 34.95 32.07 1jcn s ARG 231 CO 0.59 -0.40 -0.17 0.34 0.00 0.00 0.00 175.30 175.66 1jcn s ASP 232 N -4.17 3.84 -0.51 0.23 2.15 -1.26 -5.09 116.67 111.85 1jcn s ASP 232 Ca 0.50 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.25 1jcn s ASP 232 Cb -0.10 -0.74 0.14 0.00 -0.30 0.00 0.00 42.92 41.92 1jcn s ASP 232 CO 0.47 0.33 0.30 -0.31 -0.17 0.00 0.00 175.17 175.79 1jcn s TYR 233 N -0.73 2.59 0.19 -5.34 1.51 -1.26 -4.96 117.35 109.35 1jcn s TYR 233 Ca 0.12 -2.83 0.33 0.00 -1.01 0.00 0.00 57.07 53.68 1jcn s TYR 233 Cb -0.10 -2.26 1.42 0.00 -0.11 0.00 0.00 41.96 40.91 1jcn s TYR 233 CO 0.01 -0.73 2.01 -1.35 -1.11 0.00 0.00 175.55 174.38 1jcn h PRO 234 N 6.31 0.00 -0.02 -1.71 0.11 -1.99 -3.08 132.00 131.62 1jcn h PRO 234 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1jcn h PRO 234 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1jcn h PRO 234 CO 0.58 0.04 -0.38 1.28 -0.21 0.00 0.00 178.00 179.31 1jcn n LEU 235 N -3.17 2.14 -4.36 2.35 4.77 -1.26 -5.03 117.00 112.44 1jcn n LEU 235 Ca -0.00 -0.80 -0.56 0.00 -0.03 0.00 0.00 56.01 54.62 1jcn n LEU 235 Cb 0.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1jcn n LEU 235 CO 0.27 0.39 0.49 0.00 -1.33 0.00 0.00 177.39 177.22 1jcn n ALA 236 N 0.19 -3.49 -2.56 -1.18 0.00 -1.17 -3.40 120.51 108.91 1jcn n ALA 236 Ca 0.10 0.57 -0.43 0.00 0.00 0.00 0.00 53.44 53.68 1jcn n ALA 236 Cb 0.47 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 1jcn n ALA 236 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jcn s SER 237 N -0.10 6.46 0.10 0.00 0.01 0.61 -4.87 113.70 115.90 1jcn s SER 237 Ca 0.86 0.06 0.05 0.00 1.31 0.00 0.00 55.95 58.22 1jcn s SER 237 Cb -1.20 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 62.61 1jcn s SER 237 CO 0.55 -0.85 -0.12 -0.54 0.41 0.00 0.00 173.24 172.70 1jcn s LYS 238 N 3.22 0.88 0.78 12.44 1.02 -1.26 -1.45 119.74 135.37 1jcn s LYS 238 Ca 0.30 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.13 1jcn s LYS 238 Cb -0.12 -0.69 0.16 0.00 -0.52 0.00 0.00 37.83 36.66 1jcn s LYS 238 CO 0.21 0.13 1.07 -0.40 -0.92 0.00 0.00 175.35 175.43 1jcn n ASP 239 N 0.74 1.00 0.21 2.83 5.68 0.93 -4.82 116.55 123.12 1jcn n ASP 239 Ca -0.17 -1.95 0.17 0.00 -0.50 0.00 0.00 54.79 52.34 1jcn n ASP 239 Cb 0.57 -0.73 0.75 0.00 -1.14 0.00 0.00 41.12 40.56 1jcn n ASP 239 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1jcn h SER 240 N -0.89 0.00 -0.68 -1.12 0.87 -2.02 0.15 113.55 109.86 1jcn h SER 240 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1jcn h SER 240 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1jcn h SER 240 CO 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.64 1jcn n GLN 241 N -3.26 2.61 -1.11 2.24 6.02 -1.26 -4.94 117.38 117.69 1jcn n GLN 241 Ca 0.03 -2.51 -0.04 0.00 -0.01 0.00 0.00 57.00 54.47 1jcn n GLN 241 Cb 0.54 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 1jcn n GLN 241 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jcn n LYS 242 N 1.55 -0.40 -3.65 -1.09 5.02 0.52 -5.04 118.16 115.07 1jcn n LYS 242 Ca 0.23 0.53 -0.31 0.00 -2.02 0.00 0.00 58.31 56.75 1jcn n LYS 242 Cb 0.59 -4.15 -0.04 0.00 -0.02 0.00 0.00 35.03 31.40 1jcn n LYS 242 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jcn s GLN 243 N -1.90 3.61 0.46 1.97 -0.21 -1.26 -4.80 119.66 117.52 1jcn s GLN 243 Ca 0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.02 1jcn s GLN 243 Cb 0.00 -2.83 -0.07 0.00 1.00 0.00 0.00 33.01 31.11 1jcn s GLN 243 CO 0.00 0.43 1.32 -0.51 -2.12 0.00 0.00 175.29 174.41 1jcn s LEU 244 N -2.84 4.06 0.36 2.90 1.43 -1.26 -0.05 118.68 123.30 1jcn s LEU 244 Ca 0.41 2.67 -0.24 0.00 -1.03 0.00 0.00 54.13 55.94 1jcn s LEU 244 Cb -0.12 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 41.94 1jcn s LEU 244 CO 0.26 -1.11 0.96 -0.76 0.23 0.00 0.00 176.35 175.93 1jcn s LEU 245 N -2.88 4.20 -0.00 1.79 1.43 -0.53 -4.55 118.68 118.14 1jcn s LEU 245 Ca 0.63 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1jcn s LEU 245 Cb -0.38 -4.18 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 1jcn s LEU 245 CO 0.48 -0.21 0.04 0.00 0.23 0.00 0.00 176.35 176.88 1jcn s GLY 247 N -0.70 1.97 -0.12 0.00 0.00 -0.71 -1.78 107.32 105.98 1jcn s GLY 247 Ca -0.08 -1.95 -0.20 0.00 0.00 0.00 0.00 44.72 42.50 1jcn s GLY 247 CO -0.00 -1.96 0.49 0.00 0.00 0.00 0.00 173.10 171.63 1jcn s ALA 248 N -2.64 -1.24 0.10 3.20 0.00 -0.82 -0.68 121.76 119.67 1jcn s ALA 248 Ca 0.30 1.14 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 1jcn s ALA 248 Cb -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1jcn s ALA 248 CO 0.15 -0.27 0.36 0.00 0.00 0.00 0.00 175.76 175.99 1jcn s ALA 249 N -0.41 3.79 0.04 0.00 0.00 -0.82 -1.57 121.76 122.80 1jcn s ALA 249 Ca -0.05 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1jcn s ALA 249 Cb -0.03 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1jcn s ALA 249 CO 0.03 0.65 0.27 0.14 0.00 0.00 0.00 175.76 176.86 1jcn s VAL 250 N -1.54 0.09 0.00 0.00 -7.23 -0.78 -4.40 120.40 106.54 1jcn s VAL 250 Ca 0.37 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1jcn s VAL 250 Cb -0.13 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.88 1jcn s VAL 250 CO 0.22 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1jcn n GLY 251 N 0.59 -0.84 0.67 2.32 0.00 -1.26 -1.39 105.19 105.29 1jcn n GLY 251 Ca -0.19 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.22 1jcn n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jcn n THR 252 N -0.96 1.04 -3.78 2.61 -2.24 -1.26 -4.80 114.28 104.90 1jcn n THR 252 Ca 0.00 -1.66 -0.26 0.00 -2.27 0.00 0.00 64.05 59.86 1jcn n THR 252 Cb 0.00 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1jcn n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jcn s ARG 253 N -1.55 3.48 0.28 -0.78 1.04 -1.26 -4.72 118.95 115.44 1jcn s ARG 253 Ca 0.26 -0.47 -0.01 0.00 -1.04 0.00 0.00 55.73 54.48 1jcn s ARG 253 Cb 0.26 -2.87 0.65 0.00 -2.04 0.00 0.00 34.95 30.96 1jcn s ARG 253 CO -0.05 0.42 1.62 0.93 -0.04 0.00 0.00 175.30 178.17 1jcn h GLU 254 N 1.80 0.12 -0.76 3.89 4.39 -1.99 0.59 114.58 122.63 1jcn h GLU 254 Ca -0.49 -0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.42 1jcn h GLU 254 Cb 1.20 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1jcn h GLU 254 CO 0.67 0.08 0.60 -0.44 -1.16 0.00 0.00 179.01 178.76 1jcn h ASP 255 N 0.12 0.00 0.97 1.42 5.19 -2.01 0.10 116.42 122.23 1jcn h ASP 255 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1jcn h ASP 255 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1jcn h ASP 255 CO -0.73 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 175.86 1jcn n ASP 256 N -4.08 0.65 0.09 6.45 8.00 0.21 -3.22 116.55 124.64 1jcn n ASP 256 Ca 0.15 0.62 0.02 0.00 0.71 0.00 0.00 54.79 56.30 1jcn n ASP 256 Cb 0.88 -0.77 0.39 0.00 -0.02 0.00 0.00 41.12 41.60 1jcn n ASP 256 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1jcn h LYS 257 N 0.00 0.33 -0.37 -1.24 1.57 -0.86 -0.52 116.57 115.47 1jcn h LYS 257 Ca 0.00 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1jcn h LYS 257 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1jcn h LYS 257 CO 0.00 0.38 -0.38 -0.92 -0.57 0.00 0.00 179.45 177.96 1jcn h TYR 258 N 0.32 1.10 -0.46 -1.35 3.20 -1.73 -2.43 116.97 115.61 1jcn h TYR 258 Ca 0.07 -0.33 -0.12 0.00 3.14 0.00 0.00 58.73 61.49 1jcn h TYR 258 Cb 0.27 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1jcn h TYR 258 CO 0.01 1.16 -0.19 -0.09 -1.64 0.00 0.00 178.16 177.41 1jcn h ARG 259 N 0.73 0.92 -0.75 1.82 2.43 -1.58 -2.68 114.38 115.27 1jcn h ARG 259 Ca 0.06 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1jcn h ARG 259 Cb 0.98 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 1jcn h ARG 259 CO 0.09 1.02 0.37 1.25 -1.51 0.00 0.00 179.97 181.20 1jcn h LEU 260 N 0.80 0.95 -0.67 3.80 5.85 -1.05 -1.86 115.31 123.13 1jcn h LEU 260 Ca 0.11 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1jcn h LEU 260 Cb 0.74 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1jcn h LEU 260 CO 0.06 0.79 0.24 -0.78 -0.34 0.00 0.00 178.44 178.41 1jcn h ASP 261 N 1.05 0.95 -0.38 1.25 -0.00 -1.18 -0.97 116.42 117.14 1jcn h ASP 261 Ca 0.26 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.03 57.02 1jcn h ASP 261 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.15 1jcn h ASP 261 CO -0.04 0.88 -0.10 -0.07 -0.00 0.00 0.00 179.24 179.91 1jcn h LEU 262 N 0.96 0.74 -0.79 2.28 3.38 -1.14 -1.52 115.31 119.22 1jcn h LEU 262 Ca 0.22 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1jcn h LEU 262 Cb 0.25 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1jcn h LEU 262 CO -0.01 0.94 0.37 -0.07 0.09 0.00 0.00 178.44 179.76 1jcn h LEU 263 N 0.54 1.05 -0.63 1.67 3.38 -1.19 0.60 115.31 120.73 1jcn h LEU 263 Ca 0.09 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1jcn h LEU 263 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1jcn h LEU 263 CO 0.04 0.90 -0.26 0.00 0.09 0.00 0.00 178.44 179.21 1jcn h THR 264 N 1.13 1.27 -0.10 0.22 1.03 -1.08 -1.81 112.91 113.58 1jcn h THR 264 Ca 0.27 -1.39 -0.10 0.00 -0.01 0.00 0.00 66.41 65.18 1jcn h THR 264 Cb 0.14 1.25 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 1jcn h THR 264 CO -0.03 0.46 -0.39 1.56 -0.01 0.00 0.00 175.52 177.11 1jcn h GLN 265 N 0.68 0.21 0.00 0.00 4.20 -0.88 -1.39 115.11 117.93 1jcn h GLN 265 Ca 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jcn h GLN 265 Cb 0.79 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1jcn h GLN 265 CO 0.06 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 1jcn n ALA 266 N -2.47 2.11 -1.85 3.87 0.00 0.17 -4.89 120.51 117.45 1jcn n ALA 266 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1jcn n ALA 266 Cb 0.46 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1jcn n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcn n GLY 267 N 0.44 0.86 3.77 0.00 0.00 -0.52 -4.42 105.19 105.31 1jcn n GLY 267 Ca 0.11 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1jcn n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jcn s VAL 268 N -2.49 3.27 -0.17 1.61 0.11 -0.73 -4.86 120.40 117.14 1jcn s VAL 268 Ca 0.00 1.00 0.03 0.00 -2.93 0.00 0.00 61.98 60.08 1jcn s VAL 268 Cb 0.00 -3.53 -0.22 0.00 -1.53 0.00 0.00 36.38 31.10 1jcn s VAL 268 CO 0.00 0.03 0.14 0.47 -3.33 0.00 0.00 175.10 172.41 1jcn n ASP 269 N -0.17 1.55 -4.11 3.54 8.00 -0.73 -4.87 116.55 119.76 1jcn n ASP 269 Ca 0.06 0.07 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 1jcn n ASP 269 Cb 0.48 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1jcn n ASP 269 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jcn s VAL 270 N -2.54 0.94 -0.08 2.53 1.01 -1.11 -2.64 120.40 118.51 1jcn s VAL 270 Ca -0.23 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1jcn s VAL 270 Cb 0.08 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1jcn s VAL 270 CO 0.72 -0.03 -0.14 -0.63 0.00 0.00 0.00 175.10 175.02 1jcn s ILE 271 N -0.82 1.32 -0.18 2.22 -1.09 -0.54 -1.95 121.20 120.16 1jcn s ILE 271 Ca 0.00 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1jcn s ILE 271 Cb -0.07 -1.20 -0.01 0.00 -1.58 0.00 0.00 42.46 39.60 1jcn s ILE 271 CO 0.01 0.40 -0.08 0.54 -1.23 0.00 0.00 174.94 174.58 1jcn s VAL 272 N 0.67 3.31 -0.73 2.92 0.11 -0.61 -1.06 120.40 125.02 1jcn s VAL 272 Ca -0.14 -0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 58.10 1jcn s VAL 272 Cb -0.16 -2.45 0.03 0.00 -1.53 0.00 0.00 36.38 32.27 1jcn s VAL 272 CO 0.04 0.48 1.24 -0.76 -3.33 0.00 0.00 175.10 172.76 1jcn s LEU 273 N 0.87 3.31 -0.24 2.54 1.43 -0.86 -1.87 118.68 123.86 1jcn s LEU 273 Ca -0.02 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1jcn s LEU 273 Cb -0.15 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1jcn s LEU 273 CO 0.01 -1.78 1.75 -0.62 0.23 0.00 0.00 176.35 175.94 1jcn s ASP 274 N 3.71 6.13 -0.07 2.29 2.15 -0.48 -3.14 116.67 127.24 1jcn s ASP 274 Ca 0.34 1.59 -0.30 0.00 0.43 0.00 0.00 52.55 54.60 1jcn s ASP 274 Cb -0.09 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.07 1jcn s ASP 274 CO 0.15 -1.47 0.69 -0.55 -0.17 0.00 0.00 175.17 173.82 1jcn s SER 275 N 5.27 -0.66 0.39 -0.34 0.15 -1.26 -4.70 113.70 112.54 1jcn s SER 275 Ca 0.78 0.78 0.23 0.00 0.70 0.00 0.00 55.95 58.44 1jcn s SER 275 Cb -0.26 0.62 0.40 0.00 -1.71 0.00 0.00 66.02 65.06 1jcn s SER 275 CO 0.32 -0.57 1.61 0.77 1.20 0.00 0.00 173.24 176.57 1jcn h SER 276 N 3.16 0.00 -1.85 5.45 4.64 -1.94 -3.11 113.55 119.91 1jcn h SER 276 Ca -0.27 -0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.69 1jcn h SER 276 Cb 1.14 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 1jcn h SER 276 CO 0.36 0.00 -0.68 -1.58 -0.87 0.00 0.00 176.83 174.05 1jcn s GLN 277 N -3.20 0.72 0.00 4.77 -0.44 -1.26 -4.77 119.66 115.48 1jcn s GLN 277 Ca 0.07 -0.97 0.18 0.00 -2.50 0.00 0.00 55.36 52.14 1jcn s GLN 277 Cb 0.06 -0.69 0.85 0.00 -1.64 0.00 0.00 33.01 31.59 1jcn s GLN 277 CO 0.66 -1.23 1.56 0.41 0.50 0.00 0.00 175.29 177.20 1jcn n GLY 278 N 4.00 -1.00 2.99 2.59 0.00 0.20 -4.46 105.19 109.51 1jcn n GLY 278 Ca 0.14 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1jcn n GLY 278 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jcn n ASN 279 N -1.39 4.43 -4.10 1.61 5.15 -1.26 -4.67 115.26 115.04 1jcn n ASN 279 Ca 0.07 -2.92 -0.10 0.00 -0.60 0.00 0.00 54.58 51.02 1jcn n ASN 279 Cb 0.18 -1.64 -0.11 0.00 -0.53 0.00 0.00 39.78 37.69 1jcn n ASN 279 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1jcn s SER 280 N 2.91 0.78 0.51 1.20 1.04 -1.26 -5.02 113.70 113.86 1jcn s SER 280 Ca 0.47 -0.81 0.16 0.00 0.48 0.00 0.00 55.95 56.24 1jcn s SER 280 Cb 0.10 0.11 1.25 0.00 0.10 0.00 0.00 66.02 67.57 1jcn s SER 280 CO -0.03 -0.41 2.14 1.62 0.98 0.00 0.00 173.24 177.54 1jcn h VAL 281 N 3.65 1.01 0.02 5.02 3.04 -1.99 -0.59 116.25 126.41 1jcn h VAL 281 Ca -0.35 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1jcn h VAL 281 Cb 1.18 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1jcn h VAL 281 CO 0.55 0.01 -0.01 1.88 -1.01 0.00 0.00 177.57 179.00 1jcn h TYR 282 N 0.00 -0.03 -0.44 3.17 0.05 -1.95 -0.87 116.97 116.91 1jcn h TYR 282 Ca -0.00 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1jcn h TYR 282 Cb 0.03 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1jcn h TYR 282 CO 0.00 0.27 -0.10 0.37 -1.05 0.00 0.00 178.16 177.66 1jcn h GLN 283 N -0.33 0.84 -0.47 4.88 4.15 -1.72 -1.69 115.11 120.77 1jcn h GLN 283 Ca -0.00 -0.32 0.04 0.00 0.77 0.00 0.00 58.65 59.14 1jcn h GLN 283 Cb 0.31 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1jcn h GLN 283 CO 0.01 0.95 0.22 0.82 -1.93 0.00 0.00 178.83 178.90 1jcn h ILE 284 N 0.67 0.94 -0.26 2.39 2.04 -1.11 0.22 117.51 122.40 1jcn h ILE 284 Ca 0.11 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1jcn h ILE 284 Cb 0.63 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1jcn h ILE 284 CO 0.04 0.08 -0.19 0.00 0.00 0.00 0.00 178.15 178.08 1jcn h ALA 285 N 1.26 1.18 -0.19 1.87 0.00 -1.02 -1.11 119.26 121.25 1jcn h ALA 285 Ca 0.21 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1jcn h ALA 285 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jcn h ALA 285 CO -0.16 0.52 -0.36 1.98 0.00 0.00 0.00 179.25 181.23 1jcn h MET 286 N 0.43 0.40 -0.20 0.00 1.85 -0.32 -1.31 114.93 115.77 1jcn h MET 286 Ca 0.07 -0.18 -0.05 0.00 -0.61 0.00 0.00 59.70 58.93 1jcn h MET 286 Cb 0.58 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1jcn h MET 286 CO 0.04 0.71 -0.07 0.28 -0.40 0.00 0.00 176.91 177.47 1jcn h VAL 287 N 0.34 1.30 -0.45 -5.77 2.07 0.02 -2.05 116.25 111.71 1jcn h VAL 287 Ca 0.04 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1jcn h VAL 287 Cb 0.79 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1jcn h VAL 287 CO 0.06 0.33 0.20 0.45 0.02 0.00 0.00 177.57 178.63 1jcn h HIS 288 N 0.11 0.36 0.53 1.57 3.86 -1.06 -1.17 115.15 119.36 1jcn h HIS 288 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1jcn h HIS 288 Cb 0.53 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1jcn h HIS 288 CO 0.06 0.16 -0.43 -0.92 0.86 0.00 0.00 177.93 177.66 1jcn h TYR 289 N 0.40 -1.15 -0.23 2.45 3.20 -1.16 -1.92 116.97 118.56 1jcn h TYR 289 Ca 0.20 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1jcn h TYR 289 Cb 0.15 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1jcn h TYR 289 CO -0.12 -0.61 0.00 0.82 -1.64 0.00 0.00 178.16 176.61 1jcn h ILE 290 N -0.94 0.84 -0.27 1.81 2.04 -1.25 0.23 117.51 119.96 1jcn h ILE 290 Ca -0.06 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.85 1jcn h ILE 290 Cb 0.80 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jcn h ILE 290 CO -0.00 0.01 0.26 0.50 0.00 0.00 0.00 178.15 178.93 1jcn h LYS 291 N 0.08 0.00 0.00 2.37 1.63 -1.15 0.33 116.57 119.83 1jcn h LYS 291 Ca 0.11 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.75 1jcn h LYS 291 Cb 0.14 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1jcn h LYS 291 CO -0.18 0.00 -0.86 0.37 -3.45 0.00 0.00 179.45 175.32 1jcn h GLN 292 N 0.00 0.01 0.00 1.90 5.75 -0.31 -3.38 115.11 119.08 1jcn h GLN 292 Ca 0.13 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1jcn h GLN 292 Cb 0.66 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1jcn h GLN 292 CO -0.00 1.01 -0.64 -0.22 -2.65 0.00 0.00 178.83 176.32 1jcn h LYS 293 N -0.98 0.00 -2.08 1.69 3.64 -0.25 -3.40 116.57 115.19 1jcn h LYS 293 Ca -0.24 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.58 1jcn h LYS 293 Cb 1.22 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 1jcn h LYS 293 CO -0.14 0.11 -0.91 0.66 -2.27 0.00 0.00 179.45 176.90 1jcn n TYR 294 N -2.93 1.32 -0.24 1.91 4.01 0.11 -4.97 117.16 116.37 1jcn n TYR 294 Ca 0.00 -3.81 0.32 0.00 -0.16 0.00 0.00 57.90 54.25 1jcn n TYR 294 Cb 0.61 -0.44 0.74 0.00 -0.31 0.00 0.00 39.34 39.94 1jcn n TYR 294 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jcn h PRO 295 N 3.91 0.00 -0.31 -0.72 0.11 -1.73 -0.59 132.00 132.67 1jcn h PRO 295 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1jcn h PRO 295 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1jcn h PRO 295 CO 0.61 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.12 1jcn n HIS 296 N -4.18 0.40 -3.90 0.65 8.25 -1.26 -4.87 115.22 110.31 1jcn n HIS 296 Ca 0.22 -0.20 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 1jcn n HIS 296 Cb 1.11 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.12 1jcn n HIS 296 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1jcn s LEU 297 N -1.36 3.91 0.15 2.41 2.96 -0.23 -5.00 118.68 121.52 1jcn s LEU 297 Ca 0.33 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 54.12 1jcn s LEU 297 Cb 0.18 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.79 1jcn s LEU 297 CO 0.25 0.15 0.70 -1.10 -1.32 0.00 0.00 176.35 175.04 1jcn s GLN 298 N 0.50 4.39 -0.12 1.98 -1.52 -1.08 -4.91 119.66 118.88 1jcn s GLN 298 Ca 0.05 0.96 0.02 0.00 -1.95 0.00 0.00 55.36 54.44 1jcn s GLN 298 Cb -0.12 -3.17 0.01 0.00 -0.22 0.00 0.00 33.01 29.51 1jcn s GLN 298 CO 0.00 0.56 -0.19 0.08 -0.25 0.00 0.00 175.29 175.49 1jcn s VAL 299 N -1.22 1.77 -0.22 1.09 1.01 -1.26 -1.47 120.40 120.09 1jcn s VAL 299 Ca 0.35 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1jcn s VAL 299 Cb -0.21 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1jcn s VAL 299 CO 0.23 0.49 0.14 -0.63 0.00 0.00 0.00 175.10 175.33 1jcn s ILE 300 N 0.90 5.29 0.18 2.22 1.01 -0.22 0.29 121.20 130.87 1jcn s ILE 300 Ca -0.07 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 1jcn s ILE 300 Cb -0.15 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1jcn s ILE 300 CO -0.02 0.38 0.82 -0.83 0.00 0.00 0.00 174.94 175.29 1jcn s GLY 301 N 0.80 2.96 0.44 6.18 0.00 0.34 -2.02 107.32 116.03 1jcn s GLY 301 Ca 0.07 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1jcn s GLY 301 CO 0.02 0.96 -0.27 0.61 0.00 0.00 0.00 173.10 174.43 1jcn n GLY 302 N 1.62 -2.36 3.71 0.20 0.00 -1.19 -2.36 105.19 104.81 1jcn n GLY 302 Ca -0.05 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1jcn n GLY 302 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jcn n ASN 303 N 1.79 3.51 -4.12 1.61 4.13 -1.18 -4.32 115.26 116.68 1jcn n ASN 303 Ca 0.02 1.11 -0.09 0.00 1.68 0.00 0.00 54.58 57.31 1jcn n ASN 303 Cb 0.31 -1.52 -0.10 0.00 -1.54 0.00 0.00 39.78 36.93 1jcn n ASN 303 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1jcn s VAL 304 N 0.47 0.15 0.00 2.41 -7.23 -1.03 -0.63 120.40 114.53 1jcn s VAL 304 Ca 0.71 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1jcn s VAL 304 Cb -0.57 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1jcn s VAL 304 CO 0.42 -0.69 0.04 1.33 -0.31 0.00 0.00 175.10 175.90 1jcn n VAL 305 N -0.01 0.00 -4.31 1.32 0.24 -1.26 -2.61 118.33 111.70 1jcn n VAL 305 Ca -0.09 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.34 61.99 1jcn n VAL 305 Cb 0.63 1.89 -0.10 0.00 -1.47 0.00 0.00 33.84 34.78 1jcn n VAL 305 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jcn s THR 306 N -0.00 1.56 0.27 3.34 -4.23 -1.26 -4.68 115.64 110.63 1jcn s THR 306 Ca 0.00 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1jcn s THR 306 Cb 0.00 -1.92 0.08 0.00 1.34 0.00 0.00 72.50 72.00 1jcn s THR 306 CO 0.00 -0.59 1.73 0.00 -0.54 0.00 0.00 174.62 175.21 1jcn h ALA 307 N 2.77 1.09 -0.90 3.99 0.00 -1.92 -2.37 119.26 121.91 1jcn h ALA 307 Ca -0.38 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1jcn h ALA 307 Cb 1.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1jcn h ALA 307 CO 0.60 0.56 0.58 0.00 0.00 0.00 0.00 179.25 180.99 1jcn h ALA 308 N 1.28 1.15 -0.38 0.00 0.00 -1.96 0.15 119.26 119.48 1jcn h ALA 308 Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jcn h ALA 308 Cb 0.61 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jcn h ALA 308 CO 0.04 0.57 -0.06 1.96 0.00 0.00 0.00 179.25 181.77 1jcn h GLN 309 N 1.23 0.72 -0.78 0.00 4.20 -1.93 -3.01 115.11 115.54 1jcn h GLN 309 Ca 0.33 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1jcn h GLN 309 Cb -0.10 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 1jcn h GLN 309 CO -0.07 0.84 0.51 0.00 -0.67 0.00 0.00 178.83 179.45 1jcn h ALA 310 N 0.85 1.58 -0.45 3.87 0.00 -0.84 -2.86 119.26 121.41 1jcn h ALA 310 Ca 0.10 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jcn h ALA 310 Cb 0.56 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1jcn h ALA 310 CO 0.03 0.32 0.14 -0.22 0.00 0.00 0.00 179.25 179.53 1jcn h LYS 311 N 0.90 0.30 -0.58 0.00 3.64 -0.85 -1.41 116.57 118.56 1jcn h LYS 311 Ca 0.32 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1jcn h LYS 311 Cb 0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1jcn h LYS 311 CO -0.10 0.20 0.16 -0.91 -2.27 0.00 0.00 179.45 176.53 1jcn h ASN 312 N 0.31 0.87 0.57 4.20 -0.26 -1.57 -1.24 115.58 118.44 1jcn h ASN 312 Ca 0.21 -0.22 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 1jcn h ASN 312 Cb 0.22 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1jcn h ASN 312 CO -0.23 0.86 -0.57 -0.07 -1.06 0.00 0.00 177.43 176.36 1jcn h LEU 313 N 0.83 0.00 -0.03 1.61 3.38 -1.53 -1.83 115.31 117.74 1jcn h LEU 313 Ca 0.19 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 1jcn h LEU 313 Cb 0.32 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 1jcn h LEU 313 CO -0.00 0.57 -0.84 0.40 0.09 0.00 0.00 178.44 178.65 1jcn h ILE 314 N 0.00 1.33 -0.25 1.22 2.04 -1.08 -2.01 117.51 118.76 1jcn h ILE 314 Ca -0.01 -2.13 -0.03 0.00 1.00 0.00 0.00 64.86 63.70 1jcn h ILE 314 Cb 1.00 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1jcn h ILE 314 CO 0.07 0.65 0.03 0.44 0.00 0.00 0.00 178.15 179.35 1jcn h ASP 315 N 0.25 0.33 1.05 1.72 3.32 -1.17 -0.37 116.42 121.55 1jcn h ASP 315 Ca -0.10 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1jcn h ASP 315 Cb 1.51 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 1jcn h ASP 315 CO 0.17 0.36 -0.05 0.00 -1.72 0.00 0.00 179.24 178.00 1jcn h ALA 316 N 1.69 1.01 0.00 3.45 0.00 -1.18 -3.47 119.26 120.75 1jcn h ALA 316 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jcn h ALA 316 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jcn h ALA 316 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1jcn n GLY 317 N 0.11 1.62 3.75 0.00 0.00 -0.15 -4.44 105.19 106.08 1jcn n GLY 317 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1jcn n GLY 317 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jcn s VAL 318 N -2.00 2.76 -1.78 1.61 -7.23 -0.79 -4.91 120.40 108.07 1jcn s VAL 318 Ca 0.00 0.41 0.23 0.00 -1.81 0.00 0.00 61.98 60.81 1jcn s VAL 318 Cb 0.00 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 1jcn s VAL 318 CO 0.00 -0.16 1.13 0.47 -0.31 0.00 0.00 175.10 176.23 1jcn n ASP 319 N -2.10 1.66 -3.56 4.85 8.00 0.15 -4.89 116.55 120.66 1jcn n ASP 319 Ca 0.12 -1.30 -0.06 0.00 0.71 0.00 0.00 54.79 54.27 1jcn n ASP 319 Cb 0.51 0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 42.10 1jcn n ASP 319 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jcn s GLY 320 N -2.59 -0.38 -0.04 0.44 0.00 -1.14 -1.74 107.32 101.86 1jcn s GLY 320 Ca 0.17 1.11 0.04 0.00 0.00 0.00 0.00 44.72 46.05 1jcn s GLY 320 CO 0.62 0.36 -0.18 1.08 0.00 0.00 0.00 173.10 174.99 1jcn s LEU 321 N -2.45 1.93 -0.28 0.66 1.43 -0.70 -0.51 118.68 118.77 1jcn s LEU 321 Ca 0.08 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1jcn s LEU 321 Cb -0.01 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1jcn s LEU 321 CO -0.06 0.16 0.26 -0.60 0.23 0.00 0.00 176.35 176.34 1jcn s ARG 322 N 0.01 3.96 -0.15 1.70 3.52 -1.00 -0.57 118.95 126.42 1jcn s ARG 322 Ca -0.03 -0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1jcn s ARG 322 Cb -0.11 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1jcn s ARG 322 CO 0.02 -0.23 -0.03 0.08 -0.81 0.00 0.00 175.30 174.33 1jcn s VAL 323 N 1.88 3.97 0.00 7.11 1.01 0.20 -2.48 120.40 132.10 1jcn s VAL 323 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1jcn s VAL 323 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1jcn s VAL 323 CO 0.11 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1jcn n GLY 324 N 3.48 4.34 3.20 4.51 0.00 -1.08 -0.74 105.19 118.91 1jcn n GLY 324 Ca -0.17 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.14 1jcn n GLY 324 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jcn s MET 325 N -3.08 0.18 0.00 1.61 1.75 -1.26 -4.37 119.30 114.13 1jcn s MET 325 Ca 0.00 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.81 1jcn s MET 325 Cb 0.00 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.88 1jcn s MET 325 CO 0.00 -0.15 0.00 0.41 -0.65 0.00 0.00 175.02 174.63 1jcn n GLY 326 N 5.24 3.14 3.99 2.11 0.00 -1.26 -1.99 105.19 116.42 1jcn n GLY 326 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1jcn n GLY 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcn n GLY 328 N -1.93 -1.64 3.41 0.00 0.00 -1.26 -4.73 105.19 99.05 1jcn n GLY 328 Ca 0.09 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1jcn n GLY 328 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jcn n SER 329 N -2.12 -1.82 -4.18 1.61 7.64 -1.26 -4.89 113.62 108.60 1jcn n SER 329 Ca -0.00 0.15 -0.19 0.00 1.01 0.00 0.00 58.87 59.83 1jcn n SER 329 Cb 0.15 -1.17 -0.12 0.00 -1.01 0.00 0.00 64.21 62.06 1jcn n SER 329 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jcn s ILE 330 N -2.38 1.18 0.08 0.44 1.01 -1.26 -5.05 121.20 115.21 1jcn s ILE 330 Ca 0.59 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1jcn s ILE 330 Cb -0.19 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1jcn s ILE 330 CO 0.66 -0.17 -0.16 0.00 0.00 0.00 0.00 174.94 175.26 1jcn h ILE 332 N 4.26 1.19 0.00 0.00 3.07 -2.01 -1.40 117.51 122.62 1jcn h ILE 332 Ca -0.42 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.16 1jcn h ILE 332 Cb 1.19 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1jcn h ILE 332 CO 0.40 0.26 0.00 0.41 -1.05 0.00 0.00 178.15 178.17 1jcn n THR 333 N -4.26 0.19 -2.80 0.16 -1.04 -1.26 -4.01 114.28 101.26 1jcn n THR 333 Ca -0.00 0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 1jcn n THR 333 Cb 0.28 -0.71 0.01 0.00 -1.82 0.00 0.00 70.33 68.09 1jcn n THR 333 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jcn n GLN 334 N -1.15 0.60 -2.49 -2.82 3.00 -0.54 -5.15 117.38 108.84 1jcn n GLN 334 Ca 0.13 -2.03 -0.31 0.00 -0.01 0.00 0.00 57.00 54.78 1jcn n GLN 334 Cb 0.12 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 1jcn n GLN 334 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1jcn s GLU 335 N 0.72 3.78 0.13 -1.09 8.01 -1.11 -3.81 118.70 125.32 1jcn s GLU 335 Ca 0.31 0.67 -0.27 0.00 0.01 0.00 0.00 54.97 55.68 1jcn s GLU 335 Cb 0.08 -2.24 -0.07 0.00 -4.31 0.00 0.00 34.13 27.59 1jcn s GLU 335 CO -0.12 -0.24 0.85 0.54 0.01 0.00 0.00 175.26 176.30 1jcn s VAL 336 N -2.65 4.45 0.00 2.63 0.11 -1.26 -5.04 120.40 118.64 1jcn s VAL 336 Ca 0.54 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 61.44 1jcn s VAL 336 Cb -0.10 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1jcn s VAL 336 CO 0.37 0.42 0.00 0.23 -3.33 0.00 0.00 175.10 172.79 1jcn n MET 337 N 2.23 0.00 0.08 1.54 2.81 -1.26 -5.01 117.12 117.51 1jcn n MET 337 Ca -0.02 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.98 1jcn n MET 337 Cb 0.49 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.03 1jcn n MET 337 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jcn n ALA 338 N -3.00 2.75 -2.62 3.04 0.00 -1.26 -4.93 120.51 114.49 1jcn n ALA 338 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 1jcn n ALA 338 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 1jcn n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jcn n GLY 340 N 2.16 -1.52 3.64 0.00 0.00 -1.26 -4.69 105.19 103.53 1jcn n GLY 340 Ca -0.14 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 1jcn n GLY 340 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jcn s ARG 341 N -1.58 0.53 0.19 1.61 3.52 -0.84 -5.02 118.95 117.36 1jcn s ARG 341 Ca 0.00 0.75 -0.32 0.00 -0.13 0.00 0.00 55.73 56.02 1jcn s ARG 341 Cb 0.00 0.20 -0.15 0.00 -1.56 0.00 0.00 34.95 33.44 1jcn s ARG 341 CO 0.00 -0.08 1.26 -2.30 -0.81 0.00 0.00 175.30 173.37 1jcn n PRO 342 N 3.00 1.48 -0.22 5.12 -0.02 -1.26 -4.63 135.00 138.46 1jcn n PRO 342 Ca -0.15 0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 1jcn n PRO 342 Cb 0.57 -2.09 0.08 0.00 -0.02 0.00 0.00 33.50 32.04 1jcn n PRO 342 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1jcn h GLN 343 N 3.75 0.67 -0.02 -0.52 5.75 -1.92 -2.07 115.11 120.76 1jcn h GLN 343 Ca -0.44 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.05 1jcn h GLN 343 Cb 1.32 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.67 1jcn h GLN 343 CO 0.73 0.44 -0.28 0.78 -2.65 0.00 0.00 178.83 177.85 1jcn h GLY 344 N 0.69 -0.43 1.02 2.39 0.00 -1.51 -1.33 103.07 103.89 1jcn h GLY 344 Ca 0.27 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.93 1jcn h GLY 344 CO -0.15 -0.22 0.43 -0.84 0.00 0.00 0.00 176.54 175.76 1jcn h THR 345 N -0.42 1.24 0.12 4.70 2.02 -1.32 -2.53 112.91 116.73 1jcn h THR 345 Ca 0.07 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1jcn h THR 345 Cb 0.51 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1jcn h THR 345 CO -0.25 0.26 -0.18 0.00 0.37 0.00 0.00 175.52 175.72 1jcn h ALA 346 N 1.23 -0.32 -0.35 6.16 0.00 -0.99 -0.54 119.26 124.46 1jcn h ALA 346 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jcn h ALA 346 Cb 0.03 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1jcn h ALA 346 CO -0.04 -0.71 0.17 0.28 0.00 0.00 0.00 179.25 178.94 1jcn h VAL 347 N -0.36 0.98 0.14 0.00 2.07 -1.12 -1.56 116.25 116.40 1jcn h VAL 347 Ca 0.02 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jcn h VAL 347 Cb 0.37 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jcn h VAL 347 CO -0.09 0.06 -0.07 0.22 0.02 0.00 0.00 177.57 177.72 1jcn h TYR 348 N 0.35 -0.18 -0.46 1.57 3.20 -1.25 0.47 116.97 120.68 1jcn h TYR 348 Ca 0.15 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1jcn h TYR 348 Cb 0.06 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1jcn h TYR 348 CO -0.10 -0.07 -0.03 0.87 -1.64 0.00 0.00 178.16 177.18 1jcn h LYS 349 N -0.24 0.77 0.10 1.82 1.79 -1.02 -1.04 116.57 118.75 1jcn h LYS 349 Ca -0.02 -0.22 -0.27 0.00 -2.18 0.00 0.00 60.65 57.96 1jcn h LYS 349 Cb 0.19 -0.08 0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1jcn h LYS 349 CO 0.03 0.80 -1.11 0.28 -1.08 0.00 0.00 179.45 178.37 1jcn h VAL 350 N 0.72 1.32 -0.33 0.50 2.07 -1.27 -3.22 116.25 116.04 1jcn h VAL 350 Ca 0.14 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 1jcn h VAL 350 Cb 0.48 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1jcn h VAL 350 CO 0.02 0.72 -0.08 0.00 0.02 0.00 0.00 177.57 178.25 1jcn h ALA 351 N 0.28 1.25 -0.39 1.67 0.00 -0.82 -0.16 119.26 121.08 1jcn h ALA 351 Ca -0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1jcn h ALA 351 Cb 1.80 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1jcn h ALA 351 CO 0.21 0.49 0.11 1.49 0.00 0.00 0.00 179.25 181.56 1jcn h GLU 352 N 0.51 0.57 0.17 0.00 4.81 -1.25 -1.89 114.58 117.50 1jcn h GLU 352 Ca 0.10 -0.09 -0.35 0.00 -0.13 0.00 0.00 59.36 58.89 1jcn h GLU 352 Cb 0.46 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1jcn h GLU 352 CO 0.02 0.52 -1.77 -0.92 -0.73 0.00 0.00 179.01 176.14 1jcn h TYR 353 N 0.57 0.64 -0.52 0.92 3.20 -1.47 -3.39 116.97 116.91 1jcn h TYR 353 Ca 0.13 -0.46 -0.07 0.00 3.14 0.00 0.00 58.73 61.47 1jcn h TYR 353 Cb 0.20 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1jcn h TYR 353 CO 0.01 1.65 0.03 0.00 -1.64 0.00 0.00 178.16 178.21 1jcn h ALA 354 N 0.18 1.08 0.00 1.82 0.00 -0.90 -2.78 119.26 118.66 1jcn h ALA 354 Ca -0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1jcn h ALA 354 Cb 2.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1jcn h ALA 354 CO 0.16 0.59 -0.04 0.07 0.00 0.00 0.00 179.25 180.03 1jcn h ARG 355 N 0.80 0.00 -0.09 0.00 0.11 -1.53 -0.57 114.38 113.11 1jcn h ARG 355 Ca 0.16 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.26 1jcn h ARG 355 Cb 0.44 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 1jcn h ARG 355 CO 0.02 0.04 0.07 -0.09 0.10 0.00 0.00 179.97 180.11 1jcn h ARG 356 N 0.00 0.00 -0.22 0.08 2.43 -1.69 -2.12 114.38 112.86 1jcn h ARG 356 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jcn h ARG 356 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1jcn h ARG 356 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 1jcn n PHE 357 N -4.27 0.48 -2.03 2.20 3.01 -0.28 -4.97 117.46 111.60 1jcn n PHE 357 Ca -0.01 -0.67 -0.14 0.00 1.01 0.00 0.00 57.45 57.64 1jcn n PHE 357 Cb 0.18 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.50 1jcn n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jcn n GLY 358 N -0.18 0.26 3.44 1.37 0.00 -0.80 -4.99 105.19 104.29 1jcn n GLY 358 Ca 0.13 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1jcn n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcn s VAL 359 N -2.66 5.19 0.71 1.61 1.01 -0.85 -4.71 120.40 120.71 1jcn s VAL 359 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1jcn s VAL 359 Cb 0.00 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1jcn s VAL 359 CO 0.00 -0.35 1.14 -2.65 0.00 0.00 0.00 175.10 173.23 1jcn n PRO 360 N 5.15 0.64 -4.97 2.72 -0.02 -1.26 -4.29 135.00 132.97 1jcn n PRO 360 Ca -0.11 0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.38 1jcn n PRO 360 Cb 0.46 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 1jcn n PRO 360 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jcn s ILE 361 N -1.74 1.59 -0.28 4.25 1.01 -1.26 -1.72 121.20 123.04 1jcn s ILE 361 Ca 0.77 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 1jcn s ILE 361 Cb -0.35 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1jcn s ILE 361 CO 0.47 0.45 0.09 -0.63 0.00 0.00 0.00 174.94 175.32 1jcn s ILE 362 N -0.30 4.23 -0.75 2.92 1.01 0.27 -0.05 121.20 128.52 1jcn s ILE 362 Ca 0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 1jcn s ILE 362 Cb -0.09 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.31 1jcn s ILE 362 CO 0.00 0.17 1.28 0.00 0.00 0.00 0.00 174.94 176.40 1jcn s ALA 363 N 1.57 2.76 -0.36 9.38 0.00 -0.54 -0.63 121.76 133.93 1jcn s ALA 363 Ca 0.04 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1jcn s ALA 363 Cb -0.16 -4.26 0.02 0.00 0.00 0.00 0.00 23.12 18.71 1jcn s ALA 363 CO 0.04 -3.30 0.20 0.34 0.00 0.00 0.00 175.76 173.04 1jcn s ASP 364 N 3.80 5.72 0.00 0.00 2.15 0.08 -0.98 116.67 127.45 1jcn s ASP 364 Ca 0.35 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1jcn s ASP 364 Cb -0.08 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1jcn s ASP 364 CO 0.14 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1jcn n GLY 365 N 5.01 2.69 1.87 2.66 0.00 -1.23 -4.31 105.19 111.87 1jcn n GLY 365 Ca -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1jcn n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcn n GLY 366 N 1.16 1.23 3.69 -0.02 0.00 -1.26 -4.60 105.19 105.38 1jcn n GLY 366 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jcn n GLY 366 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcn s ILE 367 N -3.00 3.83 0.00 -0.61 -1.09 -1.26 -4.83 121.20 114.24 1jcn s ILE 367 Ca 0.00 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1jcn s ILE 367 Cb 0.00 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1jcn s ILE 367 CO 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 174.94 173.72 1jcn n GLN 368 N 5.20 3.12 -4.03 2.79 6.02 -1.26 -4.61 117.38 124.60 1jcn n GLN 368 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1jcn n GLN 368 Cb 0.44 -0.61 -0.05 0.00 1.02 0.00 0.00 30.24 31.04 1jcn n GLN 368 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1jcn s THR 369 N -0.88 0.00 0.21 5.09 -4.23 -1.26 -5.03 115.64 109.55 1jcn s THR 369 Ca 0.00 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1jcn s THR 369 Cb 0.00 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.67 1jcn s THR 369 CO 0.00 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.49 1jcn h VAL 370 N 2.25 1.24 -0.96 2.29 2.07 -1.98 -2.15 116.25 119.01 1jcn h VAL 370 Ca -0.28 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 66.75 1jcn h VAL 370 Cb 1.25 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1jcn h VAL 370 CO 0.38 0.28 0.58 1.23 0.02 0.00 0.00 177.57 180.05 1jcn h GLY 371 N 1.13 1.58 0.96 2.17 0.00 -1.95 -0.17 103.07 106.78 1jcn h GLY 371 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1jcn h GLY 371 CO -0.04 0.10 0.16 0.45 0.00 0.00 0.00 176.54 177.20 1jcn h HIS 372 N 0.88 0.71 -0.09 5.60 -0.00 -1.80 -2.07 115.15 118.39 1jcn h HIS 372 Ca 0.49 -0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.81 1jcn h HIS 372 Cb 0.55 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1jcn h HIS 372 CO -0.02 0.62 -0.01 0.28 -0.00 0.00 0.00 177.93 178.80 1jcn h VAL 373 N 0.59 0.93 0.00 2.45 2.07 -0.72 -1.12 116.25 120.45 1jcn h VAL 373 Ca 0.15 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1jcn h VAL 373 Cb 0.23 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1jcn h VAL 373 CO -0.01 0.00 -0.14 1.62 0.02 0.00 0.00 177.57 179.06 1jcn h VAL 374 N 0.02 1.02 -0.07 2.57 3.04 -1.02 -1.75 116.25 120.05 1jcn h VAL 374 Ca 0.04 -0.50 -0.20 0.00 -1.01 0.00 0.00 66.70 65.03 1jcn h VAL 374 Cb 0.05 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 30.62 1jcn h VAL 374 CO -0.08 0.14 -0.74 0.11 -1.01 0.00 0.00 177.57 175.99 1jcn h LYS 375 N 0.00 0.63 -0.60 4.17 1.57 -0.89 -1.48 116.57 119.97 1jcn h LYS 375 Ca -0.00 -0.58 0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1jcn h LYS 375 Cb 0.26 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1jcn h LYS 375 CO 0.02 1.20 0.37 0.00 -0.57 0.00 0.00 179.45 180.47 1jcn h ALA 376 N 0.45 0.78 -0.26 3.86 0.00 -0.77 -1.28 119.26 122.04 1jcn h ALA 376 Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1jcn h ALA 376 Cb 1.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jcn h ALA 376 CO 0.15 0.11 -0.11 -0.07 0.00 0.00 0.00 179.25 179.33 1jcn h LEU 377 N 0.73 0.54 -2.05 0.00 3.38 -1.34 -2.60 115.31 113.97 1jcn h LEU 377 Ca 0.24 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1jcn h LEU 377 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jcn h LEU 377 CO -0.10 0.82 0.02 0.00 0.09 0.00 0.00 178.44 179.28 1jcn h ALA 378 N 0.74 1.97 -0.00 1.53 0.00 -0.97 -1.32 119.26 121.21 1jcn h ALA 378 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jcn h ALA 378 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jcn h ALA 378 CO 0.03 -0.04 -0.01 1.28 0.00 0.00 0.00 179.25 180.51 1jcn n LEU 379 N -4.45 0.15 0.00 0.00 4.77 -0.51 -4.60 117.00 112.37 1jcn n LEU 379 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1jcn n LEU 379 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jcn n LEU 379 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1jcn n GLY 380 N 1.12 1.85 3.76 -0.72 0.00 -0.50 -3.99 105.19 106.72 1jcn n GLY 380 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1jcn n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcn s ALA 381 N -1.72 3.03 -0.03 4.61 0.00 -1.00 -4.70 121.76 121.95 1jcn s ALA 381 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1jcn s ALA 381 Cb 0.00 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 1jcn s ALA 381 CO 0.00 -0.85 0.70 0.77 0.00 0.00 0.00 175.76 176.38 1jcn h SER 382 N 2.14 0.16 -5.60 0.00 0.02 -0.77 -3.40 113.55 106.10 1jcn h SER 382 Ca -0.50 -0.30 -0.25 0.00 -0.84 0.00 0.00 61.79 59.90 1jcn h SER 382 Cb 1.26 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 1jcn h SER 382 CO 0.60 1.26 -0.56 0.42 -1.14 0.00 0.00 176.83 177.41 1jcn s THR 383 N -2.60 0.00 -0.02 -2.27 -4.23 -1.00 -4.53 115.64 100.99 1jcn s THR 383 Ca -0.08 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1jcn s THR 383 Cb 0.08 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1jcn s THR 383 CO 0.82 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 174.09 1jcn s VAL 384 N -4.05 1.00 -0.20 2.29 1.01 0.04 -1.46 120.40 119.03 1jcn s VAL 384 Ca 0.38 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1jcn s VAL 384 Cb 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1jcn s VAL 384 CO 0.14 0.29 0.10 -0.32 0.00 0.00 0.00 175.10 175.31 1jcn s MET 385 N -0.14 4.07 -0.03 2.72 -2.45 -0.15 -1.48 119.30 121.83 1jcn s MET 385 Ca 0.02 -0.28 0.07 0.00 -1.25 0.00 0.00 55.69 54.24 1jcn s MET 385 Cb -0.07 -3.34 -0.02 0.00 1.25 0.00 0.00 34.83 32.66 1jcn s MET 385 CO 0.00 0.25 -0.24 -1.64 1.05 0.00 0.00 175.02 174.44 1jcn s MET 386 N 0.47 2.14 0.00 4.11 1.00 0.20 -3.58 119.30 123.64 1jcn s MET 386 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.88 1jcn s MET 386 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 34.83 32.75 1jcn s MET 386 CO -0.00 0.46 0.00 0.41 0.00 0.00 0.00 175.02 175.89 1jcn n GLY 387 N 2.68 0.28 0.34 -0.03 0.00 -1.26 -0.70 105.19 106.50 1jcn n GLY 387 Ca -0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.02 1jcn n GLY 387 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jcn h SER 388 N 0.00 0.00 0.78 1.61 4.64 -1.97 -0.60 113.55 118.02 1jcn h SER 388 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jcn h SER 388 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jcn h SER 388 CO 0.00 0.00 0.00 0.25 -0.87 0.00 0.00 176.83 176.21 1jcn h LEU 389 N 0.00 0.00 0.00 5.97 5.85 -1.89 -2.56 115.31 122.68 1jcn h LEU 389 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1jcn h LEU 389 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1jcn h LEU 389 CO -0.00 0.00 -1.00 0.18 -0.34 0.00 0.00 178.44 177.28 1jcn n LEU 390 N -2.85 0.43 0.14 2.25 4.77 -0.33 -4.50 117.00 116.90 1jcn n LEU 390 Ca 0.00 -0.33 0.19 0.00 -0.03 0.00 0.00 56.01 55.84 1jcn n LEU 390 Cb 0.25 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.12 1jcn n LEU 390 CO 0.24 0.11 1.17 0.00 -1.33 0.00 0.00 177.39 177.57 1jcn h ALA 391 N 1.75 1.99 -0.53 -1.18 0.00 -0.85 -1.78 119.26 118.66 1jcn h ALA 391 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcn h ALA 391 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jcn h ALA 391 CO 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1jcn n ALA 392 N -2.35 3.52 -2.60 0.00 0.00 -1.26 -4.82 120.51 113.00 1jcn n ALA 392 Ca 0.05 -1.61 -0.23 0.00 0.00 0.00 0.00 53.44 51.65 1jcn n ALA 392 Cb 0.48 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 1jcn n ALA 392 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jcn s THR 393 N -2.33 4.86 0.25 0.00 -4.23 -0.67 -2.59 115.64 110.92 1jcn s THR 393 Ca 0.48 -0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1jcn s THR 393 Cb 0.35 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.64 1jcn s THR 393 CO 0.17 -0.49 1.80 0.74 -0.54 0.00 0.00 174.62 176.30 1jcn h THR 394 N 0.71 0.87 0.00 3.99 2.02 -0.91 -2.26 112.91 117.33 1jcn h THR 394 Ca -0.49 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1jcn h THR 394 Cb 1.23 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1jcn h THR 394 CO 0.60 0.14 0.00 -0.62 0.37 0.00 0.00 175.52 176.01 1jcn n GLU 395 N -4.76 0.60 -2.70 6.66 4.71 -1.26 -4.81 120.64 119.09 1jcn n GLU 395 Ca 0.15 0.03 -0.41 0.00 -0.01 0.00 0.00 57.16 56.91 1jcn n GLU 395 Cb 0.32 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.20 1jcn n GLU 395 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jcn s ALA 396 N -2.24 3.26 0.43 0.62 0.00 -0.85 -3.13 121.76 119.86 1jcn s ALA 396 Ca 0.31 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 1jcn s ALA 396 Cb 0.17 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 1jcn s ALA 396 CO 0.32 -0.05 0.79 -0.35 0.00 0.00 0.00 175.76 176.47 1jcn n PRO 397 N 2.72 0.94 0.00 0.00 -0.04 -1.26 -4.91 135.00 132.45 1jcn n PRO 397 Ca 0.02 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1jcn n PRO 397 Cb 0.49 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1jcn n PRO 397 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jcn n GLY 398 N 1.47 3.35 0.00 0.55 0.00 -1.26 -4.82 105.19 104.48 1jcn n GLY 398 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1jcn n GLY 398 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jcn n GLU 399 N 0.00 0.00 -0.20 1.61 2.13 -1.26 -5.13 120.64 117.78 1jcn n GLU 399 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jcn n GLU 399 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1jcn n GLU 399 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1jcn n LYS 450 N 0.00 -0.35 0.00 5.31 4.81 -1.07 -5.24 118.16 121.63 1jcn n LYS 450 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1jcn n LYS 450 Cb 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1jcn n LYS 450 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jcn n GLY 451 N 0.04 -1.94 3.84 3.14 0.00 -1.26 -4.80 105.19 104.20 1jcn n GLY 451 Ca 0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1jcn n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jcn s SER 452 N -4.00 6.78 0.54 1.61 0.15 -1.26 -0.19 113.70 117.32 1jcn s SER 452 Ca 0.00 1.51 0.20 0.00 0.70 0.00 0.00 55.95 58.36 1jcn s SER 452 Cb 0.00 -2.47 1.39 0.00 -1.71 0.00 0.00 66.02 63.23 1jcn s SER 452 CO 0.00 -0.39 2.14 0.40 1.20 0.00 0.00 173.24 176.59 1jcn h ILE 453 N 1.58 0.86 0.00 6.45 1.08 -1.94 -1.24 117.51 124.29 1jcn h ILE 453 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1jcn h ILE 453 Cb 1.18 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1jcn h ILE 453 CO 0.62 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.08 1jcn n GLN 454 N -4.37 0.17 -0.07 2.37 3.00 -1.26 -1.56 117.38 115.65 1jcn n GLN 454 Ca -0.01 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.41 1jcn n GLN 454 Cb 0.17 -1.92 -0.06 0.00 0.00 0.00 0.00 30.24 28.43 1jcn n GLN 454 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jcn n LYS 455 N -2.25 0.35 0.15 -1.09 4.76 -0.55 -4.60 118.16 114.92 1jcn n LYS 455 Ca 0.00 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1jcn n LYS 455 Cb 0.13 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 31.98 1jcn n LYS 455 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1jcn h PHE 456 N -0.05 -0.37 -0.79 2.13 3.57 -1.18 -2.79 116.94 117.46 1jcn h PHE 456 Ca -0.32 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.25 1jcn h PHE 456 Cb 1.47 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 40.27 1jcn h PHE 456 CO 0.01 -0.04 0.44 0.28 -2.23 0.00 0.00 178.31 176.77 1jcn h VAL 457 N -0.74 0.92 -0.01 1.41 2.07 -1.55 0.17 116.25 118.52 1jcn h VAL 457 Ca -0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jcn h VAL 457 Cb 0.50 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1jcn h VAL 457 CO 0.07 0.14 -0.05 -0.65 0.02 0.00 0.00 177.57 177.09 1jcn h PRO 458 N 0.77 0.01 -0.41 1.57 0.11 -1.74 0.87 132.00 133.17 1jcn h PRO 458 Ca 0.37 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.34 1jcn h PRO 458 Cb 0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1jcn h PRO 458 CO -0.23 0.06 -0.28 -0.92 -0.21 0.00 0.00 178.00 176.42 1jcn h TYR 459 N 0.01 1.04 -0.19 0.65 3.20 -0.45 -2.20 116.97 119.02 1jcn h TYR 459 Ca 0.00 -0.27 -0.16 0.00 3.14 0.00 0.00 58.73 61.44 1jcn h TYR 459 Cb 0.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1jcn h TYR 459 CO 0.00 1.06 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.98 1jcn h LEU 460 N 0.76 0.62 -0.09 2.82 3.38 0.38 -2.41 115.31 120.76 1jcn h LEU 460 Ca 0.09 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jcn h LEU 460 Cb 0.85 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jcn h LEU 460 CO 0.07 1.04 0.05 0.40 0.09 0.00 0.00 178.44 180.10 1jcn h ILE 461 N 0.44 1.07 -0.72 1.22 2.04 -0.78 0.29 117.51 121.06 1jcn h ILE 461 Ca 0.01 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1jcn h ILE 461 Cb 1.08 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1jcn h ILE 461 CO 0.10 0.07 0.48 0.00 0.00 0.00 0.00 178.15 178.80 1jcn h ALA 462 N 0.97 0.92 -0.34 1.87 0.00 -1.39 -0.55 119.26 120.73 1jcn h ALA 462 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jcn h ALA 462 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jcn h ALA 462 CO -0.01 0.34 0.21 0.78 0.00 0.00 0.00 179.25 180.58 1jcn h GLY 463 N 0.98 0.50 1.01 0.00 0.00 -0.95 -0.61 103.07 103.99 1jcn h GLY 463 Ca 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1jcn h GLY 463 CO -0.06 0.19 0.25 -2.22 0.00 0.00 0.00 176.54 174.70 1jcn h ILE 464 N 0.45 1.24 -0.83 2.60 2.04 -0.64 -0.22 117.51 122.15 1jcn h ILE 464 Ca 0.12 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1jcn h ILE 464 Cb -0.01 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1jcn h ILE 464 CO -0.02 0.29 0.55 1.56 0.00 0.00 0.00 178.15 180.53 1jcn h GLN 465 N 0.90 1.04 -0.04 2.37 4.20 -0.72 0.21 115.11 123.08 1jcn h GLN 465 Ca 0.21 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.70 1jcn h GLN 465 Cb 0.22 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1jcn h GLN 465 CO -0.02 0.69 -0.68 0.45 -0.67 0.00 0.00 178.83 178.61 1jcn h HIS 466 N 1.07 0.23 -0.25 2.96 3.86 -0.60 -1.97 115.15 120.45 1jcn h HIS 466 Ca 0.32 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1jcn h HIS 466 Cb -0.03 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1jcn h HIS 466 CO -0.00 0.79 0.14 0.78 0.86 0.00 0.00 177.93 180.50 1jcn h GLY 467 N 1.68 0.38 1.02 2.45 0.00 0.34 -1.96 103.07 106.97 1jcn h GLY 467 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1jcn h GLY 467 CO 0.10 0.17 0.29 0.00 0.00 0.00 0.00 176.54 177.10 1jcn h GLN 469 N 0.98 0.53 -0.61 0.00 4.15 -1.17 -0.45 115.11 118.53 1jcn h GLN 469 Ca 0.23 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1jcn h GLN 469 Cb 0.19 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1jcn h GLN 469 CO -0.02 0.40 0.41 -0.44 -1.93 0.00 0.00 178.83 177.25 1jcn h ASP 470 N 0.50 0.44 0.33 -0.69 3.32 -1.23 0.33 116.42 119.42 1jcn h ASP 470 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1jcn h ASP 470 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1jcn h ASP 470 CO -0.02 0.27 -0.28 2.30 -1.72 0.00 0.00 179.24 179.79 1jcn n ILE 471 N -4.48 0.00 -1.24 0.35 -5.35 -0.94 -1.43 119.36 106.27 1jcn n ILE 471 Ca 0.10 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1jcn n ILE 471 Cb 0.32 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1jcn n ILE 471 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jcn n GLY 472 N 1.37 0.71 3.52 3.28 0.00 0.11 -3.99 105.19 110.18 1jcn n GLY 472 Ca 0.11 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1jcn n GLY 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcn s ALA 473 N -2.00 2.95 -1.85 4.61 0.00 -0.30 -4.90 121.76 120.28 1jcn s ALA 473 Ca 0.00 -0.85 0.29 0.00 0.00 0.00 0.00 51.96 51.39 1jcn s ALA 473 Cb 0.00 -1.39 1.23 0.00 0.00 0.00 0.00 23.12 22.96 1jcn s ALA 473 CO 0.00 0.36 1.85 0.54 0.00 0.00 0.00 175.76 178.51 1jcn n ARG 474 N 3.02 0.91 -3.50 0.00 1.74 -1.26 -4.08 116.66 113.49 1jcn n ARG 474 Ca -0.18 -0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 56.45 1jcn n ARG 474 Cb 0.53 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1jcn n ARG 474 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jcn s SER 475 N -2.34 -0.46 0.48 0.55 1.04 -1.26 -1.03 113.70 110.68 1jcn s SER 475 Ca 0.32 -0.07 0.23 0.00 0.48 0.00 0.00 55.95 56.91 1jcn s SER 475 Cb 0.20 0.54 1.20 0.00 0.10 0.00 0.00 66.02 68.06 1jcn s SER 475 CO 0.44 -0.89 1.99 -0.07 0.98 0.00 0.00 173.24 175.69 1jcn h LEU 476 N 2.00 0.00 -0.21 2.42 3.38 -1.82 -2.23 115.31 118.85 1jcn h LEU 476 Ca -0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 1jcn h LEU 476 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1jcn h LEU 476 CO 0.34 0.19 -0.37 -1.28 0.09 0.00 0.00 178.44 177.41 1jcn h SER 477 N 0.00 0.68 -0.62 -0.43 0.87 -1.86 -2.46 113.55 109.73 1jcn h SER 477 Ca -0.00 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1jcn h SER 477 Cb 0.45 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1jcn h SER 477 CO 0.02 1.09 0.37 0.58 -0.53 0.00 0.00 176.83 178.36 1jcn h VAL 478 N 0.30 1.19 0.71 2.23 2.07 -1.85 -2.06 116.25 118.84 1jcn h VAL 478 Ca 0.01 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1jcn h VAL 478 Cb 0.96 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1jcn h VAL 478 CO 0.08 0.20 -0.44 0.25 0.02 0.00 0.00 177.57 177.68 1jcn h LEU 479 N 0.88 -1.11 -1.70 2.57 6.46 -1.23 0.25 115.31 121.43 1jcn h LEU 479 Ca 0.23 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.11 1jcn h LEU 479 Cb -0.01 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 1jcn h LEU 479 CO -0.04 -0.68 0.30 0.03 -0.62 0.00 0.00 178.44 177.43 1jcn h ARG 480 N -1.08 0.36 -0.36 1.25 3.08 -1.32 -1.38 114.38 114.92 1jcn h ARG 480 Ca -0.09 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1jcn h ARG 480 Cb 0.87 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1jcn h ARG 480 CO 0.09 0.24 -0.11 1.03 -1.07 0.00 0.00 179.97 180.15 1jcn h SER 481 N 0.37 0.73 0.08 7.04 0.87 -0.77 -1.18 113.55 120.70 1jcn h SER 481 Ca 0.20 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1jcn h SER 481 Cb 0.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1jcn h SER 481 CO -0.05 0.94 -0.14 0.24 -0.53 0.00 0.00 176.83 177.30 1jcn h MET 482 N 0.51 0.13 0.05 2.24 2.86 0.54 -1.99 114.93 119.27 1jcn h MET 482 Ca 0.09 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 1jcn h MET 482 Cb 0.63 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.29 1jcn h MET 482 CO 0.04 0.27 -0.76 0.00 1.06 0.00 0.00 176.91 177.52 1jcn h MET 483 N 0.12 0.42 -0.27 1.72 -0.00 -1.01 0.66 114.93 116.58 1jcn h MET 483 Ca 0.03 -0.52 -0.05 0.00 -0.00 0.00 0.00 59.70 59.15 1jcn h MET 483 Cb 0.32 0.17 -0.02 0.00 -0.00 0.00 0.00 31.60 32.07 1jcn h MET 483 CO 0.02 1.19 -0.05 1.88 -0.00 0.00 0.00 176.91 179.94 1jcn h TYR 484 N -0.10 0.45 -0.00 -0.10 0.99 -1.13 -2.38 116.97 114.69 1jcn h TYR 484 Ca -0.11 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1jcn h TYR 484 Cb 1.49 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 39.10 1jcn h TYR 484 CO 0.15 0.49 -0.02 -1.13 -0.00 0.00 0.00 178.16 177.65 1jcn n SER 485 N -4.27 0.13 0.00 3.88 3.41 -0.76 -4.90 113.62 111.12 1jcn n SER 485 Ca 0.01 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1jcn n SER 485 Cb 0.26 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1jcn n SER 485 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jcn n GLY 486 N 1.19 0.81 0.18 5.00 0.00 -0.90 -4.93 105.19 106.54 1jcn n GLY 486 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1jcn n GLY 486 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jcn h GLU 487 N 3.49 0.59 -6.59 1.61 4.81 -1.28 -3.44 114.58 113.77 1jcn h GLU 487 Ca 0.00 -0.54 -0.53 0.00 -0.13 0.00 0.00 59.36 58.17 1jcn h GLU 487 Cb 0.00 0.13 0.03 0.00 0.63 0.00 0.00 28.75 29.54 1jcn h GLU 487 CO 0.00 1.16 0.70 -1.17 -0.73 0.00 0.00 179.01 178.97 1jcn s LEU 488 N -8.41 4.38 0.02 1.64 2.96 0.04 -4.66 118.68 114.64 1jcn s LEU 488 Ca -0.12 2.35 0.05 0.00 -0.22 0.00 0.00 54.13 56.19 1jcn s LEU 488 Cb 0.06 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1jcn s LEU 488 CO 0.86 -0.61 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.61 1jcn s LYS 489 N 0.71 2.32 0.41 1.98 3.01 -1.26 -4.31 119.74 122.60 1jcn s LYS 489 Ca 0.62 -0.84 0.04 0.00 -1.01 0.00 0.00 55.97 54.77 1jcn s LYS 489 Cb -0.37 -2.34 -0.04 0.00 -1.01 0.00 0.00 37.83 34.07 1jcn s LYS 489 CO 0.33 0.57 0.05 -0.06 0.51 0.00 0.00 175.35 176.76 1jcn s PHE 490 N -0.94 2.00 -0.11 3.18 0.40 0.18 -1.01 117.98 121.68 1jcn s PHE 490 Ca 0.15 -0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 55.45 1jcn s PHE 490 Cb -0.11 -1.43 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1jcn s PHE 490 CO 0.06 0.07 0.23 -2.00 0.70 0.00 0.00 175.22 174.28 1jcn s GLU 491 N -3.80 0.15 0.27 0.44 2.56 -0.40 -0.50 118.70 117.41 1jcn s GLU 491 Ca 0.25 0.61 -0.29 0.00 0.00 0.00 0.00 54.97 55.54 1jcn s GLU 491 Cb 0.06 -0.11 -0.09 0.00 2.00 0.00 0.00 34.13 35.98 1jcn s GLU 491 CO 0.13 -0.23 0.96 0.21 -0.56 0.00 0.00 175.26 175.77 1jcn s LYS 492 N 1.84 4.73 0.06 4.30 2.20 -1.26 -1.21 119.74 130.39 1jcn s LYS 492 Ca -0.04 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.07 1jcn s LYS 492 Cb -0.11 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1jcn s LYS 492 CO -0.08 0.40 0.12 1.03 -0.36 0.00 0.00 175.35 176.46 1jcn s ARG 493 N -1.50 3.09 0.52 4.03 0.52 -0.10 -4.96 118.95 120.55 1jcn s ARG 493 Ca 0.44 -0.57 -0.19 0.00 -0.52 0.00 0.00 55.73 54.89 1jcn s ARG 493 Cb -0.25 -2.85 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 1jcn s ARG 493 CO 0.31 0.60 1.06 0.95 0.02 0.00 0.00 175.30 178.23 1jcn s THR 494 N -1.39 3.68 -0.12 0.02 -4.23 -1.26 -4.85 115.64 107.49 1jcn s THR 494 Ca 0.30 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1jcn s THR 494 Cb -0.12 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1jcn s THR 494 CO 0.22 -0.29 0.08 0.23 -0.54 0.00 0.00 174.62 174.33 1jcn n MET 495 N -1.28 0.09 -3.09 3.99 0.00 -1.26 -3.37 117.12 112.20 1jcn n MET 495 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.63 1jcn n MET 495 Cb 0.52 -1.41 -0.01 0.00 0.00 0.00 0.00 33.22 32.33 1jcn n MET 495 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1jcn n SER 496 N 0.90 0.06 -1.22 7.83 3.41 -1.26 -5.13 113.62 118.21 1jcn n SER 496 Ca 0.00 -3.14 -0.15 0.00 -0.26 0.00 0.00 58.87 55.32 1jcn n SER 496 Cb 0.04 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1jcn n SER 496 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jcn n ALA 497 N 0.40 -1.42 -1.57 7.33 0.00 -1.22 -4.90 120.51 119.13 1jcn n ALA 497 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1jcn n ALA 497 Cb 0.66 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1jcn n ALA 497 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jcn n GLN 498 N 0.36 0.00 0.00 0.00 3.00 -1.26 -5.14 117.38 114.34 1jcn n GLN 498 Ca 0.05 -0.42 0.14 0.00 -0.01 0.00 0.00 57.00 56.76 1jcn n GLN 498 Cb 0.04 -0.32 0.60 0.00 0.00 0.00 0.00 30.24 30.56 1jcn n GLN 498 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17