#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1y s LYS 3 N 0.00 1.79 -0.11 3.69 1.02 -0.73 -4.90 119.74 120.49 3m1y s LYS 3 Ca 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 55.97 54.19 3m1y s LYS 3 Cb 0.00 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 3m1y s LYS 3 CO 0.00 0.25 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.33 3m1y s LEU 4 N -3.57 1.87 -0.20 3.17 2.96 -0.88 -0.51 118.68 121.52 3m1y s LEU 4 Ca 0.31 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3m1y s LEU 4 Cb -0.02 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.49 3m1y s LEU 4 CO 0.16 0.05 -0.17 0.00 -1.32 0.00 0.00 176.35 175.07 3m1y s ALA 5 N 0.84 2.42 -0.10 5.97 0.00 -0.47 0.02 121.76 130.45 3m1y s ALA 5 Ca -0.09 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3m1y s ALA 5 Cb -0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 3m1y s ALA 5 CO -0.00 -0.50 -0.17 0.54 0.00 0.00 0.00 175.76 175.63 3m1y s VAL 6 N 1.28 2.75 -0.03 0.00 0.11 -0.04 -1.18 120.40 123.28 3m1y s VAL 6 Ca 0.03 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3m1y s VAL 6 Cb -0.14 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 3m1y s VAL 6 CO -0.11 0.55 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.73 3m1y s PHE 7 N 0.04 2.76 0.53 1.54 0.08 0.67 -1.39 117.98 122.22 3m1y s PHE 7 Ca -0.06 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.77 3m1y s PHE 7 Cb -0.15 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 3m1y s PHE 7 CO 0.05 0.25 0.91 0.34 -0.10 0.00 0.00 175.22 176.67 3m1y s ASP 8 N -0.93 6.33 -0.06 1.36 2.15 -0.57 -0.41 116.67 124.53 3m1y s ASP 8 Ca 0.13 1.24 -0.05 0.00 0.43 0.00 0.00 52.55 54.30 3m1y s ASP 8 Cb -0.11 -2.38 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 3m1y s ASP 8 CO 0.02 -0.67 -0.10 0.33 -0.17 0.00 0.00 175.17 174.57 3m1y n PHE 9 N -2.24 0.12 -1.94 -5.34 7.35 -1.08 -3.25 117.46 111.08 3m1y n PHE 9 Ca 0.04 0.05 -0.42 0.00 -0.76 0.00 0.00 57.45 56.36 3m1y n PHE 9 Cb 0.54 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 40.07 3m1y n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3m1y s ASP 10 N -4.55 6.63 -0.80 -2.13 1.01 -1.26 -1.69 116.67 113.88 3m1y s ASP 10 Ca -0.09 2.34 0.00 0.00 0.71 0.00 0.00 52.55 55.51 3m1y s ASP 10 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3m1y s ASP 10 CO 0.13 -0.94 0.00 -1.20 0.21 0.00 0.00 175.17 173.37 3m1y n SER 11 N 7.04 -4.29 0.06 0.27 7.64 -0.21 -4.80 113.62 119.33 3m1y n SER 11 Ca 0.18 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.24 3m1y n SER 11 Cb 0.42 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 3m1y n SER 11 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3m1y n THR 12 N -2.65 0.43 -0.06 0.44 -1.04 -1.00 -4.72 114.28 105.68 3m1y n THR 12 Ca -0.08 0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 3m1y n THR 12 Cb 0.31 -1.06 -0.13 0.00 -1.82 0.00 0.00 70.33 67.63 3m1y n THR 12 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m1y n LEU 13 N -3.25 2.20 -4.55 -4.42 4.77 -0.68 -4.81 117.00 106.27 3m1y n LEU 13 Ca 0.00 0.33 -0.34 0.00 -0.03 0.00 0.00 56.01 55.97 3m1y n LEU 13 Cb 0.09 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 3m1y n LEU 13 CO 0.00 0.53 -0.38 0.68 -1.33 0.00 0.00 177.39 176.89 3m1y s VAL 14 N -2.45 3.65 -1.43 4.08 -7.23 -0.99 -0.36 120.40 115.67 3m1y s VAL 14 Ca -0.26 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 3m1y s VAL 14 Cb 0.06 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.55 3m1y s VAL 14 CO 0.67 0.57 2.28 -3.20 -0.31 0.00 0.00 175.10 175.11 3m1y n ASN 15 N 2.56 5.46 -3.69 4.85 2.85 -0.23 -1.05 115.26 126.01 3m1y n ASN 15 Ca -0.18 -2.89 -0.02 0.00 -0.11 0.00 0.00 54.58 51.38 3m1y n ASN 15 Cb 0.53 -1.56 -0.01 0.00 1.24 0.00 0.00 39.78 39.97 3m1y n ASN 15 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3m1y s ALA 16 N 1.85 -1.79 -0.31 5.20 0.00 -1.26 -4.73 121.76 120.72 3m1y s ALA 16 Ca 0.50 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3m1y s ALA 16 Cb 0.14 0.59 0.09 0.00 0.00 0.00 0.00 23.12 23.94 3m1y s ALA 16 CO -0.06 -1.05 0.05 -2.00 0.00 0.00 0.00 175.76 172.70 3m1y s GLU 17 N -2.98 1.28 0.12 0.00 2.56 -1.26 -2.13 118.70 116.28 3m1y s GLU 17 Ca 0.14 -1.49 -0.24 0.00 0.00 0.00 0.00 54.97 53.38 3m1y s GLU 17 Cb -0.00 -2.72 -0.05 0.00 2.00 0.00 0.00 34.13 33.35 3m1y s GLU 17 CO 0.01 -0.90 1.20 2.41 -0.56 0.00 0.00 175.26 177.43 3m1y n THR 18 N 4.50 -0.52 -0.34 -1.70 -1.04 -1.26 -1.37 114.28 112.56 3m1y n THR 18 Ca -0.01 1.89 0.07 0.00 -2.04 0.00 0.00 64.05 63.96 3m1y n THR 18 Cb 0.42 -2.33 0.26 0.00 -1.82 0.00 0.00 70.33 66.85 3m1y n THR 18 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3m1y h ILE 19 N 0.00 0.95 0.06 12.58 6.09 -1.99 -2.59 117.51 132.61 3m1y h ILE 19 Ca 0.12 -0.33 -0.24 0.00 -1.37 0.00 0.00 64.86 63.04 3m1y h ILE 19 Cb 0.31 -0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.49 3m1y h ILE 19 CO -0.72 0.18 -1.12 1.05 -3.07 0.00 0.00 178.15 174.47 3m1y h GLU 20 N 0.97 0.14 -0.72 2.19 4.11 -1.65 -1.33 114.58 118.29 3m1y h GLU 20 Ca 0.46 -0.24 0.08 0.00 0.07 0.00 0.00 59.36 59.73 3m1y h GLU 20 Cb 0.43 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 3m1y h GLU 20 CO -0.22 1.11 0.38 0.77 0.07 0.00 0.00 179.01 181.12 3m1y h SER 21 N 0.04 0.53 -0.29 3.06 0.02 -1.11 0.71 113.55 116.51 3m1y h SER 21 Ca -0.07 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3m1y h SER 21 Cb 1.86 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 3m1y h SER 21 CO 0.17 0.32 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.05 3m1y h LEU 22 N 0.67 0.55 -0.08 5.07 4.07 -1.44 -1.45 115.31 122.69 3m1y h LEU 22 Ca 0.34 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.98 3m1y h LEU 22 Cb 0.30 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 3m1y h LEU 22 CO -0.23 0.77 -0.17 0.00 -1.08 0.00 0.00 178.44 177.73 3m1y h ALA 23 N 0.79 -0.14 -0.34 1.53 0.00 -0.15 -1.02 119.26 119.92 3m1y h ALA 23 Ca 0.08 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3m1y h ALA 23 Cb 0.52 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3m1y h ALA 23 CO 0.03 -0.64 -0.38 0.07 0.00 0.00 0.00 179.25 178.33 3m1y h ARG 24 N -0.24 0.82 0.00 0.00 0.11 -0.94 0.11 114.38 114.23 3m1y h ARG 24 Ca 0.08 -0.42 -0.00 0.00 0.10 0.00 0.00 59.98 59.74 3m1y h ARG 24 Cb 0.35 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.44 3m1y h ARG 24 CO -0.22 1.05 -0.00 0.00 0.10 0.00 0.00 179.97 180.90 3m1y h ALA 25 N 0.90 1.14 -0.02 0.08 0.00 -0.94 0.22 119.26 120.64 3m1y h ALA 25 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m1y h ALA 25 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3m1y h ALA 25 CO 0.09 0.00 -0.01 1.87 0.00 0.00 0.00 179.25 181.20 3m1y n TRP 26 N -3.30 0.00 -1.22 0.00 -0.00 -0.42 -5.00 117.44 107.51 3m1y n TRP 26 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.43 3m1y n TRP 26 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.38 3m1y n TRP 26 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m1y n GLY 27 N 0.95 0.64 0.84 5.87 0.00 0.06 -4.92 105.19 108.63 3m1y n GLY 27 Ca 0.10 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.27 3m1y n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3m1y n VAL 28 N -3.00 2.07 -0.09 1.61 0.24 0.17 -4.82 118.33 114.52 3m1y n VAL 28 Ca -0.04 -3.19 -0.09 0.00 -2.04 0.00 0.00 64.34 58.98 3m1y n VAL 28 Cb 0.17 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.29 3m1y n VAL 28 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3m1y h PHE 29 N 1.14 0.40 -0.55 6.34 3.57 -1.86 -2.44 116.94 123.55 3m1y h PHE 29 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3m1y h PHE 29 Cb 1.13 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3m1y h PHE 29 CO 0.73 0.31 0.30 -0.44 -2.23 0.00 0.00 178.31 176.97 3m1y h ASP 30 N 0.37 0.69 0.10 0.41 3.32 -1.93 0.55 116.42 119.93 3m1y h ASP 30 Ca 0.11 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3m1y h ASP 30 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3m1y h ASP 30 CO -0.02 0.59 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.68 3m1y h GLU 31 N 0.74 -0.18 -0.65 3.56 5.08 -1.93 -0.38 114.58 120.82 3m1y h GLU 31 Ca 0.19 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3m1y h GLU 31 Cb 0.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3m1y h GLU 31 CO -0.03 -0.12 0.31 0.28 -1.00 0.00 0.00 179.01 178.45 3m1y h VAL 32 N -0.19 1.22 -0.46 3.13 2.07 -1.25 -2.57 116.25 118.20 3m1y h VAL 32 Ca -0.00 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.97 3m1y h VAL 32 Cb 0.17 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3m1y h VAL 32 CO -0.01 0.26 0.06 0.50 0.02 0.00 0.00 177.57 178.40 3m1y h LYS 33 N 0.89 0.18 -0.40 1.57 3.64 0.49 0.72 116.57 123.68 3m1y h LYS 33 Ca 0.22 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3m1y h LYS 33 Cb 0.12 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3m1y h LYS 33 CO -0.03 0.12 0.13 1.15 -2.27 0.00 0.00 179.45 178.55 3m1y h THR 34 N 0.19 0.86 -0.17 1.00 2.02 -0.77 -1.40 112.91 114.63 3m1y h THR 34 Ca 0.23 -0.10 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 3m1y h THR 34 Cb 0.32 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3m1y h THR 34 CO -0.33 0.05 -0.45 0.40 0.37 0.00 0.00 175.52 175.56 3m1y h ILE 35 N 0.28 1.32 -0.83 3.11 2.04 -0.83 -2.62 117.51 119.98 3m1y h ILE 35 Ca 0.19 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3m1y h ILE 35 Cb 0.18 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3m1y h ILE 35 CO -0.20 0.51 0.49 0.71 0.00 0.00 0.00 178.15 179.66 3m1y h THR 36 N 0.35 1.23 -3.75 -0.27 1.35 0.93 -3.25 112.91 109.49 3m1y h THR 36 Ca 0.02 -0.51 -0.43 0.00 -0.55 0.00 0.00 66.41 64.94 3m1y h THR 36 Cb 0.94 0.07 0.18 0.00 -1.73 0.00 0.00 68.15 67.60 3m1y h THR 36 CO 0.08 0.24 0.29 -0.76 -0.25 0.00 0.00 175.52 175.12 3m1y s LEU 37 N -9.87 1.76 0.00 3.87 1.43 -0.57 -3.38 118.68 111.92 3m1y s LEU 37 Ca -0.12 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3m1y s LEU 37 Cb 0.17 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3m1y s LEU 37 CO 0.81 -3.44 0.00 0.29 0.23 0.00 0.00 176.35 174.24 3m1y n LYS 38 N -4.26 0.00 0.00 1.70 5.02 -1.26 -4.75 118.16 114.61 3m1y n LYS 38 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3m1y n LYS 38 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3m1y n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m1y n ALA 39 N 0.00 1.40 -0.27 7.82 0.00 -1.22 0.27 120.51 128.50 3m1y n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m1y n ALA 39 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3m1y n ALA 39 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3m1y n ASN 41 N 0.60 0.00 0.00 0.00 6.94 -1.26 -4.69 115.26 116.85 3m1y n ASN 41 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3m1y n ASN 41 Cb 0.06 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3m1y n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3m1y n GLY 42 N -0.10 0.00 0.24 4.83 0.00 -0.42 -4.81 105.19 104.92 3m1y n GLY 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3m1y n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m1y h GLU 43 N 0.00 0.72 -4.28 1.61 5.08 -0.47 -3.45 114.58 113.79 3m1y h GLU 43 Ca 0.00 -0.39 -0.21 0.00 -1.00 0.00 0.00 59.36 57.76 3m1y h GLU 43 Cb 0.00 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 29.07 3m1y h GLU 43 CO 0.00 1.01 -0.71 -0.08 -1.00 0.00 0.00 179.01 178.23 3m1y s THR 44 N -4.25 0.33 0.64 1.13 -1.32 -1.23 -4.97 115.64 105.97 3m1y s THR 44 Ca -0.09 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 59.15 3m1y s THR 44 Cb 0.12 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3m1y s THR 44 CO 0.85 -0.52 1.04 1.51 -2.21 0.00 0.00 174.62 175.30 3m1y s ASP 45 N -1.74 5.78 0.25 8.08 -4.77 -1.26 -4.28 116.67 118.72 3m1y s ASP 45 Ca -0.10 1.60 -0.06 0.00 -3.30 0.00 0.00 52.55 50.70 3m1y s ASP 45 Cb -0.07 -2.50 0.46 0.00 -1.09 0.00 0.00 42.92 39.71 3m1y s ASP 45 CO -0.01 -1.17 1.66 0.15 0.70 0.00 0.00 175.17 176.49 3m1y h PHE 46 N -0.24 0.10 -0.30 2.11 3.57 -1.99 -2.23 116.94 117.95 3m1y h PHE 46 Ca -0.45 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.15 3m1y h PHE 46 Cb 1.20 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 3m1y h PHE 46 CO 0.62 -0.18 0.01 1.25 -2.23 0.00 0.00 178.31 177.79 3m1y h HIS 47 N 0.17 0.00 -0.42 0.41 2.76 -1.95 -1.14 115.15 114.97 3m1y h HIS 47 Ca 0.42 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.48 3m1y h HIS 47 Cb 0.74 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 3m1y h HIS 47 CO -0.35 -0.04 -0.25 0.87 -1.30 0.00 0.00 177.93 176.87 3m1y h LYS 48 N 0.10 0.88 0.08 5.26 1.79 -1.84 -2.80 116.57 120.04 3m1y h LYS 48 Ca 0.14 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3m1y h LYS 48 Cb 0.19 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3m1y h LYS 48 CO -0.23 1.03 -0.31 0.77 -1.08 0.00 0.00 179.45 179.63 3m1y h SER 49 N 0.76 -0.90 -0.27 0.86 0.02 -1.00 0.73 113.55 113.74 3m1y h SER 49 Ca 0.09 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 3m1y h SER 49 Cb 0.80 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 3m1y h SER 49 CO 0.07 -0.39 -0.20 0.25 -1.14 0.00 0.00 176.83 175.41 3m1y h LEU 50 N -0.50 -0.67 -0.86 5.07 5.85 -1.19 0.18 115.31 123.18 3m1y h LEU 50 Ca 0.04 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3m1y h LEU 50 Cb 0.55 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3m1y h LEU 50 CO -0.21 -0.24 0.57 0.40 -0.34 0.00 0.00 178.44 178.62 3m1y h ILE 51 N -0.19 1.21 -0.30 4.05 2.04 -1.19 -1.96 117.51 121.17 3m1y h ILE 51 Ca 0.15 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.43 3m1y h ILE 51 Cb 0.42 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3m1y h ILE 51 CO -0.39 0.21 -0.51 -0.07 0.00 0.00 0.00 178.15 177.39 3m1y h LEU 52 N 1.16 0.96 -0.97 1.44 3.38 -0.12 -2.98 115.31 118.18 3m1y h LEU 52 Ca 0.32 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3m1y h LEU 52 Cb -0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 3m1y h LEU 52 CO -0.08 1.29 -0.31 0.03 0.09 0.00 0.00 178.44 179.47 3m1y h ARG 53 N 0.68 0.38 -0.09 1.13 3.08 -0.48 -3.10 114.38 115.96 3m1y h ARG 53 Ca 0.02 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3m1y h ARG 53 Cb 1.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3m1y h ARG 53 CO 0.12 0.65 -0.55 0.28 -1.07 0.00 0.00 179.97 179.39 3m1y h VAL 54 N 0.33 1.36 0.00 2.04 2.07 -1.35 -2.95 116.25 117.75 3m1y h VAL 54 Ca 0.04 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 3m1y h VAL 54 Cb 0.71 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3m1y h VAL 54 CO 0.05 0.55 -0.02 0.77 0.02 0.00 0.00 177.57 178.95 3m1y h SER 55 N 0.21 0.00 0.65 0.57 4.64 -1.28 0.22 113.55 118.57 3m1y h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1y h SER 55 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3m1y h SER 55 CO 0.09 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 3m1y n LYS 56 N -3.26 0.23 -0.00 4.77 4.76 -1.11 -3.04 118.16 120.51 3m1y n LYS 56 Ca -0.02 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.59 3m1y n LYS 56 Cb 0.13 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.02 3m1y n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m1y n LEU 57 N -1.37 2.66 -4.54 -0.35 4.32 0.07 -4.86 117.00 112.93 3m1y n LEU 57 Ca 0.10 -0.89 -0.44 0.00 -0.02 0.00 0.00 56.01 54.76 3m1y n LEU 57 Cb 0.25 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.04 3m1y n LEU 57 CO 0.22 0.44 0.40 1.17 -1.22 0.00 0.00 177.39 178.40 3m1y n LYS 58 N 1.09 1.02 -1.86 3.23 4.81 -1.17 -4.70 118.16 120.58 3m1y n LYS 58 Ca 0.15 0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.94 3m1y n LYS 58 Cb 0.54 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 3m1y n LYS 58 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3m1y n ASN 59 N 1.24 -2.20 -4.62 3.14 3.02 -0.11 -4.96 115.26 110.77 3m1y n ASN 59 Ca 0.11 0.44 -0.33 0.00 -0.03 0.00 0.00 54.58 54.77 3m1y n ASN 59 Cb 0.33 -2.38 -0.10 0.00 -0.61 0.00 0.00 39.78 37.03 3m1y n ASN 59 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3m1y s PRO 61 N -0.78 2.71 0.17 3.52 0.02 -1.26 -4.67 135.00 134.71 3m1y s PRO 61 Ca -0.07 -0.61 -0.05 0.00 0.02 0.00 0.00 61.00 60.29 3m1y s PRO 61 Cb 0.00 -2.60 0.05 0.00 0.02 0.00 0.00 34.50 31.98 3m1y s PRO 61 CO 0.26 0.64 1.47 1.25 -0.33 0.00 0.00 177.00 180.28 3m1y h LEU 62 N 4.76 0.71 -0.43 -5.54 5.85 -1.52 -0.97 115.31 118.18 3m1y h LEU 62 Ca -0.49 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 57.83 3m1y h LEU 62 Cb 1.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3m1y h LEU 62 CO 0.54 1.13 0.21 0.11 -0.34 0.00 0.00 178.44 180.09 3m1y h LYS 63 N 0.49 0.61 -0.42 1.25 1.57 -2.00 0.14 116.57 118.21 3m1y h LYS 63 Ca 0.01 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 3m1y h LYS 63 Cb 1.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3m1y h LYS 63 CO 0.11 0.52 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.29 3m1y h LEU 64 N 0.55 0.79 -0.46 2.94 4.07 -1.94 -0.29 115.31 120.96 3m1y h LEU 64 Ca 0.15 -0.26 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 3m1y h LEU 64 Cb 0.10 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3m1y h LEU 64 CO -0.02 0.95 0.10 0.00 -1.08 0.00 0.00 178.44 178.39 3m1y h ALA 65 N 1.12 0.61 -0.40 1.53 0.00 -0.79 -1.57 119.26 119.76 3m1y h ALA 65 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3m1y h ALA 65 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3m1y h ALA 65 CO 0.05 0.31 0.14 -0.22 0.00 0.00 0.00 179.25 179.53 3m1y h LYS 66 N 0.63 0.61 -0.31 0.00 3.64 -0.45 -1.33 116.57 119.36 3m1y h LYS 66 Ca 0.14 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3m1y h LYS 66 Cb 0.34 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3m1y h LYS 66 CO 0.00 0.59 -0.01 1.49 -2.27 0.00 0.00 179.45 179.26 3m1y h GLU 67 N 0.51 0.08 -0.35 1.90 4.81 -0.87 0.75 114.58 121.40 3m1y h GLU 67 Ca 0.13 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3m1y h GLU 67 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3m1y h GLU 67 CO -0.01 0.05 0.18 0.28 -0.73 0.00 0.00 179.01 178.78 3m1y h VAL 68 N 0.08 1.15 0.00 0.32 2.07 -1.14 -2.68 116.25 116.05 3m1y h VAL 68 Ca 0.15 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3m1y h VAL 68 Cb 0.20 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3m1y h VAL 68 CO -0.26 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.38 3m1y n GLU 70 N -4.03 2.34 -0.01 0.00 1.02 0.20 -4.00 120.64 116.16 3m1y n GLU 70 Ca -0.02 -2.01 0.06 0.00 -0.02 0.00 0.00 57.16 55.16 3m1y n GLU 70 Cb 0.20 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3m1y n GLU 70 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3m1y n SER 71 N 1.10 1.95 -4.74 1.62 7.64 -0.80 -5.02 113.62 115.38 3m1y n SER 71 Ca 0.19 -1.48 -0.42 0.00 1.01 0.00 0.00 58.87 58.17 3m1y n SER 71 Cb 0.49 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 3m1y n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m1y s LEU 72 N -0.92 4.36 -0.06 -3.43 1.43 -1.24 -4.94 118.68 113.88 3m1y s LEU 72 Ca 0.13 2.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 3m1y s LEU 72 Cb 0.09 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3m1y s LEU 72 CO 0.14 -0.87 1.26 -2.16 0.23 0.00 0.00 176.35 174.95 3m1y s PRO 73 N 0.10 4.32 0.88 1.29 0.04 -1.26 -4.97 135.00 135.40 3m1y s PRO 73 Ca 0.66 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 3m1y s PRO 73 Cb -0.46 -3.60 0.12 0.00 0.04 0.00 0.00 34.50 30.60 3m1y s PRO 73 CO 0.41 -0.52 1.09 -0.51 0.04 0.00 0.00 177.00 177.52 3m1y s LEU 74 N 2.47 2.41 0.17 -3.56 1.43 -1.26 -1.07 118.68 119.27 3m1y s LEU 74 Ca 0.58 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 55.10 3m1y s LEU 74 Cb -0.26 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 41.80 3m1y s LEU 74 CO 0.22 -2.62 0.69 -0.36 0.23 0.00 0.00 176.35 174.51 3m1y s PHE 75 N -2.88 3.75 0.41 0.29 0.08 0.51 -4.48 117.98 115.66 3m1y s PHE 75 Ca 0.63 1.41 -0.27 0.00 0.12 0.00 0.00 56.93 58.83 3m1y s PHE 75 Cb -0.19 -2.62 -0.10 0.00 -0.57 0.00 0.00 43.02 39.55 3m1y s PHE 75 CO 0.57 0.45 1.44 -1.91 -0.10 0.00 0.00 175.22 175.67 3m1y n GLU 76 N 1.19 2.43 -0.27 0.44 2.13 -1.26 -1.71 120.64 123.59 3m1y n GLU 76 Ca -0.05 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.62 3m1y n GLU 76 Cb 0.50 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3m1y n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m1y n GLY 77 N 0.54 1.11 0.00 8.31 0.00 -1.26 0.25 105.19 114.14 3m1y n GLY 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3m1y n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1y n ALA 78 N -0.72 -0.11 0.04 4.61 0.00 -0.69 -1.35 120.51 122.28 3m1y n ALA 78 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3m1y n ALA 78 Cb 0.00 0.36 0.58 0.00 0.00 0.00 0.00 19.45 20.39 3m1y n ALA 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m1y h LEU 79 N 0.00 0.18 0.11 0.00 5.85 -1.93 -2.48 115.31 117.04 3m1y h LEU 79 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3m1y h LEU 79 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3m1y h LEU 79 CO 0.00 0.12 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.67 3m1y h GLU 80 N 0.21 -0.38 -0.34 1.25 5.08 -1.70 -0.62 114.58 118.08 3m1y h GLU 80 Ca 0.19 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3m1y h GLU 80 Cb 0.47 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3m1y h GLU 80 CO -0.03 -0.26 0.13 1.25 -1.00 0.00 0.00 179.01 179.10 3m1y h LEU 81 N -0.40 0.47 -0.42 1.33 6.46 -0.76 0.22 115.31 122.21 3m1y h LEU 81 Ca 0.03 -0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.67 3m1y h LEU 81 Cb 0.42 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 3m1y h LEU 81 CO -0.12 0.51 0.16 0.58 -0.62 0.00 0.00 178.44 178.95 3m1y h VAL 82 N 0.40 0.89 -0.48 1.05 2.07 -1.38 0.90 116.25 119.70 3m1y h VAL 82 Ca 0.11 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3m1y h VAL 82 Cb 0.19 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3m1y h VAL 82 CO -0.01 0.06 0.19 0.28 0.02 0.00 0.00 177.57 178.11 3m1y h SER 83 N 0.33 0.67 0.04 0.57 0.02 -0.88 -1.16 113.55 113.14 3m1y h SER 83 Ca 0.19 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3m1y h SER 83 Cb 0.16 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m1y h SER 83 CO -0.18 0.66 -0.02 0.00 -1.14 0.00 0.00 176.83 176.15 3m1y h ALA 84 N 1.03 -0.05 -0.67 3.77 0.00 0.42 -2.88 119.26 120.89 3m1y h ALA 84 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3m1y h ALA 84 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3m1y h ALA 84 CO -0.01 -0.49 0.41 -0.07 0.00 0.00 0.00 179.25 179.09 3m1y h LEU 85 N -0.12 0.66 -1.73 0.00 3.38 0.95 -2.32 115.31 116.12 3m1y h LEU 85 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3m1y h LEU 85 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3m1y h LEU 85 CO 0.01 0.46 0.08 0.11 0.09 0.00 0.00 178.44 179.18 3m1y h LYS 86 N 0.80 0.25 -0.28 1.13 1.57 -1.11 -0.96 116.57 117.97 3m1y h LYS 86 Ca 0.27 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3m1y h LYS 86 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3m1y h LYS 86 CO -0.12 0.21 -0.17 0.93 -0.57 0.00 0.00 179.45 179.73 3m1y h GLU 87 N 0.25 0.49 -0.93 3.15 5.08 -1.20 -1.92 114.58 119.50 3m1y h GLU 87 Ca 0.07 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3m1y h GLU 87 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3m1y h GLU 87 CO -0.01 0.65 0.06 1.63 -1.00 0.00 0.00 179.01 180.34 3m1y n LYS 88 N -4.17 1.73 -3.57 2.33 4.01 -0.46 -4.84 118.16 113.20 3m1y n LYS 88 Ca 0.00 -0.78 -0.22 0.00 -0.51 0.00 0.00 58.31 56.80 3m1y n LYS 88 Cb 0.35 -1.54 0.08 0.00 -0.51 0.00 0.00 35.03 33.41 3m1y n LYS 88 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3m1y n ASN 89 N 0.13 -4.82 -4.78 4.39 4.05 -0.72 -4.72 115.26 108.78 3m1y n ASN 89 Ca 0.10 -0.59 -0.36 0.00 0.45 0.00 0.00 54.58 54.19 3m1y n ASN 89 Cb 0.61 -4.97 -0.07 0.00 1.23 0.00 0.00 39.78 36.58 3m1y n ASN 89 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3m1y s TYR 90 N -3.34 3.47 -0.30 1.20 2.02 -0.65 -1.77 117.35 117.97 3m1y s TYR 90 Ca 0.40 0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 57.27 3m1y s TYR 90 Cb -0.18 -2.05 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3m1y s TYR 90 CO 0.74 0.47 0.71 0.21 -1.57 0.00 0.00 175.55 176.12 3m1y s LYS 91 N -0.26 3.95 -0.26 -0.62 2.47 0.33 -4.30 119.74 121.05 3m1y s LYS 91 Ca 0.11 0.47 -0.16 0.00 -1.56 0.00 0.00 55.97 54.83 3m1y s LYS 91 Cb -0.12 -3.72 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 3m1y s LYS 91 CO 0.01 -0.62 0.41 0.08 0.16 0.00 0.00 175.35 175.39 3m1y s VAL 92 N 2.78 5.15 0.06 4.02 1.01 -1.26 -1.36 120.40 130.80 3m1y s VAL 92 Ca 0.29 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3m1y s VAL 92 Cb -0.15 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3m1y s VAL 92 CO 0.12 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 3m1y s VAL 93 N 2.07 0.93 -0.08 2.92 1.01 -0.32 -0.81 120.40 126.13 3m1y s VAL 93 Ca 0.17 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.98 3m1y s VAL 93 Cb -0.16 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 3m1y s VAL 93 CO 0.10 -0.26 -0.22 0.00 0.00 0.00 0.00 175.10 174.72 3m1y s PHE 95 N 0.19 2.96 -0.15 0.00 0.40 0.45 -0.18 117.98 121.65 3m1y s PHE 95 Ca -0.12 -0.02 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 3m1y s PHE 95 Cb -0.16 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 41.68 3m1y s PHE 95 CO 0.06 0.28 0.36 0.45 0.70 0.00 0.00 175.22 177.08 3m1y s SER 96 N -0.65 -0.43 0.00 1.36 0.15 -0.37 -2.63 113.70 111.14 3m1y s SER 96 Ca 0.10 0.77 0.20 0.00 0.70 0.00 0.00 55.95 57.72 3m1y s SER 96 Cb -0.11 0.68 1.18 0.00 -1.71 0.00 0.00 66.02 66.06 3m1y s SER 96 CO 0.02 -0.17 1.68 0.61 1.20 0.00 0.00 173.24 176.58 3m1y n GLY 97 N 3.90 -0.87 0.00 9.45 0.00 -1.26 -4.04 105.19 112.37 3m1y n GLY 97 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3m1y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1y n GLY 98 N 0.64 1.16 3.20 -0.02 0.00 -1.26 -4.72 105.19 104.19 3m1y n GLY 98 Ca 0.15 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 3m1y n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m1y s PHE 99 N 1.22 1.76 0.53 1.61 0.08 -1.26 -1.02 117.98 120.89 3m1y s PHE 99 Ca 0.00 -0.34 0.32 0.00 0.12 0.00 0.00 56.93 57.03 3m1y s PHE 99 Cb 0.00 -1.13 1.81 0.00 -0.57 0.00 0.00 43.02 43.13 3m1y s PHE 99 CO 0.00 -0.03 2.21 0.38 -0.10 0.00 0.00 175.22 177.68 3m1y h ASP 100 N 5.67 0.00 -0.78 1.36 3.04 -1.14 -1.46 116.42 123.10 3m1y h ASP 100 Ca -0.38 0.00 0.23 0.00 -3.24 0.00 0.00 57.03 53.63 3m1y h ASP 100 Cb 1.14 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.40 3m1y h ASP 100 CO 0.48 0.04 0.58 0.25 -2.04 0.00 0.00 179.24 178.55 3m1y h LEU 101 N 0.00 0.00 0.00 0.15 5.85 -1.96 0.52 115.31 119.88 3m1y h LEU 101 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 3m1y h LEU 101 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3m1y h LEU 101 CO 0.01 0.00 -1.93 0.00 -0.34 0.00 0.00 178.44 176.17 3m1y n ALA 102 N -2.65 1.10 0.21 1.25 0.00 -0.59 -4.35 120.51 115.48 3m1y n ALA 102 Ca 0.16 -0.98 0.12 0.00 0.00 0.00 0.00 53.44 52.73 3m1y n ALA 102 Cb 0.87 0.10 0.70 0.00 0.00 0.00 0.00 19.45 21.12 3m1y n ALA 102 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3m1y h THR 103 N -0.99 0.85 -0.26 0.00 1.35 -1.21 -1.22 112.91 111.43 3m1y h THR 103 Ca -0.43 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.31 3m1y h THR 103 Cb 1.37 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3m1y h THR 103 CO -0.26 0.00 -0.36 0.78 -0.25 0.00 0.00 175.52 175.43 3m1y h ASN 104 N 0.00 0.61 0.43 5.36 2.35 -0.19 0.79 115.58 124.93 3m1y h ASN 104 Ca 0.06 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 3m1y h ASN 104 Cb 0.24 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3m1y h ASN 104 CO -0.00 0.91 -0.21 -0.74 -1.65 0.00 0.00 177.43 175.75 3m1y h HIS 105 N 0.49 -0.54 -0.09 1.19 -0.00 -1.40 -2.03 115.15 112.77 3m1y h HIS 105 Ca 0.05 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 3m1y h HIS 105 Cb 0.85 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3m1y h HIS 105 CO 0.03 -0.26 -0.25 1.88 -0.00 0.00 0.00 177.93 179.33 3m1y h TYR 106 N -0.71 0.17 -0.02 5.26 0.05 -1.49 -0.37 116.97 119.87 3m1y h TYR 106 Ca -0.06 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.71 3m1y h TYR 106 Cb 0.51 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 3m1y h TYR 106 CO -0.02 0.41 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.31 3m1y h ARG 107 N 0.15 -0.17 -0.36 4.88 2.43 -0.65 -0.75 114.38 119.91 3m1y h ARG 107 Ca 0.02 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 3m1y h ARG 107 Cb 0.54 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3m1y h ARG 107 CO 0.04 -0.11 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.61 3m1y h ASP 108 N -0.17 0.85 0.09 -3.80 3.32 -0.96 0.33 116.42 116.07 3m1y h ASP 108 Ca 0.05 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3m1y h ASP 108 Cb 0.23 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3m1y h ASP 108 CO -0.12 1.10 -0.04 0.25 -1.72 0.00 0.00 179.24 178.71 3m1y h LEU 109 N 0.67 -0.10 -0.88 1.55 5.85 -0.80 -2.59 115.31 119.02 3m1y h LEU 109 Ca 0.07 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3m1y h LEU 109 Cb 0.88 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3m1y h LEU 109 CO 0.08 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.39 3m1y n LEU 110 N -5.09 1.30 -4.00 2.25 4.32 -0.31 -4.93 117.00 110.55 3m1y n LEU 110 Ca -0.08 -0.58 -0.28 0.00 -0.02 0.00 0.00 56.01 55.04 3m1y n LEU 110 Cb 0.12 -0.11 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 3m1y n LEU 110 CO 0.33 0.29 -0.13 1.41 -1.22 0.00 0.00 177.39 178.07 3m1y n HIS 111 N 0.12 -1.77 -1.92 -1.77 8.25 -0.24 -4.92 115.22 112.97 3m1y n HIS 111 Ca 0.13 0.79 -0.34 0.00 -0.26 0.00 0.00 57.72 58.04 3m1y n HIS 111 Cb 0.25 -3.62 0.03 0.00 1.12 0.00 0.00 29.99 27.77 3m1y n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m1y s LEU 112 N -7.06 3.51 0.38 2.41 1.02 0.98 -4.92 118.68 115.00 3m1y s LEU 112 Ca 0.26 2.05 0.14 0.00 0.02 0.00 0.00 54.13 56.60 3m1y s LEU 112 Cb -0.14 -4.56 0.75 0.00 0.02 0.00 0.00 46.19 42.26 3m1y s LEU 112 CO 0.89 -1.49 1.83 0.44 0.02 0.00 0.00 176.35 178.04 3m1y h ASP 113 N 0.41 0.00 -5.30 2.29 3.32 -1.29 -3.45 116.42 112.39 3m1y h ASP 113 Ca -0.48 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.75 3m1y h ASP 113 Cb 1.25 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.72 3m1y h ASP 113 CO 0.55 0.37 0.49 0.00 -1.72 0.00 0.00 179.24 178.93 3m1y s ALA 114 N -4.12 -1.68 -0.24 3.45 0.00 -1.22 -5.04 121.76 112.91 3m1y s ALA 114 Ca -0.02 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 3m1y s ALA 114 Cb 0.14 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.96 3m1y s ALA 114 CO 0.71 -1.03 0.58 0.00 0.00 0.00 0.00 175.76 176.03 3m1y s ALA 115 N -3.25 -1.59 -0.18 0.00 0.00 -1.26 -2.03 121.76 113.44 3m1y s ALA 115 Ca 0.12 2.08 -0.00 0.00 0.00 0.00 0.00 51.96 54.16 3m1y s ALA 115 Cb -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3m1y s ALA 115 CO 0.02 -0.44 -0.16 -0.06 0.00 0.00 0.00 175.76 175.12 3m1y s PHE 116 N 1.78 2.81 0.00 0.00 0.08 0.75 -4.95 117.98 118.45 3m1y s PHE 116 Ca -0.09 -1.44 0.00 0.00 0.12 0.00 0.00 56.93 55.53 3m1y s PHE 116 Cb -0.07 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 3m1y s PHE 116 CO -0.17 -0.72 0.00 0.43 -0.10 0.00 0.00 175.22 174.66 3m1y n SER 117 N 4.59 0.04 -4.96 1.36 7.64 -1.26 -1.23 113.62 119.80 3m1y n SER 117 Ca -0.20 -0.94 -0.19 0.00 1.01 0.00 0.00 58.87 58.54 3m1y n SER 117 Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3m1y n SER 117 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3m1y s ASN 118 N -0.89 5.34 -0.04 6.43 0.01 -0.19 -3.74 114.94 121.87 3m1y s ASN 118 Ca 0.00 -0.62 0.05 0.00 -0.71 0.00 0.00 52.86 51.59 3m1y s ASN 118 Cb 0.00 -0.49 -0.01 0.00 0.41 0.00 0.00 41.25 41.16 3m1y s ASN 118 CO 0.00 -0.79 -0.20 -0.89 -1.51 0.00 0.00 177.10 173.71 3m1y s THR 119 N -2.44 1.64 -0.32 1.60 2.01 0.14 -0.57 115.64 117.69 3m1y s THR 119 Ca 0.52 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 3m1y s THR 119 Cb -0.07 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3m1y s THR 119 CO 0.31 0.46 0.60 -0.76 -0.69 0.00 0.00 174.62 174.55 3m1y s LEU 120 N -0.15 4.19 0.34 4.42 1.43 -1.26 -1.70 118.68 125.94 3m1y s LEU 120 Ca -0.01 0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 53.12 3m1y s LEU 120 Cb -0.11 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 3m1y s LEU 120 CO 0.02 -0.48 1.22 -0.63 0.23 0.00 0.00 176.35 176.70 3m1y s ILE 121 N 2.57 3.01 -0.07 -0.59 1.01 -0.68 -4.93 121.20 121.51 3m1y s ILE 121 Ca 0.23 0.96 0.05 0.00 0.00 0.00 0.00 60.65 61.90 3m1y s ILE 121 Cb -0.15 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3m1y s ILE 121 CO 0.12 0.19 -0.25 -0.69 0.00 0.00 0.00 174.94 174.32 3m1y s VAL 122 N -1.22 2.06 -0.10 2.92 1.01 -1.26 -0.83 120.40 122.98 3m1y s VAL 122 Ca 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3m1y s VAL 122 Cb -0.35 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3m1y s VAL 122 CO 0.46 0.57 -0.09 -0.70 0.00 0.00 0.00 175.10 175.34 3m1y s GLU 123 N -0.02 1.62 -1.38 2.72 2.56 -0.20 -4.82 118.70 119.18 3m1y s GLU 123 Ca -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 54.97 54.57 3m1y s GLU 123 Cb -0.15 -1.57 0.00 0.00 2.00 0.00 0.00 34.13 34.42 3m1y s GLU 123 CO 0.05 -0.18 0.50 0.09 -0.56 0.00 0.00 175.26 175.16 3m1y n ASN 124 N 4.61 -0.59 -0.94 -1.70 3.02 -1.26 -1.83 115.26 116.56 3m1y n ASN 124 Ca -0.16 -0.95 -0.12 0.00 -0.03 0.00 0.00 54.58 53.32 3m1y n ASN 124 Cb 0.50 -3.34 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 3m1y n ASN 124 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3m1y n ASP 125 N -3.00 -5.35 -4.11 6.41 8.00 -1.26 -4.98 116.55 112.25 3m1y n ASP 125 Ca -0.30 0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3m1y n ASP 125 Cb 0.68 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 37.74 3m1y n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m1y s ALA 126 N -2.17 0.76 0.28 2.24 0.00 -0.76 -1.30 121.76 120.82 3m1y s ALA 126 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 3m1y s ALA 126 Cb 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 23.07 3m1y s ALA 126 CO 0.00 -0.07 1.61 1.28 0.00 0.00 0.00 175.76 178.59 3m1y n LEU 127 N 0.98 4.33 0.13 0.00 4.32 -1.26 -1.04 117.00 124.45 3m1y n LEU 127 Ca -0.19 1.14 -0.02 0.00 -0.02 0.00 0.00 56.01 56.92 3m1y n LEU 127 Cb 0.56 -1.59 0.12 0.00 -1.62 0.00 0.00 43.42 40.89 3m1y n LEU 127 CO 0.24 0.16 0.44 -1.13 -1.22 0.00 0.00 177.39 175.88 3m1y h ASN 128 N 5.04 0.00 0.00 -1.43 -0.73 -1.30 -0.27 115.58 116.88 3m1y h ASN 128 Ca -0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 3m1y h ASN 128 Cb 1.22 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.81 3m1y h ASN 128 CO 0.81 0.67 0.00 0.61 -0.37 0.00 0.00 177.43 179.15 3m1y n GLY 129 N 0.51 0.14 3.76 1.57 0.00 -1.26 -4.74 105.19 105.17 3m1y n GLY 129 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3m1y n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1y s LEU 130 N 0.00 3.64 -0.01 0.99 1.02 -1.26 -2.16 118.68 120.91 3m1y s LEU 130 Ca 0.00 -0.26 -0.09 0.00 0.02 0.00 0.00 54.13 53.81 3m1y s LEU 130 Cb 0.00 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.98 3m1y s LEU 130 CO 0.00 0.05 0.17 0.54 0.02 0.00 0.00 176.35 177.13 3m1y s VAL 131 N -1.87 0.07 0.30 -1.59 0.11 -1.26 -1.69 120.40 114.47 3m1y s VAL 131 Ca 0.31 -0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 58.68 3m1y s VAL 131 Cb -0.09 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3m1y s VAL 131 CO 0.22 -0.31 0.55 0.28 -3.33 0.00 0.00 175.10 172.51 3m1y s THR 132 N -1.18 0.00 -5.00 5.04 -1.32 -0.69 -4.98 115.64 107.51 3m1y s THR 132 Ca -0.13 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 3m1y s THR 132 Cb -0.06 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 3m1y s THR 132 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3m1y n GLY 133 N -0.47 0.98 1.75 6.08 0.00 -1.26 0.24 105.19 112.51 3m1y n GLY 133 Ca -0.02 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3m1y n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m1y n HIS 134 N 9.00 0.00 -0.87 1.61 8.25 -1.25 -5.01 115.22 126.96 3m1y n HIS 134 Ca 0.00 -0.24 0.05 0.00 -0.26 0.00 0.00 57.72 57.27 3m1y n HIS 134 Cb 0.00 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 3m1y n HIS 134 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m1y n PHE 137 N 1.73 -2.36 0.31 4.41 3.72 -1.26 -4.94 117.46 119.08 3m1y n PHE 137 Ca 0.00 1.29 0.04 0.00 -0.05 0.00 0.00 57.45 58.73 3m1y n PHE 137 Cb 0.13 -2.16 0.19 0.00 -0.94 0.00 0.00 39.48 36.70 3m1y n PHE 137 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3m1y n SER 138 N -2.75 0.00 -0.65 4.37 3.41 -1.26 -0.92 113.62 115.82 3m1y n SER 138 Ca -0.03 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.13 3m1y n SER 138 Cb 0.34 -0.49 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 3m1y n SER 138 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3m1y n HIS 139 N -1.49 0.24 0.09 7.33 8.25 -1.26 -4.58 115.22 123.81 3m1y n HIS 139 Ca 0.02 -0.21 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 3m1y n HIS 139 Cb 0.10 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 3m1y n HIS 139 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3m1y h SER 140 N 2.60 -0.39 -0.77 0.41 0.02 -1.39 -2.46 113.55 111.56 3m1y h SER 140 Ca 0.00 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 3m1y h SER 140 Cb 0.66 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 3m1y h SER 140 CO 0.00 -0.21 0.40 0.11 -1.14 0.00 0.00 176.83 175.99 3m1y h LYS 141 N -0.28 0.62 0.26 3.45 1.57 -1.82 -2.57 116.57 117.80 3m1y h LYS 141 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3m1y h LYS 141 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3m1y h LYS 141 CO -0.08 0.41 -0.13 0.78 -0.57 0.00 0.00 179.45 179.87 3m1y h GLY 142 N 0.64 -0.37 -1.81 3.86 0.00 -1.68 -0.43 103.07 103.29 3m1y h GLY 142 Ca 0.39 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3m1y h GLY 142 CO -0.29 -0.13 0.00 1.18 0.00 0.00 0.00 176.54 177.29 3m1y n GLU 143 N -5.17 0.00 0.00 4.80 1.02 -0.94 -1.43 120.64 118.92 3m1y n GLU 143 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3m1y n GLU 143 Cb 0.21 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3m1y n GLU 143 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m1y n LEU 145 N 0.72 0.00 0.06 -4.62 7.94 -0.17 -1.91 117.00 119.01 3m1y n LEU 145 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3m1y n LEU 145 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3m1y n LEU 145 CO 0.00 0.00 0.85 -0.07 -1.11 0.00 0.00 177.39 177.06 3m1y h LEU 146 N 0.00 -0.07 -0.86 -1.96 4.07 -1.51 0.14 115.31 115.12 3m1y h LEU 146 Ca 0.00 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.05 3m1y h LEU 146 Cb 0.00 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 3m1y h LEU 146 CO 0.00 -0.05 0.52 0.58 -1.08 0.00 0.00 178.44 178.41 3m1y h VAL 147 N -0.07 0.96 0.21 1.22 2.07 -1.66 -1.06 116.25 117.92 3m1y h VAL 147 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3m1y h VAL 147 Cb 0.06 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3m1y h VAL 147 CO -0.01 0.16 -0.10 -0.07 0.02 0.00 0.00 177.57 177.58 3m1y h LEU 148 N 0.89 -0.24 -0.62 2.57 4.07 -1.73 -0.31 115.31 119.94 3m1y h LEU 148 Ca 0.40 -0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.34 3m1y h LEU 148 Cb 0.30 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 3m1y h LEU 148 CO -0.22 -0.04 0.27 1.56 -1.08 0.00 0.00 178.44 178.94 3m1y h GLN 149 N -0.43 0.48 -0.45 1.13 4.20 -0.25 -0.20 115.11 119.59 3m1y h GLN 149 Ca -0.03 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3m1y h GLN 149 Cb 0.33 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3m1y h GLN 149 CO 0.05 0.32 0.02 -0.09 -0.67 0.00 0.00 178.83 178.46 3m1y h ARG 150 N 0.49 0.77 -0.47 1.46 9.65 -1.14 0.39 114.38 125.54 3m1y h ARG 150 Ca 0.30 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3m1y h ARG 150 Cb 0.32 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3m1y h ARG 150 CO -0.26 0.82 0.26 1.25 2.80 0.00 0.00 179.97 184.84 3m1y h LEU 151 N 0.62 0.59 0.00 3.80 5.85 -0.12 -2.80 115.31 123.25 3m1y h LEU 151 Ca 0.13 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3m1y h LEU 151 Cb 0.46 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3m1y h LEU 151 CO 0.02 0.51 -0.66 0.18 -0.34 0.00 0.00 178.44 178.14 3m1y n LEU 152 N -4.68 0.61 -2.81 2.25 4.77 -0.17 -4.96 117.00 112.00 3m1y n LEU 152 Ca 0.02 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 3m1y n LEU 152 Cb 0.08 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3m1y n LEU 152 CO 0.36 0.03 0.12 -3.20 -1.33 0.00 0.00 177.39 173.37 3m1y n ASN 153 N -1.87 -3.20 -4.52 -1.43 5.15 0.12 -5.02 115.26 104.49 3m1y n ASN 153 Ca 0.04 -0.44 -0.34 0.00 -0.60 0.00 0.00 54.58 53.24 3m1y n ASN 153 Cb 0.40 -3.93 -0.12 0.00 -0.53 0.00 0.00 39.78 35.60 3m1y n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m1y s ILE 154 N -3.26 3.79 0.75 -1.44 1.01 -0.16 -5.02 121.20 116.88 3m1y s ILE 154 Ca 0.16 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3m1y s ILE 154 Cb -0.07 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3m1y s ILE 154 CO 0.55 0.53 1.11 -0.94 0.00 0.00 0.00 174.94 176.18 3m1y s SER 155 N -0.01 4.97 0.21 3.58 1.04 -1.26 -4.62 113.70 117.61 3m1y s SER 155 Ca 0.00 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.52 3m1y s SER 155 Cb -0.13 -1.90 0.17 0.00 0.10 0.00 0.00 66.02 64.25 3m1y s SER 155 CO 0.03 -1.65 1.74 0.50 0.98 0.00 0.00 173.24 174.84 3m1y h LYS 156 N -0.87 1.11 -0.93 4.02 3.64 -1.96 -2.59 116.57 119.00 3m1y h LYS 156 Ca -0.46 -0.25 0.19 0.00 -1.27 0.00 0.00 60.65 58.86 3m1y h LYS 156 Cb 1.27 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.86 3m1y h LYS 156 CO 0.62 0.96 0.60 1.15 -2.27 0.00 0.00 179.45 180.52 3m1y h THR 157 N 1.06 0.71 -0.49 1.00 2.02 -1.93 0.10 112.91 115.38 3m1y h THR 157 Ca 0.22 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3m1y h THR 157 Cb 0.34 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3m1y h THR 157 CO -0.00 0.10 0.00 0.59 0.37 0.00 0.00 175.52 176.58 3m1y n ASN 158 N -4.58 2.76 -4.75 4.18 3.02 -0.98 -4.63 115.26 110.28 3m1y n ASN 158 Ca 0.20 -2.04 -0.36 0.00 -0.03 0.00 0.00 54.58 52.35 3m1y n ASN 158 Cb 0.63 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 3m1y n ASN 158 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m1y s THR 159 N -1.38 5.33 -0.15 3.41 2.01 0.34 -2.06 115.64 123.14 3m1y s THR 159 Ca 0.34 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3m1y s THR 159 Cb 0.18 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 69.13 3m1y s THR 159 CO 0.22 0.44 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.16 3m1y s LEU 160 N 0.17 2.14 -0.02 4.42 0.20 0.10 -2.20 118.68 123.49 3m1y s LEU 160 Ca 0.15 -0.61 0.05 0.00 0.69 0.00 0.00 54.13 54.41 3m1y s LEU 160 Cb -0.13 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 3m1y s LEU 160 CO 0.03 0.06 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.29 3m1y s VAL 161 N 0.93 2.84 -0.11 1.68 1.01 0.11 -0.86 120.40 126.00 3m1y s VAL 161 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3m1y s VAL 161 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3m1y s VAL 161 CO -0.05 0.53 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3m1y s VAL 162 N -0.76 0.75 0.27 2.92 1.01 -0.48 0.23 120.40 124.33 3m1y s VAL 162 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3m1y s VAL 162 Cb -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3m1y s VAL 162 CO 0.01 0.25 0.38 -0.83 0.00 0.00 0.00 175.10 174.92 3m1y s GLY 163 N 1.81 1.13 0.00 4.51 0.00 -0.23 -1.52 107.32 113.02 3m1y s GLY 163 Ca 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3m1y s GLY 163 CO -0.07 -0.97 0.00 2.09 0.00 0.00 0.00 173.10 174.15 3m1y n ASP 164 N -0.72 0.52 -4.71 1.64 5.68 -1.26 -0.79 116.55 116.92 3m1y n ASP 164 Ca 0.00 -0.14 -0.31 0.00 -0.50 0.00 0.00 54.79 53.85 3m1y n ASP 164 Cb 0.63 0.38 -0.09 0.00 -1.14 0.00 0.00 41.12 40.90 3m1y n ASP 164 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3m1y s GLY 165 N -0.49 2.81 0.32 6.12 0.00 -1.26 -1.89 107.32 112.93 3m1y s GLY 165 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.59 3m1y s GLY 165 CO 0.00 -2.15 1.82 0.00 0.00 0.00 0.00 173.10 172.77 3m1y h ALA 166 N 1.51 1.29 0.00 3.20 0.00 -1.95 -1.86 119.26 121.45 3m1y h ALA 166 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3m1y h ALA 166 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m1y h ALA 166 CO 0.77 0.47 0.11 -2.95 0.00 0.00 0.00 179.25 177.65 3m1y h ASN 167 N 0.45 0.00 0.36 0.00 -1.07 -1.96 -0.14 115.58 113.22 3m1y h ASN 167 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.46 3m1y h ASN 167 Cb 0.45 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.70 3m1y h ASN 167 CO 0.02 0.00 -0.13 0.47 0.07 0.00 0.00 177.43 177.87 3m1y n ASP 168 N -2.63 0.53 0.18 6.14 8.00 -0.70 -3.76 116.55 124.31 3m1y n ASP 168 Ca -0.02 -0.59 0.04 0.00 0.71 0.00 0.00 54.79 54.93 3m1y n ASP 168 Cb 0.15 -0.05 0.47 0.00 -0.02 0.00 0.00 41.12 41.67 3m1y n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3m1y h LEU 169 N 0.63 0.10 -0.71 0.64 3.38 -1.17 -2.17 115.31 116.02 3m1y h LEU 169 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m1y h LEU 169 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3m1y h LEU 169 CO 0.00 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3m1y n SER 170 N -4.33 0.00 0.00 -0.43 3.41 -1.25 -1.86 113.62 109.16 3m1y n SER 170 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3m1y n SER 170 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3m1y n SER 170 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3m1y n PHE 172 N 0.19 0.00 0.14 7.33 3.01 -0.82 -4.11 117.46 123.20 3m1y n PHE 172 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 3m1y n PHE 172 Cb 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 3m1y n PHE 172 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3m1y n LYS 173 N 0.00 0.03 -1.01 -1.08 5.02 -0.78 -1.93 118.16 118.41 3m1y n LYS 173 Ca 0.00 0.30 0.05 0.00 -2.02 0.00 0.00 58.31 56.64 3m1y n LYS 173 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.62 3m1y n LYS 173 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3m1y n HIS 174 N -1.34 0.00 -4.23 2.13 8.25 -1.26 -5.06 115.22 113.71 3m1y n HIS 174 Ca 0.01 -0.95 -0.21 0.00 -0.26 0.00 0.00 57.72 56.32 3m1y n HIS 174 Cb 0.03 -0.19 -0.12 0.00 1.12 0.00 0.00 29.99 30.83 3m1y n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 175 N -1.54 1.49 -0.13 -1.41 0.00 -0.81 -4.71 121.76 114.64 3m1y s ALA 175 Ca 0.34 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 3m1y s ALA 175 Cb 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 3m1y s ALA 175 CO -0.11 0.24 0.10 1.25 0.00 0.00 0.00 175.76 177.23 3m1y h HIS 176 N 4.09 0.00 -3.17 0.00 2.76 -1.22 -3.43 115.15 114.18 3m1y h HIS 176 Ca -0.43 0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 57.04 3m1y h HIS 176 Cb 1.19 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 29.96 3m1y h HIS 176 CO 0.63 0.37 0.01 0.42 -1.30 0.00 0.00 177.93 178.06 3m1y s ILE 177 N -1.99 4.91 -0.34 6.26 1.01 -0.93 -4.99 121.20 125.13 3m1y s ILE 177 Ca -0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3m1y s ILE 177 Cb 0.01 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 38.16 3m1y s ILE 177 CO 0.26 -0.86 0.18 -0.54 0.00 0.00 0.00 174.94 173.98 3m1y s LYS 178 N 2.50 3.13 -0.20 2.79 1.02 -1.26 0.09 119.74 127.81 3m1y s LYS 178 Ca 0.13 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 3m1y s LYS 178 Cb -0.21 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3m1y s LYS 178 CO 0.10 -0.54 -0.03 0.42 -0.92 0.00 0.00 175.35 174.37 3m1y s ILE 179 N 1.60 3.62 -0.68 2.17 -1.09 0.13 -1.04 121.20 125.91 3m1y s ILE 179 Ca 0.04 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.88 3m1y s ILE 179 Cb -0.18 -2.63 0.17 0.00 -1.58 0.00 0.00 42.46 38.24 3m1y s ILE 179 CO 0.07 0.44 0.64 0.00 -1.23 0.00 0.00 174.94 174.85 3m1y s ALA 180 N 1.11 3.83 -0.54 9.38 0.00 -0.74 -1.07 121.76 133.72 3m1y s ALA 180 Ca 0.02 -2.88 -0.27 0.00 0.00 0.00 0.00 51.96 48.83 3m1y s ALA 180 Cb -0.15 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3m1y s ALA 180 CO 0.00 -2.16 1.07 0.12 0.00 0.00 0.00 175.76 174.79 3m1y s PHE 181 N 1.02 2.74 -1.42 0.00 5.36 0.03 -2.47 117.98 123.25 3m1y s PHE 181 Ca 0.10 0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 56.28 3m1y s PHE 181 Cb -0.21 -4.30 0.02 0.00 -0.34 0.00 0.00 43.02 38.19 3m1y s PHE 181 CO -0.02 -1.40 0.28 0.09 -1.46 0.00 0.00 175.22 172.71 3m1y n ASN 182 N 7.89 -1.02 -4.83 6.13 3.02 0.59 -4.41 115.26 122.63 3m1y n ASN 182 Ca 0.07 -1.27 -0.22 0.00 -0.03 0.00 0.00 54.58 53.13 3m1y n ASN 182 Cb 0.48 -1.74 0.09 0.00 -0.61 0.00 0.00 39.78 38.00 3m1y n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1y s ALA 183 N -4.04 4.13 0.40 5.41 0.00 -1.26 -4.92 121.76 121.48 3m1y s ALA 183 Ca 0.18 -1.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.03 3m1y s ALA 183 Cb -0.10 -1.78 -0.11 0.00 0.00 0.00 0.00 23.12 21.14 3m1y s ALA 183 CO 0.98 -1.18 0.94 0.15 0.00 0.00 0.00 175.76 176.66 3m1y s LYS 184 N -4.92 4.33 0.32 0.00 3.01 -0.79 -4.87 119.74 116.81 3m1y s LYS 184 Ca 0.64 1.17 0.09 0.00 -1.01 0.00 0.00 55.97 56.86 3m1y s LYS 184 Cb -0.06 -2.37 0.91 0.00 -1.01 0.00 0.00 37.83 35.31 3m1y s LYS 184 CO 0.42 0.07 1.68 0.93 0.51 0.00 0.00 175.35 178.95 3m1y h GLU 185 N 2.29 0.34 -0.93 1.68 4.39 -1.98 -0.09 114.58 120.28 3m1y h GLU 185 Ca -0.48 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.32 3m1y h GLU 185 Cb 1.18 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 3m1y h GLU 185 CO 0.62 0.23 0.59 0.28 -1.16 0.00 0.00 179.01 179.57 3m1y h VAL 186 N 0.35 0.91 0.23 3.13 2.07 -1.97 0.14 116.25 121.11 3m1y h VAL 186 Ca 0.65 -0.30 -0.33 0.00 0.82 0.00 0.00 66.70 67.55 3m1y h VAL 186 Cb 1.37 -0.03 0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3m1y h VAL 186 CO -0.58 0.16 -1.45 0.25 0.02 0.00 0.00 177.57 175.97 3m1y h LEU 187 N 0.86 0.78 -1.63 2.57 7.12 -1.34 -3.23 115.31 120.44 3m1y h LEU 187 Ca 0.45 -0.83 0.13 0.00 0.13 0.00 0.00 57.88 57.76 3m1y h LEU 187 Cb 0.53 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.37 3m1y h LEU 187 CO -0.21 1.65 0.46 0.11 -0.13 0.00 0.00 178.44 180.32 3m1y h LYS 188 N 0.14 0.37 -0.79 1.25 1.57 -0.53 -2.36 116.57 116.21 3m1y h LYS 188 Ca -0.24 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3m1y h LYS 188 Cb 2.14 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.33 3m1y h LYS 188 CO 0.27 0.24 0.52 0.37 -0.57 0.00 0.00 179.45 180.28 3m1y h GLN 189 N 0.38 1.03 -0.29 3.15 5.75 -1.02 -2.30 115.11 121.80 3m1y h GLN 189 Ca 0.33 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3m1y h GLN 189 Cb 0.77 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.09 3m1y h GLN 189 CO -0.10 0.68 0.00 0.72 -2.65 0.00 0.00 178.83 177.48 3m1y n HIS 190 N -4.54 0.38 -1.17 3.99 8.25 -0.93 -4.97 115.22 116.22 3m1y n HIS 190 Ca 0.08 -0.19 -0.28 0.00 -0.26 0.00 0.00 57.72 57.07 3m1y n HIS 190 Cb 0.03 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.32 3m1y n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 191 N -1.62 0.89 0.00 -1.41 0.00 -0.87 -4.93 121.76 113.82 3m1y s ALA 191 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3m1y s ALA 191 Cb 0.20 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3m1y s ALA 191 CO 0.28 -2.90 0.00 2.41 0.00 0.00 0.00 175.76 175.55 3m1y n THR 192 N -4.21 0.00 -3.71 0.00 -1.04 -0.21 -4.98 114.28 100.12 3m1y n THR 192 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 3m1y n THR 192 Cb 0.57 -0.15 -0.09 0.00 -1.82 0.00 0.00 70.33 68.84 3m1y n THR 192 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3m1y s HIS 193 N -1.84 -0.51 0.05 -1.42 3.76 -1.11 -4.99 115.29 109.23 3m1y s HIS 193 Ca 0.00 1.24 0.09 0.00 -0.15 0.00 0.00 55.06 56.24 3m1y s HIS 193 Cb 0.00 0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.83 3m1y s HIS 193 CO 0.00 -0.25 -0.25 0.00 -0.85 0.00 0.00 174.74 173.39 3m1y s ILE 195 N -0.83 1.42 -0.41 0.00 -1.09 -1.03 -4.98 121.20 114.28 3m1y s ILE 195 Ca 0.12 -1.37 0.04 0.00 -2.23 0.00 0.00 60.65 57.21 3m1y s ILE 195 Cb -0.10 -1.84 0.62 0.00 -1.58 0.00 0.00 42.46 39.57 3m1y s ILE 195 CO 0.03 -0.31 1.83 0.59 -1.23 0.00 0.00 174.94 175.85 3m1y n ASN 196 N 4.68 3.79 -3.95 3.58 4.13 -1.26 -0.30 115.26 125.93 3m1y n ASN 196 Ca -0.07 -3.44 -0.24 0.00 1.68 0.00 0.00 54.58 52.51 3m1y n ASN 196 Cb 0.44 -0.80 -0.17 0.00 -1.54 0.00 0.00 39.78 37.70 3m1y n ASN 196 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3m1y s GLU 197 N -3.01 1.38 0.00 3.52 2.56 -1.26 -4.97 118.70 116.92 3m1y s GLU 197 Ca 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 54.97 55.23 3m1y s GLU 197 Cb 0.44 -1.29 -0.00 0.00 2.00 0.00 0.00 34.13 35.27 3m1y s GLU 197 CO 0.10 -0.10 0.30 -0.35 -0.56 0.00 0.00 175.26 174.66 3m1y n PRO 198 N 4.25 0.13 -3.91 4.30 -0.04 -1.26 -4.60 135.00 133.87 3m1y n PRO 198 Ca -0.20 -0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 62.97 3m1y n PRO 198 Cb 0.51 -1.45 -0.17 0.00 -0.04 0.00 0.00 33.50 32.35 3m1y n PRO 198 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m1y s ASP 199 N 2.09 2.54 0.25 3.54 -1.08 -1.26 -4.04 116.67 118.70 3m1y s ASP 199 Ca 0.01 -0.49 0.26 0.00 -0.52 0.00 0.00 52.55 51.80 3m1y s ASP 199 Cb 0.00 -0.91 0.75 0.00 -1.46 0.00 0.00 42.92 41.31 3m1y s ASP 199 CO 0.00 -0.14 1.75 -0.07 0.52 0.00 0.00 175.17 177.23 3m1y h LEU 200 N 8.14 0.00 -0.07 -1.34 3.38 -0.46 -3.20 115.31 121.76 3m1y h LEU 200 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3m1y h LEU 200 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3m1y h LEU 200 CO 0.42 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3m1y n ALA 201 N -1.84 1.92 0.51 1.53 0.00 -1.26 -2.78 120.51 118.60 3m1y n ALA 201 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3m1y n ALA 201 Cb 0.44 -1.34 0.29 0.00 0.00 0.00 0.00 19.45 18.84 3m1y n ALA 201 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m1y n LEU 202 N -1.61 0.00 0.11 0.00 4.32 -1.21 -1.92 117.00 116.69 3m1y n LEU 202 Ca 0.05 0.40 0.12 0.00 -0.02 0.00 0.00 56.01 56.55 3m1y n LEU 202 Cb 0.25 -0.40 0.06 0.00 -1.62 0.00 0.00 43.42 41.71 3m1y n LEU 202 CO 0.20 -0.23 0.19 0.40 -1.22 0.00 0.00 177.39 176.73 3m1y h ILE 203 N 0.00 0.00 -0.98 -0.08 5.03 -1.79 -3.38 117.51 116.32 3m1y h ILE 203 Ca 0.00 -0.90 0.21 0.00 -0.12 0.00 0.00 64.86 64.05 3m1y h ILE 203 Cb 0.17 1.48 -0.11 0.00 -3.03 0.00 0.00 36.82 35.32 3m1y h ILE 203 CO 0.00 0.00 0.56 0.11 -0.68 0.00 0.00 178.15 178.14 3m1y h LYS 204 N 0.00 0.62 0.00 2.37 1.57 -1.61 0.12 116.57 119.64 3m1y h LYS 204 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3m1y h LYS 204 Cb 0.95 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3m1y h LYS 204 CO 0.00 0.41 0.00 -2.30 -0.57 0.00 0.00 179.45 176.99 3m1y n PRO 205 N -4.86 0.14 0.04 3.15 -0.02 -1.26 -2.06 135.00 130.12 3m1y n PRO 205 Ca 0.24 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3m1y n PRO 205 Cb 0.63 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 3m1y n PRO 205 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3m1y n LEU 206 N -2.08 0.42 -0.22 2.45 4.32 0.39 -5.24 117.00 117.04 3m1y n LEU 206 Ca 0.01 0.09 0.15 0.00 -0.02 0.00 0.00 56.01 56.24 3m1y n LEU 206 Cb 0.15 -0.04 0.76 0.00 -1.62 0.00 0.00 43.42 42.67 3m1y n LEU 206 CO 0.14 -0.05 1.00 -0.38 -1.22 0.00 0.00 177.39 176.89