#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1j n GLN 14 N 0.00 3.30 -3.74 0.11 0.00 -1.26 -4.93 117.38 110.87 3a1j n GLN 14 Ca 0.00 -3.38 -0.37 0.00 -0.00 0.00 0.00 57.00 53.26 3a1j n GLN 14 Cb 0.00 -3.16 -0.12 0.00 0.00 0.00 0.00 30.24 26.96 3a1j n GLN 14 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3a1j s TYR 15 N 2.12 3.10 0.28 3.69 2.02 -1.26 -4.67 117.35 122.62 3a1j s TYR 15 Ca 0.45 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.69 3a1j s TYR 15 Cb 0.06 -2.25 0.36 0.00 -0.40 0.00 0.00 41.96 39.72 3a1j s TYR 15 CO 0.00 -0.36 1.94 0.77 -1.57 0.00 0.00 175.55 176.33 3a1j h SER 16 N 8.25 1.04 -3.73 2.29 0.02 -0.56 -3.38 113.55 117.48 3a1j h SER 16 Ca -0.38 -0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.20 3a1j h SER 16 Cb 1.17 -0.26 -0.31 0.00 0.14 0.00 0.00 62.40 63.15 3a1j h SER 16 CO 0.58 0.76 -0.75 -0.22 -1.14 0.00 0.00 176.83 176.06 3a1j s LEU 17 N -9.99 1.71 -0.03 5.07 2.96 -0.98 -0.93 118.68 116.49 3a1j s LEU 17 Ca -0.12 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3a1j s LEU 17 Cb 0.18 -0.28 0.03 0.00 0.50 0.00 0.00 46.19 46.62 3a1j s LEU 17 CO 0.81 0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 175.21 3a1j s VAL 18 N 0.31 -0.06 0.02 1.68 1.01 -0.66 -1.36 120.40 121.33 3a1j s VAL 18 Ca -0.03 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 3a1j s VAL 18 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.20 3a1j s VAL 18 CO -0.00 0.09 0.17 0.00 0.00 0.00 0.00 175.10 175.36 3a1j s ALA 19 N 1.13 -0.37 0.01 5.51 0.00 -1.25 -1.02 121.76 125.75 3a1j s ALA 19 Ca -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 3a1j s ALA 19 Cb -0.13 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3a1j s ALA 19 CO -0.04 -0.27 0.10 -1.12 0.00 0.00 0.00 175.76 174.43 3a1j s SER 20 N -1.66 0.07 -0.11 0.00 0.01 0.43 -4.17 113.70 108.27 3a1j s SER 20 Ca -0.11 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 3a1j s SER 20 Cb -0.05 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.41 3a1j s SER 20 CO -0.00 -0.36 0.27 -0.76 0.41 0.00 0.00 173.24 172.80 3a1j s LEU 21 N -1.43 0.58 0.01 2.44 1.43 0.78 -1.38 118.68 121.11 3a1j s LEU 21 Ca -0.15 0.57 0.26 0.00 -1.03 0.00 0.00 54.13 53.78 3a1j s LEU 21 Cb -0.08 0.88 1.09 0.00 0.03 0.00 0.00 46.19 48.11 3a1j s LEU 21 CO 0.01 -0.14 1.82 0.47 0.23 0.00 0.00 176.35 178.74 3a1j n ASP 22 N 3.72 0.04 -3.49 2.29 10.43 -1.26 0.19 116.55 128.47 3a1j n ASP 22 Ca -0.20 0.51 -0.24 0.00 2.57 0.00 0.00 54.79 57.42 3a1j n ASP 22 Cb 0.55 -0.52 -0.13 0.00 1.84 0.00 0.00 41.12 42.87 3a1j n ASP 22 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3a1j s ASN 23 N -3.08 2.77 0.44 -2.24 3.84 -1.25 -4.08 114.94 111.33 3a1j s ASN 23 Ca 0.12 -1.05 0.20 0.00 0.21 0.00 0.00 52.86 52.35 3a1j s ASN 23 Cb 0.17 -0.01 1.16 0.00 -0.55 0.00 0.00 41.25 42.01 3a1j s ASN 23 CO 0.48 -0.42 1.87 -0.37 -2.79 0.00 0.00 177.10 175.87 3a1j h VAL 24 N 6.35 0.66 0.00 -5.21 -1.51 -1.40 -0.81 116.25 114.34 3a1j h VAL 24 Ca -0.17 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3a1j h VAL 24 Cb 1.04 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3a1j h VAL 24 CO 0.39 0.06 0.19 0.03 -1.23 0.00 0.00 177.57 177.02 3a1j h ARG 25 N 0.32 0.00 0.00 5.19 3.08 -1.91 0.43 114.38 121.49 3a1j h ARG 25 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3a1j h ARG 25 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3a1j h ARG 25 CO -0.14 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.85 3a1j n ASN 26 N -2.69 0.00 0.05 7.04 3.02 -0.31 -2.60 115.26 119.76 3a1j n ASN 26 Ca -0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3a1j n ASN 26 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3a1j n ASN 26 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3a1j n LEU 27 N -0.88 0.30 -0.32 3.41 7.94 0.13 -4.79 117.00 122.79 3a1j n LEU 27 Ca 0.17 0.15 0.09 0.00 -1.11 0.00 0.00 56.01 55.30 3a1j n LEU 27 Cb 0.08 -0.02 0.30 0.00 0.53 0.00 0.00 43.42 44.31 3a1j n LEU 27 CO 0.13 -0.49 1.23 0.77 -1.11 0.00 0.00 177.39 177.91 3a1j h SER 28 N 0.00 0.82 -0.02 1.96 4.64 -1.08 -1.79 113.55 118.08 3a1j h SER 28 Ca 0.00 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3a1j h SER 28 Cb 0.30 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3a1j h SER 28 CO 0.00 0.43 0.01 0.74 -0.87 0.00 0.00 176.83 177.14 3a1j h THR 29 N 0.88 1.08 -0.06 2.95 2.02 -1.74 -1.38 112.91 116.66 3a1j h THR 29 Ca 0.47 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3a1j h THR 29 Cb 0.56 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3a1j h THR 29 CO -0.23 0.06 0.04 0.40 0.37 0.00 0.00 175.52 176.15 3a1j h ILE 30 N -0.07 1.02 -0.27 3.11 5.03 -1.70 -2.48 117.51 122.16 3a1j h ILE 30 Ca 0.01 -0.05 0.08 0.00 -0.12 0.00 0.00 64.86 64.78 3a1j h ILE 30 Cb 0.09 0.95 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 3a1j h ILE 30 CO -0.00 0.02 0.20 -0.07 -0.68 0.00 0.00 178.15 177.62 3a1j h LEU 31 N 0.07 0.00 -1.07 1.44 3.38 -1.18 0.13 115.31 118.08 3a1j h LEU 31 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3a1j h LEU 31 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a1j h LEU 31 CO -0.00 0.00 -0.16 0.11 0.09 0.00 0.00 178.44 178.47 3a1j h LYS 32 N 0.00 0.00 0.00 1.13 1.57 -0.78 -2.92 116.57 115.57 3a1j h LYS 32 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3a1j h LYS 32 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3a1j h LYS 32 CO -0.00 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 3a1j h ALA 33 N 1.84 1.00 0.00 3.86 0.00 -0.61 -2.86 119.26 122.49 3a1j h ALA 33 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a1j h ALA 33 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3a1j h ALA 33 CO 0.02 0.00 -0.37 0.44 0.00 0.00 0.00 179.25 179.35 3a1j n ILE 34 N -2.68 1.32 -2.30 0.00 -5.35 -1.11 -3.28 119.36 105.96 3a1j n ILE 34 Ca 0.00 -1.86 -0.43 0.00 -0.27 0.00 0.00 62.75 60.19 3a1j n ILE 34 Cb 0.20 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 3a1j n ILE 34 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3a1j n HIS 35 N -0.80 3.44 -0.16 4.28 -0.00 -1.08 -4.48 115.22 116.42 3a1j n HIS 35 Ca 0.12 -2.91 0.00 0.00 0.46 0.00 0.00 57.72 55.39 3a1j n HIS 35 Cb 0.73 -2.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.45 3a1j n HIS 35 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3a1j n PHE 36 N 4.86 0.00 -4.09 1.57 -1.74 -1.26 -5.01 117.46 111.79 3a1j n PHE 36 Ca 0.43 -0.33 -0.14 0.00 -0.56 0.00 0.00 57.45 56.84 3a1j n PHE 36 Cb 0.38 -0.03 -0.11 0.00 1.52 0.00 0.00 39.48 41.24 3a1j n PHE 36 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3a1j s ARG 37 N -0.66 0.60 0.36 3.97 1.81 -1.26 -5.05 118.95 118.71 3a1j s ARG 37 Ca 0.00 -0.83 0.17 0.00 -1.72 0.00 0.00 55.73 53.36 3a1j s ARG 37 Cb 0.00 -0.39 0.62 0.00 -0.45 0.00 0.00 34.95 34.73 3a1j s ARG 37 CO 0.00 0.07 1.71 1.49 -0.68 0.00 0.00 175.30 177.89 3a1j h GLU 38 N 4.37 0.00 -6.74 3.54 4.81 -1.97 -3.43 114.58 115.16 3a1j h GLU 38 Ca -0.37 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.19 3a1j h GLU 38 Cb 1.20 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.38 3a1j h GLU 38 CO 0.42 0.42 -0.84 -1.01 -0.73 0.00 0.00 179.01 177.26 3a1j s HIS 39 N -3.61 2.33 0.05 0.92 3.76 -1.26 -0.45 115.29 117.02 3a1j s HIS 39 Ca -0.00 -0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 3a1j s HIS 39 Cb 0.11 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.61 3a1j s HIS 39 CO 0.70 0.43 0.22 0.00 -0.85 0.00 0.00 174.74 175.23 3a1j s ALA 40 N -1.38 -0.42 -0.20 -1.40 0.00 -0.77 -4.67 121.76 112.91 3a1j s ALA 40 Ca 0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 3a1j s ALA 40 Cb -0.09 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3a1j s ALA 40 CO 0.08 -0.39 0.08 0.99 0.00 0.00 0.00 175.76 176.52 3a1j s THR 41 N -2.67 4.79 -0.19 0.00 2.01 0.79 -2.08 115.64 118.29 3a1j s THR 41 Ca -0.04 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 3a1j s THR 41 Cb -0.01 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 3a1j s THR 41 CO -0.04 0.42 0.12 0.00 -0.69 0.00 0.00 174.62 174.44 3a1j s PHE 43 N 0.22 2.12 0.00 0.00 5.36 0.93 -2.02 117.98 124.59 3a1j s PHE 43 Ca 0.08 -1.37 0.05 0.00 -0.96 0.00 0.00 56.93 54.74 3a1j s PHE 43 Cb -0.11 -1.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 3a1j s PHE 43 CO -0.01 -0.69 -0.14 0.00 -1.46 0.00 0.00 175.22 172.92 3a1j s ALA 44 N 1.50 2.73 0.28 11.12 0.00 -0.09 -0.40 121.76 136.89 3a1j s ALA 44 Ca -0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 3a1j s ALA 44 Cb -0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 3a1j s ALA 44 CO -0.08 0.58 0.45 0.99 0.00 0.00 0.00 175.76 177.70 3a1j s THR 45 N -0.88 0.00 0.54 0.00 2.01 -0.50 -1.37 115.64 115.44 3a1j s THR 45 Ca 0.14 -1.51 0.32 0.00 0.31 0.00 0.00 61.69 60.95 3a1j s THR 45 Cb -0.11 -2.39 0.48 0.00 0.01 0.00 0.00 72.50 70.49 3a1j s THR 45 CO 0.04 0.00 1.88 0.11 -0.69 0.00 0.00 174.62 175.97 3a1j h LYS 46 N 2.24 0.00 -0.00 4.92 1.57 -1.88 -1.06 116.57 122.36 3a1j h LYS 46 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3a1j h LYS 46 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3a1j h LYS 46 CO 0.38 0.00 -0.32 0.09 -0.57 0.00 0.00 179.45 179.04 3a1j n ASN 47 N -4.22 0.42 0.00 0.86 4.13 -1.26 -4.74 115.26 110.44 3a1j n ASN 47 Ca 0.18 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.29 3a1j n ASN 47 Cb 0.97 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 39.23 3a1j n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a1j n GLY 48 N 1.46 0.99 3.45 7.41 0.00 -0.40 -0.93 105.19 117.17 3a1j n GLY 48 Ca 0.07 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3a1j n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1j s ILE 49 N -2.34 2.84 -0.10 -0.61 1.01 -0.43 -1.41 121.20 120.15 3a1j s ILE 49 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3a1j s ILE 49 Cb 0.00 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3a1j s ILE 49 CO 0.00 0.46 -0.11 -0.75 0.00 0.00 0.00 174.94 174.54 3a1j s LYS 50 N -1.09 1.81 -0.13 2.79 2.20 0.47 -0.67 119.74 125.12 3a1j s LYS 50 Ca 0.13 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 3a1j s LYS 50 Cb -0.10 -1.67 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 3a1j s LYS 50 CO 0.03 -0.14 -0.08 0.08 -0.36 0.00 0.00 175.35 174.88 3a1j s VAL 51 N 1.26 3.55 -0.04 4.02 1.01 -0.29 -0.05 120.40 129.86 3a1j s VAL 51 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3a1j s VAL 51 Cb -0.14 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3a1j s VAL 51 CO -0.04 0.52 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 3a1j s THR 52 N 0.12 1.05 -0.03 3.92 2.01 0.14 -1.22 115.64 121.63 3a1j s THR 52 Ca -0.03 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.53 3a1j s THR 52 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3a1j s THR 52 CO 0.04 0.32 -0.17 0.68 -0.69 0.00 0.00 174.62 174.80 3a1j s VAL 53 N 0.32 1.41 0.13 3.82 -7.23 -0.53 -0.15 120.40 118.17 3a1j s VAL 53 Ca -0.07 -0.73 0.09 0.00 -1.81 0.00 0.00 61.98 59.46 3a1j s VAL 53 Cb -0.12 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 3a1j s VAL 53 CO 0.02 0.40 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.40 3a1j s GLU 54 N -0.14 1.21 -0.74 4.82 2.02 -1.26 -1.11 118.70 123.50 3a1j s GLU 54 Ca 0.00 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.75 3a1j s GLU 54 Cb -0.10 -1.39 0.19 0.00 0.10 0.00 0.00 34.13 32.93 3a1j s GLU 54 CO 0.01 0.31 0.58 -1.71 0.02 0.00 0.00 175.26 174.47 3a1j n ASN 55 N 0.72 3.35 -3.96 -0.19 5.15 0.39 -4.94 115.26 115.78 3a1j n ASN 55 Ca -0.17 -3.23 -0.37 0.00 -0.60 0.00 0.00 54.58 50.21 3a1j n ASN 55 Cb 0.55 -0.80 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 3a1j n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a1j n ALA 56 N 1.87 -2.67 -0.65 5.20 0.00 -1.26 -2.01 120.51 121.00 3a1j n ALA 56 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3a1j n ALA 56 Cb 0.36 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3a1j n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a1j n LYS 57 N -3.99 0.00 -0.09 0.00 5.02 -1.26 -4.78 118.16 113.06 3a1j n LYS 57 Ca -0.20 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.98 3a1j n LYS 57 Cb 0.61 -3.62 -0.10 0.00 -0.02 0.00 0.00 35.03 31.89 3a1j n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a1j s VAL 59 N -2.37 0.37 -0.02 0.00 1.01 -1.20 -1.35 120.40 116.84 3a1j s VAL 59 Ca -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3a1j s VAL 59 Cb 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3a1j s VAL 59 CO 0.49 -0.09 0.01 -1.58 0.00 0.00 0.00 175.10 173.93 3a1j s GLN 60 N -0.64 0.13 -0.07 2.72 0.74 -0.81 -0.46 119.66 121.27 3a1j s GLN 60 Ca -0.03 0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.52 3a1j s GLN 60 Cb -0.05 -0.32 0.00 0.00 1.10 0.00 0.00 33.01 33.74 3a1j s GLN 60 CO -0.00 -0.12 -0.20 0.00 -0.55 0.00 0.00 175.29 174.42 3a1j s ALA 61 N 0.87 1.82 -0.02 1.58 0.00 -0.26 -1.42 121.76 124.33 3a1j s ALA 61 Ca -0.08 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3a1j s ALA 61 Cb -0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3a1j s ALA 61 CO -0.02 0.27 -0.16 -0.80 0.00 0.00 0.00 175.76 175.05 3a1j s ASN 62 N 0.28 1.89 -0.07 0.00 0.01 -0.19 -1.45 114.94 115.40 3a1j s ASN 62 Ca -0.13 -0.29 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 3a1j s ASN 62 Cb -0.16 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.26 3a1j s ASN 62 CO 0.06 0.19 -0.19 0.00 -1.51 0.00 0.00 177.10 175.65 3a1j s ALA 63 N -0.32 1.72 -0.10 0.60 0.00 -0.36 -0.59 121.76 122.71 3a1j s ALA 63 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3a1j s ALA 63 Cb -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3a1j s ALA 63 CO -0.00 0.26 -0.19 0.12 0.00 0.00 0.00 175.76 175.94 3a1j s PHE 64 N 0.27 2.23 -0.30 0.00 5.36 -1.02 -1.14 117.98 123.38 3a1j s PHE 64 Ca -0.11 -0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 54.88 3a1j s PHE 64 Cb -0.15 -1.54 0.05 0.00 -0.34 0.00 0.00 43.02 41.05 3a1j s PHE 64 CO 0.05 -0.44 -0.02 0.42 -1.46 0.00 0.00 175.22 173.77 3a1j s ILE 65 N 0.64 2.82 0.58 3.12 1.09 0.15 -3.97 121.20 125.63 3a1j s ILE 65 Ca -0.13 -1.48 -0.20 0.00 -1.10 0.00 0.00 60.65 57.74 3a1j s ILE 65 Cb -0.16 -2.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.55 3a1j s ILE 65 CO 0.03 -0.12 1.27 0.00 -0.10 0.00 0.00 174.94 176.02 3a1j s GLN 66 N 1.21 3.00 0.53 2.79 0.00 -1.26 -1.31 119.66 124.62 3a1j s GLN 66 Ca -0.05 2.00 0.25 0.00 -0.00 0.00 0.00 55.36 57.56 3a1j s GLN 66 Cb -0.20 -2.06 1.40 0.00 0.00 0.00 0.00 33.01 32.16 3a1j s GLN 66 CO -0.02 -1.23 2.00 0.00 0.00 0.00 0.00 175.29 176.04 3a1j h ALA 67 N 1.10 2.47 0.00 2.60 0.00 -1.33 -0.70 119.26 123.40 3a1j h ALA 67 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a1j h ALA 67 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3a1j h ALA 67 CO 0.56 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3a1j n GLY 68 N -1.63 -0.97 0.15 0.00 0.00 -1.26 -1.90 105.19 99.58 3a1j n GLY 68 Ca 0.09 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3a1j n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a1j h ILE 69 N 0.00 1.41 -4.37 -0.61 1.08 -1.47 -3.46 117.51 110.09 3a1j h ILE 69 Ca 0.00 -2.44 -0.50 0.00 -0.39 0.00 0.00 64.86 61.54 3a1j h ILE 69 Cb 0.10 2.39 0.09 0.00 -3.07 0.00 0.00 36.82 36.33 3a1j h ILE 69 CO 0.00 0.73 0.38 -0.36 -0.69 0.00 0.00 178.15 178.20 3a1j s PHE 70 N -3.30 3.16 -0.09 1.37 0.08 -0.80 -4.99 117.98 113.40 3a1j s PHE 70 Ca -0.05 1.20 0.14 0.00 0.12 0.00 0.00 56.93 58.34 3a1j s PHE 70 Cb 0.09 -2.99 -0.24 0.00 -0.57 0.00 0.00 43.02 39.31 3a1j s PHE 70 CO 0.86 -1.31 0.47 1.04 -0.10 0.00 0.00 175.22 176.17 3a1j n GLN 71 N -3.14 0.65 -3.89 0.44 3.00 -0.48 -4.84 117.38 109.13 3a1j n GLN 71 Ca 0.07 0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 57.09 3a1j n GLN 71 Cb 0.56 -1.71 -0.16 0.00 0.00 0.00 0.00 30.24 28.93 3a1j n GLN 71 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3a1j s GLU 72 N -2.56 0.27 -0.26 -1.09 2.12 -1.24 -4.95 118.70 110.99 3a1j s GLU 72 Ca -0.07 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 3a1j s GLU 72 Cb 0.07 -0.50 0.15 0.00 0.26 0.00 0.00 34.13 34.11 3a1j s GLU 72 CO 0.82 -0.16 0.47 0.12 -0.54 0.00 0.00 175.26 175.97 3a1j s PHE 73 N 1.18 -1.11 -0.03 5.30 5.36 -1.25 -0.43 117.98 127.01 3a1j s PHE 73 Ca -0.08 1.28 -0.02 0.00 -0.96 0.00 0.00 56.93 57.16 3a1j s PHE 73 Cb -0.13 0.27 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 3a1j s PHE 73 CO -0.02 -0.74 0.06 -1.59 -1.46 0.00 0.00 175.22 171.47 3a1j s LYS 74 N 2.68 0.06 -0.11 10.12 -2.85 -0.19 -5.00 119.74 124.44 3a1j s LYS 74 Ca 0.13 0.12 0.02 0.00 -1.00 0.00 0.00 55.97 55.24 3a1j s LYS 74 Cb -0.15 -0.02 0.01 0.00 -2.06 0.00 0.00 37.83 35.61 3a1j s LYS 74 CO -0.17 -0.04 -0.18 0.08 0.10 0.00 0.00 175.35 175.14 3a1j s VAL 75 N 0.26 1.70 -1.69 1.79 1.01 -1.26 -1.65 120.40 120.55 3a1j s VAL 75 Ca -0.02 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.29 3a1j s VAL 75 Cb -0.03 -1.52 0.33 0.00 0.00 0.00 0.00 36.38 35.16 3a1j s VAL 75 CO -0.01 0.48 1.22 0.00 0.00 0.00 0.00 175.10 176.79 3a1j n GLN 76 N 4.05 2.05 -2.67 2.72 6.02 -0.11 -4.90 117.38 124.54 3a1j n GLN 76 Ca -0.20 -1.32 -0.06 0.00 -0.01 0.00 0.00 57.00 55.41 3a1j n GLN 76 Cb 0.52 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.35 3a1j n GLN 76 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3a1j n GLU 77 N 0.48 0.34 -0.03 -1.09 -0.58 -1.26 -5.03 120.64 113.47 3a1j n GLU 77 Ca 0.12 -0.98 -0.16 0.00 -0.42 0.00 0.00 57.16 55.72 3a1j n GLU 77 Cb 0.39 0.72 -0.08 0.00 -0.57 0.00 0.00 31.44 31.90 3a1j n GLU 77 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3a1j h GLU 78 N 0.00 0.63 -2.33 3.49 4.57 -1.95 -3.46 114.58 115.53 3a1j h GLU 78 Ca -0.08 -0.49 -0.08 0.00 -1.18 0.00 0.00 59.36 57.54 3a1j h GLU 78 Cb 0.35 0.09 -0.19 0.00 -0.16 0.00 0.00 28.75 28.84 3a1j h GLU 78 CO 0.11 1.11 0.04 -1.54 -1.18 0.00 0.00 179.01 177.55 3a1j s SER 79 N -6.79 -0.52 -0.05 1.04 1.04 -1.26 -4.51 113.70 102.66 3a1j s SER 79 Ca -0.12 0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.89 3a1j s SER 79 Cb 0.07 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3a1j s SER 79 CO 0.85 -0.54 -0.10 0.54 0.98 0.00 0.00 173.24 174.97 3a1j s VAL 80 N -1.15 0.93 0.03 5.02 0.11 -0.47 -5.00 120.40 119.87 3a1j s VAL 80 Ca -0.11 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 3a1j s VAL 80 Cb -0.02 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3a1j s VAL 80 CO 0.08 0.30 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.16 3a1j s THR 81 N 0.48 0.71 0.02 5.04 2.01 -1.26 -0.92 115.64 121.72 3a1j s THR 81 Ca -0.09 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 60.86 3a1j s THR 81 Cb -0.13 -0.67 0.09 0.00 0.01 0.00 0.00 72.50 71.80 3a1j s THR 81 CO 0.02 -0.08 0.78 0.72 -0.69 0.00 0.00 174.62 175.37 3a1j s PHE 82 N -0.79 -0.45 -0.04 4.92 -0.71 -0.86 -4.83 117.98 115.22 3a1j s PHE 82 Ca -0.02 0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 56.30 3a1j s PHE 82 Cb -0.07 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 3a1j s PHE 82 CO 0.00 -0.63 0.02 0.50 -1.34 0.00 0.00 175.22 173.78 3a1j s ARG 83 N -2.80 2.94 0.18 1.99 3.52 -0.77 -0.44 118.95 123.57 3a1j s ARG 83 Ca 0.01 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3a1j s ARG 83 Cb -0.01 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 3a1j s ARG 83 CO -0.06 0.67 0.16 0.96 -0.81 0.00 0.00 175.30 176.22 3a1j s ILE 84 N -1.03 0.04 -0.50 4.11 -5.25 -0.88 0.06 121.20 117.76 3a1j s ILE 84 Ca 0.18 -1.82 -0.25 0.00 -0.99 0.00 0.00 60.65 57.77 3a1j s ILE 84 Cb -0.12 -2.22 0.03 0.00 2.95 0.00 0.00 42.46 43.11 3a1j s ILE 84 CO 0.08 -0.20 0.93 0.21 -1.79 0.00 0.00 174.94 174.17 3a1j s ASN 85 N -3.08 6.42 0.27 4.36 3.84 -1.26 -1.85 114.94 123.64 3a1j s ASN 85 Ca 0.29 -0.09 -0.03 0.00 0.21 0.00 0.00 52.86 53.24 3a1j s ASN 85 Cb 0.06 -2.44 0.36 0.00 -0.55 0.00 0.00 41.25 38.67 3a1j s ASN 85 CO 0.06 -1.13 1.87 0.25 -2.79 0.00 0.00 177.10 175.36 3a1j h LEU 86 N 10.77 0.92 -0.32 3.21 6.46 -1.06 -1.28 115.31 134.01 3a1j h LEU 86 Ca -0.25 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 3a1j h LEU 86 Cb 1.07 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 3a1j h LEU 86 CO 1.06 0.78 0.21 0.74 -0.62 0.00 0.00 178.44 180.61 3a1j h THR 87 N 1.00 1.08 -0.31 1.05 2.02 -1.82 0.17 112.91 116.10 3a1j h THR 87 Ca 0.24 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3a1j h THR 87 Cb 0.12 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3a1j h THR 87 CO -0.03 0.08 0.07 0.58 0.37 0.00 0.00 175.52 176.59 3a1j h VAL 88 N 0.43 1.23 -0.31 3.16 2.07 -1.83 -0.17 116.25 120.83 3a1j h VAL 88 Ca 0.12 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3a1j h VAL 88 Cb -0.05 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3a1j h VAL 88 CO -0.03 0.25 -0.06 0.25 0.02 0.00 0.00 177.57 178.00 3a1j h LEU 89 N 0.35 -0.26 -1.05 2.57 5.85 -0.77 -0.03 115.31 121.96 3a1j h LEU 89 Ca 0.10 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3a1j h LEU 89 Cb 0.31 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3a1j h LEU 89 CO 0.00 -0.09 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.63 3a1j h LEU 90 N 0.02 0.28 -0.71 2.25 3.38 -0.57 -1.37 115.31 118.59 3a1j h LEU 90 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a1j h LEU 90 Cb 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3a1j h LEU 90 CO -0.31 0.59 0.28 0.44 0.09 0.00 0.00 178.44 179.53 3a1j h ASP 91 N 0.24 0.99 -0.29 -0.43 3.32 0.16 -2.59 116.42 117.83 3a1j h ASP 91 Ca 0.03 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 3a1j h ASP 91 Cb 0.68 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3a1j h ASP 91 CO 0.05 0.90 -0.51 0.00 -1.72 0.00 0.00 179.24 177.96 3a1j h LEU 93 N 0.64 0.00 -3.16 0.00 3.38 -1.09 -1.92 115.31 113.15 3a1j h LEU 93 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3a1j h LEU 93 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3a1j h LEU 93 CO 0.12 0.03 -0.37 -1.54 0.09 0.00 0.00 178.44 176.76 3a1j n SER 94 N -3.23 2.15 0.21 -0.43 3.41 -0.99 -4.74 113.62 109.99 3a1j n SER 94 Ca -0.02 -3.87 0.17 0.00 -0.26 0.00 0.00 58.87 54.90 3a1j n SER 94 Cb 0.18 -0.56 0.83 0.00 -0.26 0.00 0.00 64.21 64.40 3a1j n SER 94 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3a1j h ILE 95 N 1.06 0.48 -0.62 -1.33 6.09 -1.07 -2.07 117.51 120.05 3a1j h ILE 95 Ca 0.10 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.59 3a1j h ILE 95 Cb 1.24 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.38 3a1j h ILE 95 CO 0.18 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.75 3a1j n PHE 96 N -3.82 0.95 0.00 2.19 3.72 -1.26 -5.04 117.46 114.19 3a1j n PHE 96 Ca 0.01 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3a1j n PHE 96 Cb 0.32 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3a1j n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1j n GLY 97 N 1.41 3.03 0.33 1.37 0.00 -0.78 -4.90 105.19 105.64 3a1j n GLY 97 Ca 0.22 -1.94 0.03 0.00 0.00 0.00 0.00 46.02 44.32 3a1j n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a1j n SER 98 N 0.00 2.50 -2.85 1.61 7.64 -1.26 -4.66 113.62 116.60 3a1j n SER 98 Ca 0.00 -2.07 -0.20 0.00 1.01 0.00 0.00 58.87 57.61 3a1j n SER 98 Cb 0.00 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 3a1j n SER 98 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3a1j n SER 99 N -0.07 2.76 -3.82 6.43 3.41 -1.26 -5.23 113.62 115.84 3a1j n SER 99 Ca 0.07 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 3a1j n SER 99 Cb 0.37 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3a1j n SER 99 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3a1j n PRO 100 N -0.10 1.71 -3.27 4.33 -0.02 -1.26 -5.20 135.00 131.19 3a1j n PRO 100 Ca 0.26 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.35 3a1j n PRO 100 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.05 3a1j n PRO 100 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3a1j s PRO 102 N 0.00 4.31 0.00 0.52 0.02 -1.26 -5.02 135.00 133.58 3a1j s PRO 102 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.50 3a1j s PRO 102 Cb 0.00 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3a1j s PRO 102 CO 0.00 0.08 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 3a1j n GLY 103 N 3.40 0.93 3.09 0.52 0.00 -1.26 -5.00 105.19 106.87 3a1j n GLY 103 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3a1j n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a1j s THR 104 N -3.10 3.60 0.10 2.61 2.01 -1.26 -5.08 115.64 114.52 3a1j s THR 104 Ca 0.00 -2.83 0.02 0.00 0.31 0.00 0.00 61.69 59.18 3a1j s THR 104 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3a1j s THR 104 CO 0.00 -0.85 0.21 -0.76 -0.69 0.00 0.00 174.62 172.53 3a1j s LEU 105 N 0.11 4.22 -0.24 4.42 1.43 -1.26 -4.92 118.68 122.45 3a1j s LEU 105 Ca 0.16 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3a1j s LEU 105 Cb -0.21 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.19 3a1j s LEU 105 CO -0.03 0.13 -0.04 -0.89 0.23 0.00 0.00 176.35 175.75 3a1j s THR 106 N -1.58 3.23 0.37 5.49 2.01 -1.26 -4.52 115.64 119.37 3a1j s THR 106 Ca 0.34 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 3a1j s THR 106 Cb -0.12 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3a1j s THR 106 CO 0.27 0.30 0.67 0.00 -0.69 0.00 0.00 174.62 175.17 3a1j s ALA 107 N 1.42 3.49 0.01 7.40 0.00 -0.73 -1.25 121.76 132.09 3a1j s ALA 107 Ca 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3a1j s ALA 107 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3a1j s ALA 107 CO -0.03 0.04 -0.10 -1.17 0.00 0.00 0.00 175.76 174.49 3a1j s LEU 108 N -3.89 2.07 0.33 0.00 2.96 0.13 -2.26 118.68 118.02 3a1j s LEU 108 Ca 0.47 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3a1j s LEU 108 Cb -0.10 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 3a1j s LEU 108 CO 0.33 0.07 0.13 -0.60 -1.32 0.00 0.00 176.35 174.96 3a1j s ARG 109 N -0.53 1.67 0.00 1.98 3.52 0.02 -0.15 118.95 125.47 3a1j s ARG 109 Ca 0.02 -1.97 0.00 0.00 -0.13 0.00 0.00 55.73 53.66 3a1j s ARG 109 Cb -0.05 -0.37 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 3a1j s ARG 109 CO 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 175.30 174.09 3a1j s TYR 112 N -0.10 1.34 0.15 0.00 5.04 -0.47 -4.60 117.35 118.71 3a1j s TYR 112 Ca 0.00 -1.62 -0.21 0.00 -2.44 0.00 0.00 57.07 52.80 3a1j s TYR 112 Cb 0.00 -1.48 0.04 0.00 0.35 0.00 0.00 41.96 40.87 3a1j s TYR 112 CO 0.00 -0.85 1.64 0.37 -1.34 0.00 0.00 175.55 175.37 3a1j h GLN 113 N 7.90 -0.19 0.00 4.97 4.15 -1.83 -1.91 115.11 128.20 3a1j h GLN 113 Ca -0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3a1j h GLN 113 Cb 1.00 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3a1j h GLN 113 CO 0.45 -0.12 0.00 0.41 -1.93 0.00 0.00 178.83 177.63 3a1j n GLY 114 N -1.36 -0.80 3.62 2.39 0.00 -1.26 -1.76 105.19 106.01 3a1j n GLY 114 Ca -0.00 -1.20 -0.60 0.00 0.00 0.00 0.00 46.02 44.22 3a1j n GLY 114 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1j n TYR 115 N -0.65 1.33 -0.27 1.61 9.36 -1.26 -0.72 117.16 126.56 3a1j n TYR 115 Ca 0.00 0.92 0.00 0.00 3.32 0.00 0.00 57.90 62.14 3a1j n TYR 115 Cb 0.00 -2.23 0.00 0.00 -0.63 0.00 0.00 39.34 36.48 3a1j n TYR 115 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3a1j n GLY 116 N 2.80 0.81 3.77 2.98 0.00 -1.26 -5.06 105.19 109.22 3a1j n GLY 116 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 3a1j n GLY 116 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1j s TYR 117 N -2.65 3.09 0.63 1.61 2.02 0.10 -4.95 117.35 117.20 3a1j s TYR 117 Ca 0.00 -0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.54 3a1j s TYR 117 Cb 0.00 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3a1j s TYR 117 CO 0.00 0.52 1.04 -1.25 -1.57 0.00 0.00 175.55 174.29 3a1j s PRO 118 N -2.99 3.34 0.00 -1.71 0.04 -1.26 -4.11 135.00 128.31 3a1j s PRO 118 Ca 0.30 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3a1j s PRO 118 Cb -0.10 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3a1j s PRO 118 CO 0.22 -0.78 0.00 -0.11 0.04 0.00 0.00 177.00 176.37 3a1j n LEU 119 N -2.59 0.00 -3.65 -3.56 7.94 0.41 -4.57 117.00 110.99 3a1j n LEU 119 Ca 0.07 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3a1j n LEU 119 Cb 0.54 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.42 3a1j n LEU 119 CO 0.53 -0.32 1.00 -0.76 -1.11 0.00 0.00 177.39 176.73 3a1j s LEU 121 N 0.00 -0.19 -0.16 -1.96 1.43 -0.28 -0.74 118.68 116.79 3a1j s LEU 121 Ca 0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3a1j s LEU 121 Cb 0.00 1.34 0.04 0.00 0.03 0.00 0.00 46.19 47.61 3a1j s LEU 121 CO 0.00 -0.06 -0.05 -0.36 0.23 0.00 0.00 176.35 176.12 3a1j s PHE 122 N 0.34 1.61 0.04 0.29 0.08 -0.67 -1.11 117.98 118.55 3a1j s PHE 122 Ca 0.03 -1.02 0.07 0.00 0.12 0.00 0.00 56.93 56.13 3a1j s PHE 122 Cb -0.04 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3a1j s PHE 122 CO -0.12 -0.60 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.70 3a1j s LEU 123 N 1.66 2.15 -0.03 -0.37 1.02 -0.60 -0.80 118.68 121.72 3a1j s LEU 123 Ca 0.01 -0.49 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 3a1j s LEU 123 Cb -0.15 -0.89 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3a1j s LEU 123 CO -0.08 0.14 0.08 -1.83 0.02 0.00 0.00 176.35 174.69 3a1j s GLU 124 N -1.09 0.08 -0.04 1.70 4.04 -0.96 -0.20 118.70 122.23 3a1j s GLU 124 Ca 0.06 0.16 -0.01 0.00 0.04 0.00 0.00 54.97 55.22 3a1j s GLU 124 Cb -0.08 -0.02 0.03 0.00 0.02 0.00 0.00 34.13 34.07 3a1j s GLU 124 CO 0.01 -0.05 0.02 -2.00 -1.84 0.00 0.00 175.26 171.40 3a1j s GLU 125 N 0.33 0.22 -1.68 -4.83 2.12 -0.33 -1.77 118.70 112.77 3a1j s GLU 125 Ca -0.02 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3a1j s GLU 125 Cb -0.04 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.77 3a1j s GLU 125 CO -0.01 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3a1j n GLY 126 N 4.73 1.19 0.30 -1.50 0.00 -1.26 -0.96 105.19 107.67 3a1j n GLY 126 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3a1j n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1j n GLY 127 N -0.41 1.21 3.74 -0.02 0.00 -1.26 -5.04 105.19 103.41 3a1j n GLY 127 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3a1j n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1j s VAL 128 N -2.31 4.58 -0.11 1.61 1.01 -0.14 -5.04 120.40 120.01 3a1j s VAL 128 Ca 0.00 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3a1j s VAL 128 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3a1j s VAL 128 CO 0.00 0.37 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 3a1j s VAL 129 N -0.22 2.16 -0.12 2.92 1.01 -1.26 -1.18 120.40 123.71 3a1j s VAL 129 Ca 0.41 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3a1j s VAL 129 Cb -0.22 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3a1j s VAL 129 CO 0.26 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.92 3a1j s THR 130 N 0.41 3.29 -0.15 3.92 2.01 0.72 -4.98 115.64 120.87 3a1j s THR 130 Ca -0.16 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 3a1j s THR 130 Cb -0.17 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 3a1j s THR 130 CO 0.07 0.53 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 3a1j s VAL 131 N 0.08 3.31 -0.06 3.82 1.01 -1.26 -1.55 120.40 125.75 3a1j s VAL 131 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3a1j s VAL 131 Cb -0.14 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 3a1j s VAL 131 CO 0.04 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.44 3a1j s LYS 133 N 0.14 1.60 -0.35 0.00 2.20 -1.26 -1.12 119.74 120.95 3a1j s LYS 133 Ca -0.08 -1.85 -0.09 0.00 -0.36 0.00 0.00 55.97 53.59 3a1j s LYS 133 Cb -0.14 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 3a1j s LYS 133 CO 0.04 -0.95 0.16 0.42 -0.36 0.00 0.00 175.35 174.67 3a1j s ILE 134 N 0.95 4.35 0.51 5.43 1.01 0.09 -4.92 121.20 128.62 3a1j s ILE 134 Ca 0.10 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 3a1j s ILE 134 Cb -0.20 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 3a1j s ILE 134 CO -0.07 -0.15 1.38 0.20 0.00 0.00 0.00 174.94 176.31 3a1j s ASN 135 N 1.53 5.49 0.19 3.58 0.02 -1.26 0.16 114.94 124.64 3a1j s ASN 135 Ca 0.02 2.82 0.06 0.00 -1.02 0.00 0.00 52.86 54.74 3a1j s ASN 135 Cb -0.19 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.40 3a1j s ASN 135 CO 0.05 -1.43 0.13 0.42 0.02 0.00 0.00 177.10 176.30 3a1j s THR 136 N -1.27 4.37 0.38 1.60 -4.23 -1.26 -4.69 115.64 110.54 3a1j s THR 136 Ca 0.68 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 3a1j s THR 136 Cb -0.42 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 3a1j s THR 136 CO 0.51 -0.17 -0.00 -1.10 -0.54 0.00 0.00 174.62 173.32 3a1j s GLN 137 N -3.26 1.85 -0.05 3.99 1.11 0.11 -4.93 119.66 118.48 3a1j s GLN 137 Ca 0.31 -2.03 -0.30 0.00 0.01 0.00 0.00 55.36 53.35 3a1j s GLN 137 Cb -0.09 -1.47 -0.04 0.00 -1.01 0.00 0.00 33.01 30.40 3a1j s GLN 137 CO 0.23 -0.04 1.25 -2.00 0.01 0.00 0.00 175.29 174.74 3a1j s GLU 138 N -3.73 4.33 1.14 2.91 2.56 -1.26 -1.85 118.70 122.79 3a1j s GLU 138 Ca 0.35 1.74 -0.17 0.00 0.00 0.00 0.00 54.97 56.88 3a1j s GLU 138 Cb 0.08 -3.58 0.15 0.00 2.00 0.00 0.00 34.13 32.79 3a1j s GLU 138 CO 0.17 -0.49 0.26 -2.30 -0.56 0.00 0.00 175.26 172.33 3a1j n PRO 139 N 5.34 -1.83 -4.42 4.30 -0.02 -1.26 -4.74 135.00 132.37 3a1j n PRO 139 Ca 0.12 -0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 60.86 3a1j n PRO 139 Cb 0.46 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 3a1j n PRO 139 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1j s GLU 140 N -3.68 1.81 -0.20 -0.52 2.02 -1.26 -5.02 118.70 111.84 3a1j s GLU 140 Ca 0.59 -2.08 -0.30 0.00 0.02 0.00 0.00 54.97 53.21 3a1j s GLU 140 Cb -0.15 -0.28 -0.07 0.00 0.10 0.00 0.00 34.13 33.73 3a1j s GLU 140 CO 0.66 -0.51 2.17 0.39 0.02 0.00 0.00 175.26 177.99 3a1j n GLU 141 N -0.77 1.93 -3.36 1.61 1.02 -1.26 -4.93 120.64 114.88 3a1j n GLU 141 Ca -0.01 0.57 -0.40 0.00 -0.02 0.00 0.00 57.16 57.30 3a1j n GLU 141 Cb 0.64 -3.04 -0.09 0.00 -0.02 0.00 0.00 31.44 28.94 3a1j n GLU 141 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3a1j s THR 142 N 7.40 5.14 0.81 2.62 2.01 -1.26 -5.05 115.64 127.31 3a1j s THR 142 Ca 1.00 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 63.24 3a1j s THR 142 Cb -0.46 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 3a1j s THR 142 CO 0.40 0.03 0.08 0.18 -0.69 0.00 0.00 174.62 174.61 3a1j n LEU 143 N 5.42 -1.73 -3.81 4.42 4.77 -1.26 -5.00 117.00 119.81 3a1j n LEU 143 Ca -0.08 0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 56.06 3a1j n LEU 143 Cb 0.50 -1.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.38 3a1j n LEU 143 CO 0.39 -4.19 -0.39 -0.62 -1.33 0.00 0.00 177.39 171.26 3a1j s ASP 144 N -1.41 3.27 -0.49 -1.43 -1.08 -1.26 -5.07 116.67 109.21 3a1j s ASP 144 Ca 0.56 -0.96 -0.05 0.00 -0.52 0.00 0.00 52.55 51.58 3a1j s ASP 144 Cb -0.30 -0.82 0.13 0.00 -1.46 0.00 0.00 42.92 40.47 3a1j s ASP 144 CO 0.67 -0.28 0.32 -0.36 0.52 0.00 0.00 175.17 176.04 3a1j s PHE 145 N 1.68 3.51 -1.21 -5.34 0.08 -1.26 -5.02 117.98 110.43 3a1j s PHE 145 Ca -0.03 -2.31 -0.16 0.00 0.12 0.00 0.00 56.93 54.56 3a1j s PHE 145 Cb -0.18 -3.32 0.14 0.00 -0.57 0.00 0.00 43.02 39.08 3a1j s PHE 145 CO -0.07 -0.95 1.49 0.34 -0.10 0.00 0.00 175.22 175.93 3a1j s ASP 146 N 1.84 6.96 -1.27 1.36 2.15 -1.26 -4.91 116.67 121.54 3a1j s ASP 146 Ca 0.10 -2.74 -0.19 0.00 0.43 0.00 0.00 52.55 50.15 3a1j s ASP 146 Cb -0.23 -2.45 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3a1j s ASP 146 CO -0.03 -0.90 1.80 0.33 -0.17 0.00 0.00 175.17 176.19 3a1j n PHE 147 N 6.54 4.11 -2.51 -5.34 -0.00 -1.26 -4.95 117.46 114.05 3a1j n PHE 147 Ca 0.39 -2.45 -0.41 0.00 -0.00 0.00 0.00 57.45 54.98 3a1j n PHE 147 Cb 0.44 -2.63 -0.04 0.00 -0.00 0.00 0.00 39.48 37.25 3a1j n PHE 147 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3a1j n SER 149 N 2.47 0.00 -0.49 0.00 3.41 -1.26 0.75 113.62 118.50 3a1j n SER 149 Ca 0.03 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3a1j n SER 149 Cb 0.46 -0.26 0.10 0.00 -0.26 0.00 0.00 64.21 64.25 3a1j n SER 149 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a1j n THR 150 N -1.25 0.00 0.37 6.66 -2.24 -1.26 -3.97 114.28 112.59 3a1j n THR 150 Ca 0.00 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.58 3a1j n THR 150 Cb 0.02 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 3a1j n THR 150 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a1j n ASN 151 N -0.02 1.10 -4.61 3.42 3.02 0.23 -4.97 115.26 113.43 3a1j n ASN 151 Ca 0.11 -0.53 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 3a1j n ASN 151 Cb 0.45 1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 40.77 3a1j n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a1j s VAL 152 N -2.34 3.59 -0.07 2.41 1.01 -1.07 -2.69 120.40 121.24 3a1j s VAL 152 Ca 0.02 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 3a1j s VAL 152 Cb 0.08 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.50 3a1j s VAL 152 CO 0.49 -0.42 1.00 0.40 0.00 0.00 0.00 175.10 176.57 3a1j h ILE 153 N 6.56 1.59 -3.99 2.22 1.08 -1.74 -3.47 117.51 119.77 3a1j h ILE 153 Ca -0.33 -1.87 -0.37 0.00 -0.39 0.00 0.00 64.86 61.90 3a1j h ILE 153 Cb 1.16 2.82 -0.24 0.00 -3.07 0.00 0.00 36.82 37.49 3a1j h ILE 153 CO 1.03 0.50 -0.77 0.20 -0.69 0.00 0.00 178.15 178.41 3a1j s ASN 154 N -6.11 1.25 -0.02 1.72 0.01 -1.25 -4.03 114.94 106.50 3a1j s ASN 154 Ca -0.17 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.53 3a1j s ASN 154 Cb -0.00 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.61 3a1j s ASN 154 CO 0.71 -0.04 0.06 -0.75 -1.51 0.00 0.00 177.10 175.57 3a1j s LYS 155 N -1.14 0.06 -0.02 -0.60 2.20 -0.66 -3.22 119.74 116.36 3a1j s LYS 155 Ca -0.02 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.60 3a1j s LYS 155 Cb -0.08 0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3a1j s LYS 155 CO 0.01 -0.02 0.20 0.42 -0.36 0.00 0.00 175.35 175.59 3a1j s ILE 156 N 0.13 0.06 -0.09 5.43 1.01 -0.35 -0.39 121.20 127.00 3a1j s ILE 156 Ca -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3a1j s ILE 156 Cb -0.01 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.02 3a1j s ILE 156 CO -0.00 -0.27 -0.09 -0.63 0.00 0.00 0.00 174.94 173.94 3a1j s ILE 157 N -1.05 1.04 0.32 2.92 1.01 -0.12 0.17 121.20 125.48 3a1j s ILE 157 Ca -0.11 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3a1j s ILE 157 Cb -0.06 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3a1j s ILE 157 CO 0.02 0.35 0.07 -0.76 0.00 0.00 0.00 174.94 174.63 3a1j s LEU 158 N 1.26 3.19 -0.61 2.97 2.01 0.77 -2.03 118.68 126.25 3a1j s LEU 158 Ca -0.04 -0.77 -0.23 0.00 0.01 0.00 0.00 54.13 53.11 3a1j s LEU 158 Cb -0.14 -1.66 0.06 0.00 0.01 0.00 0.00 46.19 44.46 3a1j s LEU 158 CO -0.03 -0.19 0.91 -1.58 1.01 0.00 0.00 176.35 176.47 3a1j s GLN 159 N -3.77 3.18 0.22 1.70 0.74 -0.66 -2.06 119.66 119.00 3a1j s GLN 159 Ca 0.35 -0.68 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 3a1j s GLN 159 Cb -0.03 -4.16 0.27 0.00 1.10 0.00 0.00 33.01 30.18 3a1j s GLN 159 CO 0.21 -1.64 1.60 0.77 -0.55 0.00 0.00 175.29 175.68 3a1j h SER 160 N 9.41 -0.80 -0.78 6.67 0.02 -1.81 -3.00 113.55 123.25 3a1j h SER 160 Ca -0.28 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3a1j h SER 160 Cb 1.07 0.49 -0.12 0.00 0.14 0.00 0.00 62.40 63.98 3a1j h SER 160 CO 1.13 -0.26 -0.32 -0.62 -1.14 0.00 0.00 176.83 175.62 3a1j n GLU 161 N -5.48 -0.19 -0.29 3.45 4.71 -1.26 -0.78 120.64 120.80 3a1j n GLU 161 Ca 0.09 1.21 0.01 0.00 -0.01 0.00 0.00 57.16 58.45 3a1j n GLU 161 Cb 0.37 -1.79 0.11 0.00 -1.01 0.00 0.00 31.44 29.13 3a1j n GLU 161 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a1j n GLY 162 N -1.36 2.09 0.00 0.62 0.00 -1.13 -3.74 105.19 101.66 3a1j n GLY 162 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3a1j n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a1j n LEU 163 N 0.16 0.02 0.13 0.99 4.77 0.04 -4.76 117.00 118.34 3a1j n LEU 163 Ca 0.10 -0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3a1j n LEU 163 Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 3a1j n LEU 163 CO 0.11 0.00 0.63 0.03 -1.33 0.00 0.00 177.39 176.84 3a1j h ARG 164 N 0.00 -0.58 0.28 3.23 3.08 -1.64 0.36 114.38 119.11 3a1j h ARG 164 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a1j h ARG 164 Cb 0.10 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3a1j h ARG 164 CO 0.00 -0.39 -0.30 0.93 -1.07 0.00 0.00 179.97 179.14 3a1j h GLU 165 N -0.60 -0.60 -0.43 0.04 5.08 -1.87 -1.96 114.58 114.25 3a1j h GLU 165 Ca 0.02 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3a1j h GLU 165 Cb 0.62 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3a1j h GLU 165 CO -0.19 -0.40 0.13 0.00 -1.00 0.00 0.00 179.01 177.54 3a1j h ALA 166 N -0.05 0.50 0.00 3.43 0.00 -1.82 -2.47 119.26 118.85 3a1j h ALA 166 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a1j h ALA 166 Cb 0.58 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3a1j h ALA 166 CO -0.08 -0.27 -0.16 0.74 0.00 0.00 0.00 179.25 179.48 3a1j h PHE 167 N 0.28 0.00 0.00 0.00 0.05 -0.08 -1.74 116.94 115.44 3a1j h PHE 167 Ca 0.20 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.99 3a1j h PHE 167 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 3a1j h PHE 167 CO -0.17 0.16 0.00 -1.13 -0.18 0.00 0.00 178.31 176.99 3a1j n SER 168 N -4.03 0.00 -1.84 2.17 3.41 -0.75 -3.28 113.62 109.29 3a1j n SER 168 Ca -0.02 0.37 0.02 0.00 -0.26 0.00 0.00 58.87 58.98 3a1j n SER 168 Cb 0.25 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 64.09 3a1j n SER 168 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1j n GLU 169 N -1.46 4.25 -2.53 4.33 -0.58 -0.65 -4.94 120.64 119.06 3a1j n GLU 169 Ca 0.08 -3.12 -0.43 0.00 -0.42 0.00 0.00 57.16 53.28 3a1j n GLU 169 Cb 0.32 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 28.95 3a1j n GLU 169 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a1j s LEU 170 N -2.88 4.18 1.14 -4.62 1.02 -1.20 -5.09 118.68 111.23 3a1j s LEU 170 Ca 0.54 1.61 -0.18 0.00 0.02 0.00 0.00 54.13 56.12 3a1j s LEU 170 Cb 0.42 -3.54 0.16 0.00 0.02 0.00 0.00 46.19 43.25 3a1j s LEU 170 CO 0.14 -0.67 0.22 -0.67 0.02 0.00 0.00 176.35 175.40 3a1j n ASP 171 N 6.08 -2.66 0.00 2.29 -0.08 -1.26 -5.02 116.55 115.89 3a1j n ASP 171 Ca 0.12 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 3a1j n ASP 171 Cb 0.46 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 42.99 3a1j n ASP 171 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3a1j n THR 173 N -4.62 0.00 -1.67 5.18 -1.04 -1.26 -4.83 114.28 106.04 3a1j n THR 173 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.65 3a1j n THR 173 Cb 0.55 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.10 3a1j n THR 173 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3a1j n SER 174 N 0.16 1.74 0.04 8.00 2.88 -1.26 -4.78 113.62 120.40 3a1j n SER 174 Ca 0.00 0.95 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 3a1j n SER 174 Cb 0.00 -1.46 0.13 0.00 -0.75 0.00 0.00 64.21 62.13 3a1j n SER 174 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3a1j n GLU 175 N -0.65 0.24 -4.32 -1.46 -0.00 -1.26 -4.82 120.64 108.37 3a1j n GLU 175 Ca 0.11 0.04 -0.18 0.00 -0.00 0.00 0.00 57.16 57.12 3a1j n GLU 175 Cb 0.44 -1.62 -0.10 0.00 -0.00 0.00 0.00 31.44 30.15 3a1j n GLU 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3a1j s VAL 176 N -3.15 1.63 -0.10 3.84 -7.23 -1.26 -1.73 120.40 112.40 3a1j s VAL 176 Ca 0.06 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3a1j s VAL 176 Cb 0.14 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 35.18 3a1j s VAL 176 CO 0.75 -0.54 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.62 3a1j s LEU 177 N -3.07 1.71 -0.17 1.32 2.96 0.71 -4.31 118.68 117.83 3a1j s LEU 177 Ca 0.19 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3a1j s LEU 177 Cb -0.02 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.61 3a1j s LEU 177 CO 0.06 0.03 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.48 3a1j s GLN 178 N 0.88 3.56 -0.10 1.98 0.74 0.22 -0.72 119.66 126.22 3a1j s GLN 178 Ca -0.09 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.73 3a1j s GLN 178 Cb -0.15 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.03 3a1j s GLN 178 CO 0.00 0.13 -0.01 0.42 -0.55 0.00 0.00 175.29 175.28 3a1j s ILE 179 N 0.65 4.18 0.35 -2.34 1.01 0.66 -0.38 121.20 125.33 3a1j s ILE 179 Ca -0.03 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.37 3a1j s ILE 179 Cb -0.15 -2.77 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 3a1j s ILE 179 CO 0.02 0.58 0.07 -0.89 0.00 0.00 0.00 174.94 174.72 3a1j s THR 180 N -0.61 1.11 0.00 2.92 2.01 0.37 -1.26 115.64 120.17 3a1j s THR 180 Ca 0.10 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.10 3a1j s THR 180 Cb -0.12 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.69 3a1j s THR 180 CO 0.02 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 173.71 3a1j n SER 182 N -0.82 0.00 0.02 3.53 2.88 -0.54 -0.21 113.62 118.49 3a1j n SER 182 Ca -0.04 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.61 3a1j n SER 182 Cb 0.66 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.56 3a1j n SER 182 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3a1j n PRO 183 N -1.81 0.05 -3.32 -1.46 -0.04 -1.26 -4.47 135.00 122.69 3a1j n PRO 183 Ca 0.00 0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 3a1j n PRO 183 Cb 0.00 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.88 3a1j n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a1j s ASP 184 N -3.28 5.39 0.29 3.54 -0.00 -1.26 -5.00 116.67 116.36 3a1j s ASP 184 Ca 0.09 -0.55 -0.26 0.00 -0.00 0.00 0.00 52.55 51.83 3a1j s ASP 184 Cb 0.13 -0.67 -0.09 0.00 -0.00 0.00 0.00 42.92 42.28 3a1j s ASP 184 CO 0.39 -0.67 0.91 -0.54 -0.00 0.00 0.00 175.17 175.26 3a1j s LYS 185 N -4.23 4.58 0.56 8.23 1.02 -1.26 -3.29 119.74 125.35 3a1j s LYS 185 Ca 0.51 1.29 -0.16 0.00 0.02 0.00 0.00 55.97 57.62 3a1j s LYS 185 Cb -0.07 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 3a1j s LYS 185 CO 0.30 0.35 1.03 -1.25 -0.92 0.00 0.00 175.35 174.86 3a1j s PRO 186 N -1.86 3.57 0.02 -1.68 0.04 -1.26 -5.09 135.00 128.75 3a1j s PRO 186 Ca 0.47 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 3a1j s PRO 186 Cb -0.20 -2.07 -0.24 0.00 0.04 0.00 0.00 34.50 32.03 3a1j s PRO 186 CO 0.25 -0.60 1.11 1.88 0.04 0.00 0.00 177.00 179.68 3a1j h TYR 187 N 0.72 0.72 -3.06 0.56 0.05 -1.71 -3.39 116.97 110.86 3a1j h TYR 187 Ca -0.47 -0.40 -0.34 0.00 0.05 0.00 0.00 58.73 57.57 3a1j h TYR 187 Cb 1.21 -0.08 -0.37 0.00 1.01 0.00 0.00 36.73 38.50 3a1j h TYR 187 CO 0.60 1.23 -0.68 0.12 -1.05 0.00 0.00 178.16 178.38 3a1j s PHE 188 N -3.19 -0.08 -0.06 4.88 5.36 -1.17 -1.47 117.98 122.25 3a1j s PHE 188 Ca -0.12 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 3a1j s PHE 188 Cb 0.04 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.36 3a1j s PHE 188 CO 0.85 -0.33 -0.07 0.50 -1.46 0.00 0.00 175.22 174.71 3a1j s ARG 189 N 2.25 1.14 -0.19 10.12 3.52 0.71 -1.51 118.95 134.98 3a1j s ARG 189 Ca 0.04 -0.20 -0.06 0.00 -0.13 0.00 0.00 55.73 55.38 3a1j s ARG 189 Cb -0.13 -1.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 3a1j s ARG 189 CO -0.06 -0.07 0.01 -0.51 -0.81 0.00 0.00 175.30 173.86 3a1j s LEU 190 N 0.95 3.41 0.02 -0.88 2.01 -0.51 -0.48 118.68 123.21 3a1j s LEU 190 Ca -0.10 -0.12 0.04 0.00 0.01 0.00 0.00 54.13 53.97 3a1j s LEU 190 Cb -0.15 -1.86 -0.02 0.00 0.01 0.00 0.00 46.19 44.18 3a1j s LEU 190 CO 0.00 0.11 -0.13 -0.44 1.01 0.00 0.00 176.35 176.90 3a1j s SER 191 N 0.76 1.55 0.42 2.29 0.01 0.49 -0.29 113.70 118.94 3a1j s SER 191 Ca 0.01 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.96 3a1j s SER 191 Cb -0.14 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.90 3a1j s SER 191 CO 0.02 0.07 0.01 0.42 0.41 0.00 0.00 173.24 174.18 3a1j s THR 192 N -0.65 1.89 -0.44 1.44 -4.23 -0.84 -0.61 115.64 112.21 3a1j s THR 192 Ca 0.02 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 3a1j s THR 192 Cb -0.07 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.14 3a1j s THR 192 CO 0.01 0.00 0.72 0.49 -0.54 0.00 0.00 174.62 175.29 3a1j n PHE 193 N -1.02 -1.82 -2.37 3.99 3.72 -1.26 -2.81 117.46 115.89 3a1j n PHE 193 Ca -0.07 -2.68 0.00 0.00 -0.05 0.00 0.00 57.45 54.65 3a1j n PHE 193 Cb 0.67 0.60 0.00 0.00 -0.94 0.00 0.00 39.48 39.81 3a1j n PHE 193 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1j n GLY 194 N 1.46 1.14 3.28 1.37 0.00 -0.27 -4.49 105.19 107.68 3a1j n GLY 194 Ca 0.15 -2.00 -0.59 0.00 0.00 0.00 0.00 46.02 43.58 3a1j n GLY 194 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1j n ASN 195 N -2.68 0.93 -4.24 1.61 3.02 -1.26 -0.70 115.26 111.94 3a1j n ASN 195 Ca 0.00 0.65 -0.31 0.00 -0.03 0.00 0.00 54.58 54.89 3a1j n ASN 195 Cb 0.00 -0.95 -0.09 0.00 -0.61 0.00 0.00 39.78 38.13 3a1j n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1j n ALA 196 N 7.78 -1.78 -3.58 5.41 0.00 -1.26 -4.90 120.51 122.18 3a1j n ALA 196 Ca 0.53 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 3a1j n ALA 196 Cb -0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 3a1j n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a1j s GLY 197 N -4.07 -0.73 -0.18 0.00 0.00 0.12 -5.13 107.32 97.34 3a1j s GLY 197 Ca 0.16 2.34 -0.06 0.00 0.00 0.00 0.00 44.72 47.15 3a1j s GLY 197 CO 0.94 3.12 0.03 -0.45 0.00 0.00 0.00 173.10 176.74 3a1j s SER 198 N 2.87 5.31 0.04 1.64 0.15 -1.26 -1.12 113.70 121.33 3a1j s SER 198 Ca -0.03 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.62 3a1j s SER 198 Cb -0.12 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.26 3a1j s SER 198 CO -0.19 0.14 -0.08 -0.55 1.20 0.00 0.00 173.24 173.77 3a1j s SER 199 N 0.54 0.85 0.01 5.45 0.15 -1.12 -5.02 113.70 114.56 3a1j s SER 199 Ca 0.01 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.16 3a1j s SER 199 Cb -0.13 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3a1j s SER 199 CO 0.02 -0.19 -0.06 -1.00 1.20 0.00 0.00 173.24 173.21 3a1j s HIS 200 N -1.30 0.51 -0.20 3.44 3.76 -1.26 -1.98 115.29 118.26 3a1j s HIS 200 Ca -0.09 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3a1j s HIS 200 Cb -0.10 -0.32 0.04 0.00 1.11 0.00 0.00 32.58 33.31 3a1j s HIS 200 CO 0.00 -0.04 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.54 3a1j s LEU 201 N -0.62 2.49 -0.12 0.89 2.96 0.60 -4.97 118.68 119.91 3a1j s LEU 201 Ca -0.02 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 52.98 3a1j s LEU 201 Cb -0.05 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 3a1j s LEU 201 CO -0.00 -0.10 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.03 3a1j s ASP 202 N 1.28 4.33 -0.22 3.68 -0.00 -1.26 -1.42 116.67 123.06 3a1j s ASP 202 Ca -0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.35 3a1j s ASP 202 Cb -0.16 -1.50 0.04 0.00 -0.00 0.00 0.00 42.92 41.30 3a1j s ASP 202 CO -0.09 0.22 -0.14 -0.31 -0.00 0.00 0.00 175.17 174.84 3a1j s TYR 203 N 0.05 2.93 0.39 4.23 2.02 -0.57 -5.03 117.35 121.38 3a1j s TYR 203 Ca -0.03 -1.95 -0.25 0.00 -0.37 0.00 0.00 57.07 54.47 3a1j s TYR 203 Cb -0.14 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.46 3a1j s TYR 203 CO 0.04 -0.83 1.15 -1.25 -1.57 0.00 0.00 175.55 173.09 3a1j s PRO 204 N 1.22 4.10 0.65 -1.71 0.04 -1.26 -3.06 135.00 134.98 3a1j s PRO 204 Ca -0.03 1.80 0.42 0.00 0.04 0.00 0.00 61.00 63.23 3a1j s PRO 204 Cb -0.17 -2.69 2.31 0.00 0.04 0.00 0.00 34.50 33.99 3a1j s PRO 204 CO -0.08 -0.27 2.35 1.57 0.04 0.00 0.00 177.00 180.60 3a1j h LYS 205 N 2.68 0.00 -0.64 4.56 2.10 -1.97 -1.34 116.57 121.96 3a1j h LYS 205 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3a1j h LYS 205 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3a1j h LYS 205 CO 0.63 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.68 3a1j n ASP 206 N -3.22 4.73 -4.77 7.07 5.75 -1.26 -4.92 116.55 119.93 3a1j n ASP 206 Ca -0.03 -2.61 -0.35 0.00 -0.01 0.00 0.00 54.79 51.79 3a1j n ASP 206 Cb 0.08 -0.61 0.02 0.00 -1.03 0.00 0.00 41.12 39.58 3a1j n ASP 206 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3a1j s SER 207 N -0.75 5.44 0.45 -1.12 0.15 -0.51 -4.91 113.70 112.44 3a1j s SER 207 Ca 0.46 2.16 0.15 0.00 0.70 0.00 0.00 55.95 59.43 3a1j s SER 207 Cb 0.33 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 63.09 3a1j s SER 207 CO 0.18 -1.41 1.99 0.44 1.20 0.00 0.00 173.24 175.63 3a1j h ASP 208 N 0.79 0.00 0.00 5.45 5.19 -1.94 -3.42 116.42 122.50 3a1j h ASP 208 Ca -0.49 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.35 3a1j h ASP 208 Cb 1.26 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.79 3a1j h ASP 208 CO 0.56 0.19 2.77 0.18 -3.12 0.00 0.00 179.24 179.82 3a1j n LEU 209 N -4.25 5.52 0.00 1.55 4.32 -1.26 -4.93 117.00 117.95 3a1j n LEU 209 Ca -0.02 -3.31 0.00 0.00 -0.02 0.00 0.00 56.01 52.65 3a1j n LEU 209 Cb 0.25 -1.26 0.00 0.00 -1.62 0.00 0.00 43.42 40.79 3a1j n LEU 209 CO 0.36 0.58 0.00 -0.62 -1.22 0.00 0.00 177.39 176.49 3a1j n GLU 211 N 5.39 0.00 -3.72 3.23 1.02 -0.86 -1.66 120.64 124.04 3a1j n GLU 211 Ca 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.55 3a1j n GLU 211 Cb 0.28 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.59 3a1j n GLU 211 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1j s ALA 212 N -0.19 -0.87 -0.15 0.62 0.00 -1.15 -4.98 121.76 115.04 3a1j s ALA 212 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 3a1j s ALA 212 Cb 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.40 3a1j s ALA 212 CO 0.00 -0.23 0.04 0.12 0.00 0.00 0.00 175.76 175.70 3a1j s PHE 213 N 1.11 0.65 -0.42 0.00 5.36 -1.26 -0.95 117.98 122.48 3a1j s PHE 213 Ca -0.08 -0.47 0.08 0.00 -0.96 0.00 0.00 56.93 55.50 3a1j s PHE 213 Cb -0.08 -0.85 0.25 0.00 -0.34 0.00 0.00 43.02 42.01 3a1j s PHE 213 CO -0.09 -0.49 0.55 0.72 -1.46 0.00 0.00 175.22 174.46 3a1j n HIS 214 N 5.15 0.08 -3.77 10.12 8.25 0.48 -5.02 115.22 130.50 3a1j n HIS 214 Ca -0.08 -3.63 -0.37 0.00 -0.26 0.00 0.00 57.72 53.39 3a1j n HIS 214 Cb 0.48 -0.37 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 3a1j n HIS 214 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a1j n ASN 216 N 4.89 3.58 0.00 0.00 3.02 -1.26 -4.11 115.26 121.39 3a1j n ASN 216 Ca -0.16 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.58 3a1j n ASN 216 Cb 0.50 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3a1j n ASN 216 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3a1j n GLN 217 N -0.96 0.00 -3.30 3.52 7.27 -1.26 -5.00 117.38 117.65 3a1j n GLN 217 Ca 0.36 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.02 3a1j n GLN 217 Cb 0.90 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.46 3a1j n GLN 217 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3a1j s THR 218 N -2.00 5.07 -0.02 1.69 2.01 -1.26 -4.08 115.64 117.05 3a1j s THR 218 Ca 0.00 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.34 3a1j s THR 218 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3a1j s THR 218 CO 0.00 -0.16 -0.21 -1.10 -0.69 0.00 0.00 174.62 172.46 3a1j s GLN 219 N 2.26 2.22 -0.25 4.92 -1.52 -1.26 -5.00 119.66 121.03 3a1j s GLN 219 Ca 0.16 -0.87 -0.03 0.00 -1.95 0.00 0.00 55.36 52.68 3a1j s GLN 219 Cb -0.16 -2.16 0.08 0.00 -0.22 0.00 0.00 33.01 30.55 3a1j s GLN 219 CO 0.12 0.58 0.09 0.08 -0.25 0.00 0.00 175.29 175.91 3a1j s VAL 220 N -0.69 0.38 0.11 1.09 1.01 -1.26 -4.26 120.40 116.78 3a1j s VAL 220 Ca 0.11 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3a1j s VAL 220 Cb -0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3a1j s VAL 220 CO 0.00 -0.49 -0.26 0.20 0.00 0.00 0.00 175.10 174.55 3a1j s ASN 221 N 1.90 3.31 0.06 3.32 -0.87 -0.39 -4.97 114.94 117.31 3a1j s ASN 221 Ca 0.05 -0.70 0.06 0.00 -1.57 0.00 0.00 52.86 50.70 3a1j s ASN 221 Cb -0.17 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.25 40.77 3a1j s ASN 221 CO -0.21 0.20 -0.11 -0.13 -2.57 0.00 0.00 177.10 174.28 3a1j s ARG 222 N -1.86 2.21 -0.01 -0.60 0.52 -1.26 -0.25 118.95 117.71 3a1j s ARG 222 Ca 0.14 -0.94 -0.05 0.00 -0.52 0.00 0.00 55.73 54.35 3a1j s ARG 222 Cb -0.10 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.05 3a1j s ARG 222 CO 0.05 0.54 0.11 0.71 0.02 0.00 0.00 175.30 176.73 3a1j s TYR 223 N -1.09 0.03 -0.24 -0.53 2.02 0.10 -0.49 117.35 117.15 3a1j s TYR 223 Ca 0.19 -0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.52 3a1j s TYR 223 Cb -0.11 -0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.39 3a1j s TYR 223 CO 0.10 -0.21 1.50 0.15 -1.57 0.00 0.00 175.55 175.51 3a1j s LYS 224 N -1.01 3.87 0.32 -0.62 1.02 -1.26 -0.21 119.74 121.84 3a1j s LYS 224 Ca -0.11 1.54 0.07 0.00 0.02 0.00 0.00 55.97 57.49 3a1j s LYS 224 Cb -0.06 -3.97 0.77 0.00 -0.52 0.00 0.00 37.83 34.05 3a1j s LYS 224 CO 0.01 -1.20 1.79 0.97 -0.92 0.00 0.00 175.35 176.00 3a1j h ILE 225 N 6.03 0.71 0.00 2.17 6.09 -1.61 -1.04 117.51 129.86 3a1j h ILE 225 Ca -0.31 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.92 3a1j h ILE 225 Cb 1.13 -0.09 -0.00 0.00 0.47 0.00 0.00 36.82 38.33 3a1j h ILE 225 CO 1.01 0.13 -0.06 0.77 -3.07 0.00 0.00 178.15 176.93 3a1j h SER 226 N 0.73 0.00 0.87 2.19 4.64 -1.90 -0.81 113.55 119.27 3a1j h SER 226 Ca 0.57 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.75 3a1j h SER 226 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3a1j h SER 226 CO -0.36 0.06 -0.66 -0.07 -0.87 0.00 0.00 176.83 174.93 3a1j h LEU 227 N 0.00 0.00 0.00 5.97 3.38 -1.57 -3.24 115.31 119.85 3a1j h LEU 227 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a1j h LEU 227 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3a1j h LEU 227 CO 0.01 0.66 -0.87 0.18 0.09 0.00 0.00 178.44 178.51 3a1j n LEU 228 N -3.56 0.71 -0.19 1.67 4.77 -0.45 -4.45 117.00 115.50 3a1j n LEU 228 Ca -0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3a1j n LEU 228 Cb 0.70 -0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.77 3a1j n LEU 228 CO 0.42 -0.07 0.89 0.50 -1.33 0.00 0.00 177.39 177.80 3a1j h LYS 229 N 0.00 0.20 0.00 3.23 3.64 -1.23 -1.51 116.57 120.90 3a1j h LYS 229 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3a1j h LYS 229 Cb 0.83 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3a1j h LYS 229 CO 0.00 0.13 0.00 -1.00 -2.27 0.00 0.00 179.45 176.31 3a1j h PRO 230 N 0.21 0.00 0.00 1.90 0.13 -1.78 -1.96 132.00 130.50 3a1j h PRO 230 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 3a1j h PRO 230 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 3a1j h PRO 230 CO -0.43 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.21 3a1j n SER 231 N -2.50 0.00 -0.06 1.44 3.41 -0.57 -2.44 113.62 112.90 3a1j n SER 231 Ca -0.01 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 3a1j n SER 231 Cb 0.08 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 3a1j n SER 231 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3a1j h THR 232 N 0.00 1.28 -0.13 6.66 2.02 -1.53 -2.82 112.91 118.39 3a1j h THR 232 Ca 0.00 -1.48 0.04 0.00 0.77 0.00 0.00 66.41 65.74 3a1j h THR 232 Cb 0.13 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 3a1j h THR 232 CO 0.00 0.48 -0.18 0.11 0.37 0.00 0.00 175.52 176.30 3a1j h LYS 233 N 0.61 -0.22 -0.70 6.66 1.57 -1.72 -1.41 116.57 121.36 3a1j h LYS 233 Ca 0.07 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3a1j h LYS 233 Cb 0.86 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3a1j h LYS 233 CO 0.07 -0.15 0.27 0.00 -0.57 0.00 0.00 179.45 179.08 3a1j h ALA 234 N 0.80 1.16 -0.51 3.86 0.00 -1.55 -2.95 119.26 120.06 3a1j h ALA 234 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3a1j h ALA 234 Cb 0.37 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3a1j h ALA 234 CO -0.27 0.60 0.25 1.25 0.00 0.00 0.00 179.25 181.09 3a1j h LEU 235 N 1.01 0.35 -1.09 0.00 5.85 -1.06 -1.64 115.31 118.74 3a1j h LEU 235 Ca 0.24 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.07 3a1j h LEU 235 Cb 0.20 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 3a1j h LEU 235 CO -0.02 0.24 0.61 0.58 -0.34 0.00 0.00 178.44 179.52 3a1j h VAL 236 N 0.49 1.03 0.00 1.05 2.07 -1.12 -2.66 116.25 117.12 3a1j h VAL 236 Ca 0.23 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3a1j h VAL 236 Cb 0.15 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 3a1j h VAL 236 CO -0.17 0.19 -0.70 -0.07 0.02 0.00 0.00 177.57 176.84 3a1j h LEU 237 N 1.04 0.00-10.54 2.57 3.38 -1.48 -3.47 115.31 106.80 3a1j h LEU 237 Ca 0.42 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.94 3a1j h LEU 237 Cb 0.28 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.16 3a1j h LEU 237 CO -0.18 0.17 0.33 -0.94 0.09 0.00 0.00 178.44 177.91 3a1j s SER 238 N -5.84 3.57 0.00 -0.43 1.04 -0.65 -4.52 113.70 106.87 3a1j s SER 238 Ca 0.02 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.30 3a1j s SER 238 Cb 0.08 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.86 3a1j s SER 238 CO 0.75 -2.50 0.00 0.00 0.98 0.00 0.00 173.24 172.47 3a1j s LYS 240 N -0.70 0.79 -0.16 0.00 1.02 -1.26 -2.69 119.74 116.74 3a1j s LYS 240 Ca 0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 3a1j s LYS 240 Cb 0.00 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.71 3a1j s LYS 240 CO 0.00 -0.25 0.39 0.54 -0.92 0.00 0.00 175.35 175.11 3a1j s VAL 241 N -2.31 -0.02 -0.05 3.17 0.11 -0.88 -4.44 120.40 115.98 3a1j s VAL 241 Ca -0.07 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3a1j s VAL 241 Cb -0.02 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3a1j s VAL 241 CO -0.02 0.04 -0.07 -0.94 -3.33 0.00 0.00 175.10 170.78 3a1j s SER 242 N 1.25 4.63 -0.15 3.54 1.04 -0.58 -0.16 113.70 123.28 3a1j s SER 242 Ca -0.08 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.31 3a1j s SER 242 Cb -0.08 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.90 3a1j s SER 242 CO -0.11 0.35 -0.18 -0.63 0.98 0.00 0.00 173.24 173.65 3a1j s ILE 243 N -0.85 2.39 0.00 -1.02 1.01 0.45 -1.93 121.20 121.26 3a1j s ILE 243 Ca 0.13 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.92 3a1j s ILE 243 Cb -0.11 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3a1j s ILE 243 CO 0.03 0.53 -0.03 -0.13 0.00 0.00 0.00 174.94 175.34 3a1j s ARG 244 N 0.82 0.23 0.08 2.79 0.52 -0.08 -1.21 118.95 122.11 3a1j s ARG 244 Ca -0.06 -0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3a1j s ARG 244 Cb -0.15 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 3a1j s ARG 244 CO -0.01 0.04 -0.19 0.95 0.02 0.00 0.00 175.30 176.11 3a1j s THR 245 N -0.28 1.56 0.32 0.02 -4.23 -1.20 0.64 115.64 112.48 3a1j s THR 245 Ca -0.01 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3a1j s THR 245 Cb -0.02 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.42 3a1j s THR 245 CO -0.00 -0.02 0.18 -0.90 -0.54 0.00 0.00 174.62 173.33 3a1j n ASP 246 N 1.34 2.26 0.30 3.99 5.68 -1.00 -2.15 116.55 126.97 3a1j n ASP 246 Ca -0.19 -2.18 0.16 0.00 -0.50 0.00 0.00 54.79 52.08 3a1j n ASP 246 Cb 0.54 0.04 0.96 0.00 -1.14 0.00 0.00 41.12 41.51 3a1j n ASP 246 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3a1j h ASN 247 N 0.48 0.00 1.98 -1.12 7.08 -1.87 -0.59 115.58 121.54 3a1j h ASN 247 Ca -0.22 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 3a1j h ASN 247 Cb 0.76 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.00 3a1j h ASN 247 CO 0.35 0.01 -0.01 0.03 -2.08 0.00 0.00 177.43 175.72 3a1j h ARG 248 N 0.00 0.00 0.00 4.14 3.08 -1.95 -3.47 114.38 116.18 3a1j h ARG 248 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a1j h ARG 248 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3a1j h ARG 248 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3a1j n GLY 249 N 1.10 0.54 3.77 0.04 0.00 -0.23 -4.85 105.19 105.55 3a1j n GLY 249 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3a1j n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a1j s PHE 250 N -2.00 2.69 -0.10 1.61 0.08 -1.26 -4.11 117.98 114.89 3a1j s PHE 250 Ca 0.00 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.53 3a1j s PHE 250 Cb 0.00 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3a1j s PHE 250 CO 0.00 -1.79 0.03 -1.17 -0.10 0.00 0.00 175.22 172.20 3a1j s LEU 251 N -3.42 3.76 -0.10 -0.37 2.96 0.14 -2.38 118.68 119.28 3a1j s LEU 251 Ca 0.69 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3a1j s LEU 251 Cb -0.29 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3a1j s LEU 251 CO 0.34 0.36 -0.11 -0.55 -1.32 0.00 0.00 176.35 175.07 3a1j s SER 252 N -0.77 2.12 -0.14 3.68 0.15 0.21 -1.20 113.70 117.75 3a1j s SER 252 Ca 0.12 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.45 3a1j s SER 252 Cb -0.12 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 3a1j s SER 252 CO 0.02 -0.04 -0.16 -0.76 1.20 0.00 0.00 173.24 173.50 3a1j s LEU 253 N 1.21 1.80 -0.20 3.45 1.02 0.11 -0.90 118.68 125.17 3a1j s LEU 253 Ca -0.04 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.62 3a1j s LEU 253 Cb -0.14 -1.21 0.02 0.00 0.02 0.00 0.00 46.19 44.88 3a1j s LEU 253 CO -0.03 -0.00 -0.15 -1.10 0.02 0.00 0.00 176.35 175.08 3a1j s GLN 254 N 1.19 2.91 0.00 1.70 -0.21 -0.81 0.66 119.66 125.10 3a1j s GLN 254 Ca -0.01 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.47 3a1j s GLN 254 Cb -0.14 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.16 3a1j s GLN 254 CO -0.06 -0.28 0.00 0.66 -2.12 0.00 0.00 175.29 173.49 3a1j n TYR 255 N 4.62 0.00 0.00 0.91 4.01 0.17 -1.52 117.16 125.35 3a1j n TYR 255 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3a1j n TYR 255 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3a1j n TYR 255 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3a1j n ILE 257 N 0.00 0.00 -3.67 -0.72 5.41 0.16 -1.22 119.36 119.32 3a1j n ILE 257 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 3a1j n ILE 257 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 3a1j n ILE 257 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3a1j s ARG 258 N -0.22 3.56 0.82 0.38 3.52 -1.26 0.21 118.95 125.95 3a1j s ARG 258 Ca 0.00 -0.57 -0.14 0.00 -0.13 0.00 0.00 55.73 54.90 3a1j s ARG 258 Cb 0.00 -3.52 0.20 0.00 -1.56 0.00 0.00 34.95 30.07 3a1j s ARG 258 CO 0.00 -0.30 0.84 0.27 -0.81 0.00 0.00 175.30 175.30 3a1j n ASN 259 N 4.99 -1.17 0.30 -2.12 0.23 0.22 -4.85 115.26 112.86 3a1j n ASN 259 Ca -0.14 -1.10 0.18 0.00 -0.53 0.00 0.00 54.58 52.99 3a1j n ASN 259 Cb 0.50 -0.72 0.91 0.00 -2.08 0.00 0.00 39.78 38.39 3a1j n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3a1j h GLU 260 N 0.00 0.00 -0.93 -3.83 5.08 -1.92 -2.02 114.58 110.97 3a1j h GLU 260 Ca -0.30 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.65 3a1j h GLU 260 Cb 0.88 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.89 3a1j h GLU 260 CO 0.20 0.03 0.52 -0.25 -1.00 0.00 0.00 179.01 178.52 3a1j n ASP 261 N -3.25 4.08 0.00 1.42 8.00 -1.26 -4.91 116.55 120.63 3a1j n ASP 261 Ca -0.01 -3.44 0.00 0.00 0.71 0.00 0.00 54.79 52.05 3a1j n ASP 261 Cb 0.19 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 3a1j n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1j n GLY 262 N -0.79 0.70 3.77 0.44 0.00 -0.76 -4.97 105.19 103.59 3a1j n GLY 262 Ca 0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 3a1j n GLY 262 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1j s GLN 263 N -0.21 2.97 -0.11 1.61 -0.21 -1.26 -4.68 119.66 117.77 3a1j s GLN 263 Ca 0.00 1.43 -0.03 0.00 0.02 0.00 0.00 55.36 56.78 3a1j s GLN 263 Cb 0.00 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 3a1j s GLN 263 CO 0.00 -1.12 0.01 0.42 -2.12 0.00 0.00 175.29 172.48 3a1j s ILE 264 N -2.22 4.37 0.06 1.08 -1.09 -1.26 -0.61 121.20 121.53 3a1j s ILE 264 Ca 0.68 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 3a1j s ILE 264 Cb -0.21 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3a1j s ILE 264 CO 0.38 0.57 -0.08 0.00 -1.23 0.00 0.00 174.94 174.58 3a1j s PHE 266 N -1.82 2.41 -0.01 0.00 0.08 -1.25 0.38 117.98 117.76 3a1j s PHE 266 Ca -0.05 -0.34 0.06 0.00 0.12 0.00 0.00 56.93 56.72 3a1j s PHE 266 Cb -0.07 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3a1j s PHE 266 CO -0.00 0.31 -0.19 0.08 -0.10 0.00 0.00 175.22 175.31 3a1j s VAL 267 N -1.03 1.51 -0.07 -0.44 1.01 -0.36 -2.43 120.40 118.60 3a1j s VAL 267 Ca 0.15 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3a1j s VAL 267 Cb -0.10 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3a1j s VAL 267 CO 0.06 0.41 -0.14 -1.61 0.00 0.00 0.00 175.10 173.83 3a1j s GLU 268 N -0.49 1.81 -0.13 2.72 2.02 0.25 0.45 118.70 125.33 3a1j s GLU 268 Ca 0.07 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.61 3a1j s GLU 268 Cb -0.07 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.67 3a1j s GLU 268 CO -0.01 0.06 -0.19 0.71 0.02 0.00 0.00 175.26 175.85 3a1j s TYR 269 N 0.57 2.69 -0.03 1.61 2.02 0.21 -1.03 117.35 123.39 3a1j s TYR 269 Ca -0.14 -1.03 0.07 0.00 -0.37 0.00 0.00 57.07 55.61 3a1j s TYR 269 Cb -0.15 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 3a1j s TYR 269 CO 0.04 -0.43 -0.26 0.71 -1.57 0.00 0.00 175.55 174.04 3a1j s TYR 270 N 0.56 2.37 -0.05 2.71 2.02 -0.51 0.09 117.35 124.53 3a1j s TYR 270 Ca -0.12 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.04 3a1j s TYR 270 Cb -0.16 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3a1j s TYR 270 CO 0.04 -0.09 0.12 0.00 -1.57 0.00 0.00 175.55 174.04 3a1j s PRO 273 N -3.50 1.82 -0.18 0.00 0.04 -1.26 -4.80 135.00 127.12 3a1j s PRO 273 Ca 0.65 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.16 3a1j s PRO 273 Cb -0.15 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3a1j s PRO 273 CO 0.24 -1.78 0.12 0.34 0.04 0.00 0.00 177.00 175.96 3a1j s ASP 274 N -3.92 6.12 0.00 6.66 2.15 0.35 -4.94 116.67 123.09 3a1j s ASP 274 Ca 0.62 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.83 3a1j s ASP 274 Cb -0.15 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3a1j s ASP 274 CO 0.54 0.21 0.13 -0.62 -0.17 0.00 0.00 175.17 175.26