#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1j s ARG 2 N 0.00 3.47 0.43 0.54 0.52 -1.26 -5.12 118.95 117.53 1v1j s ARG 2 Ca 0.00 -0.45 0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1v1j s ARG 2 Cb 0.00 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1v1j s ARG 2 CO 0.00 0.51 0.52 -1.54 0.02 0.00 0.00 175.30 174.80 1v1j s SER 3 N -2.97 5.43 0.63 0.23 1.04 -1.26 -4.73 113.70 112.06 1v1j s SER 3 Ca 0.36 -0.55 0.32 0.00 0.48 0.00 0.00 55.95 56.56 1v1j s SER 3 Cb -0.12 -0.58 1.78 0.00 0.10 0.00 0.00 66.02 67.21 1v1j s SER 3 CO 0.28 -0.75 2.08 -0.07 0.98 0.00 0.00 173.24 175.76 1v1j h LEU 4 N 0.75 0.00 0.00 2.42 4.07 -1.86 -1.62 115.31 119.06 1v1j h LEU 4 Ca -0.40 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.50 1v1j h LEU 4 Cb 1.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1v1j h LEU 4 CO 0.49 0.00 -0.82 0.00 -1.08 0.00 0.00 178.44 177.03 1v1j h ALA 5 N 1.66 0.66 0.00 1.53 0.00 -1.92 -3.34 119.26 117.85 1v1j h ALA 5 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1v1j h ALA 5 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v1j h ALA 5 CO -0.00 0.31 -1.21 0.09 0.00 0.00 0.00 179.25 178.44 1v1j n ASN 6 N -2.90 0.56 -3.59 0.00 3.02 -0.64 -4.99 115.26 106.73 1v1j n ASN 6 Ca -0.01 -0.25 -0.14 0.00 -0.03 0.00 0.00 54.58 54.15 1v1j n ASN 6 Cb 0.64 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.79 1v1j n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v1j s ALA 7 N -3.24 -1.84 0.78 5.41 0.00 -1.01 -4.93 121.76 116.93 1v1j s ALA 7 Ca 0.02 1.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 1v1j s ALA 7 Cb 0.14 -0.79 0.06 0.00 0.00 0.00 0.00 23.12 22.53 1v1j s ALA 7 CO 0.83 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 176.10 1v1j s PRO 8 N -0.38 2.20 -0.10 0.00 0.04 -1.26 -4.30 135.00 131.19 1v1j s PRO 8 Ca -0.03 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.58 1v1j s PRO 8 Cb -0.03 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1v1j s PRO 8 CO 0.02 -1.58 0.72 0.42 0.04 0.00 0.00 177.00 176.62 1v1j s ILE 9 N -3.07 5.01 -0.12 0.56 1.01 0.20 -1.33 121.20 123.46 1v1j s ILE 9 Ca 0.60 1.45 -0.24 0.00 0.00 0.00 0.00 60.65 62.47 1v1j s ILE 9 Cb -0.15 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1v1j s ILE 9 CO 0.55 0.19 0.73 -0.32 0.00 0.00 0.00 174.94 176.09 1v1j s MET 10 N 1.20 4.35 -0.29 2.79 -2.45 -0.96 -0.48 119.30 123.45 1v1j s MET 10 Ca 0.37 0.87 -0.04 0.00 -1.25 0.00 0.00 55.69 55.64 1v1j s MET 10 Cb -0.17 -3.51 0.03 0.00 1.25 0.00 0.00 34.83 32.43 1v1j s MET 10 CO 0.16 -0.11 0.03 0.42 1.05 0.00 0.00 175.02 176.56 1v1j s ILE 11 N 1.42 3.37 -0.14 10.11 -1.09 0.09 -1.12 121.20 133.83 1v1j s ILE 11 Ca 0.36 -1.07 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1v1j s ILE 11 Cb -0.17 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 1v1j s ILE 11 CO 0.15 -0.00 0.00 -0.76 -1.23 0.00 0.00 174.94 173.10 1v1j s LEU 12 N 1.36 3.51 -0.09 2.97 1.43 -0.09 -1.19 118.68 126.58 1v1j s LEU 12 Ca -0.01 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1v1j s LEU 12 Cb -0.18 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1v1j s LEU 12 CO -0.00 0.24 -0.22 0.20 0.23 0.00 0.00 176.35 176.79 1v1j s ASN 13 N -0.03 2.88 0.44 2.29 0.01 0.26 -1.13 114.94 119.67 1v1j s ASN 13 Ca 0.03 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1v1j s ASN 13 Cb -0.13 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.28 1v1j s ASN 13 CO 0.02 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 1v1j n GLY 14 N 3.50 0.05 3.70 0.66 0.00 0.37 -1.23 105.19 112.23 1v1j n GLY 14 Ca -0.19 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 1v1j n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v1j n PRO 15 N -0.69 0.99 -0.21 1.61 -0.04 -0.99 -3.18 135.00 132.50 1v1j n PRO 15 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1v1j n PRO 15 Cb 0.00 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1v1j n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1v1j n ASN 16 N -1.80 0.00 0.22 3.54 3.02 -1.26 -4.59 115.26 114.39 1v1j n ASN 16 Ca 0.15 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.85 1v1j n ASN 16 Cb 0.48 -1.32 0.54 0.00 -0.61 0.00 0.00 39.78 38.87 1v1j n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1v1j h LEU 17 N 0.00 0.00 -2.35 3.41 3.38 -1.92 -0.87 115.31 116.96 1v1j h LEU 17 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1v1j h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v1j h LEU 17 CO 0.00 0.00 0.21 -0.55 0.09 0.00 0.00 178.44 178.19 1v1j h ASN 18 N 0.00 0.00 -0.68 -0.43 -1.07 -1.88 0.50 115.58 112.02 1v1j h ASN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1v1j h ASN 18 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1v1j h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1v1j n LEU 19 N -3.17 4.20 -4.59 6.14 4.77 -0.33 -4.84 117.00 119.17 1v1j n LEU 19 Ca -0.01 -2.11 -0.48 0.00 -0.03 0.00 0.00 56.01 53.38 1v1j n LEU 19 Cb 0.28 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1v1j n LEU 19 CO 0.19 0.88 0.73 -0.11 -1.33 0.00 0.00 177.39 177.75 1v1j n LEU 20 N 1.38 1.71 0.00 2.23 7.94 0.16 -2.05 117.00 128.38 1v1j n LEU 20 Ca 0.25 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.29 1v1j n LEU 20 Cb 0.72 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1v1j n LEU 20 CO 0.20 -1.23 0.00 0.61 -1.11 0.00 0.00 177.39 175.85 1v1j n GLY 21 N 1.95 0.55 0.00 -3.96 0.00 -1.09 -4.15 105.19 98.49 1v1j n GLY 21 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1v1j n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1v1j n GLN 22 N -2.85 -0.56 -3.54 1.61 6.02 -0.87 -4.76 117.38 112.44 1v1j n GLN 22 Ca 0.00 -0.31 -0.17 0.00 -0.01 0.00 0.00 57.00 56.50 1v1j n GLN 22 Cb 0.00 -0.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 1v1j n GLN 22 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1v1j s ARG 23 N -0.01 1.02 -1.33 -1.09 3.03 -1.26 -4.98 118.95 114.34 1v1j s ARG 23 Ca 0.00 0.34 -0.11 0.00 2.03 0.00 0.00 55.73 58.00 1v1j s ARG 23 Cb 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 34.95 34.41 1v1j s ARG 23 CO 0.00 -0.30 0.50 1.04 -1.13 0.00 0.00 175.30 175.42 1v1j n GLN 24 N 1.15 -2.00 -0.34 3.89 6.02 -1.26 -4.67 117.38 120.16 1v1j n GLN 24 Ca -0.18 0.33 -0.04 0.00 -0.01 0.00 0.00 57.00 57.10 1v1j n GLN 24 Cb 0.57 -4.01 0.09 0.00 1.02 0.00 0.00 30.24 27.91 1v1j n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1v1j h PRO 25 N -1.97 1.24 -0.12 -1.09 0.13 -1.94 0.18 132.00 128.44 1v1j h PRO 25 Ca -0.66 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 64.39 1v1j h PRO 25 Cb 1.38 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1v1j h PRO 25 CO 0.58 0.88 0.27 0.93 -0.23 0.00 0.00 178.00 180.43 1v1j h GLU 26 N 1.26 0.00 0.00 0.86 3.07 -1.88 2.28 114.58 120.16 1v1j h GLU 26 Ca 0.33 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.73 1v1j h GLU 26 Cb -0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.80 1v1j h GLU 26 CO -0.06 0.00 -2.54 -0.89 -1.40 0.00 0.00 179.01 174.12 1v1j n ILE 27 N -3.28 1.52 0.55 3.13 5.41 -0.52 -4.73 119.36 121.44 1v1j n ILE 27 Ca 0.00 -0.41 0.06 0.00 1.00 0.00 0.00 62.75 63.40 1v1j n ILE 27 Cb 0.37 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.40 1v1j n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1v1j n TYR 28 N -4.11 0.00 -0.89 1.39 4.02 0.50 -4.41 117.16 113.67 1v1j n TYR 28 Ca -0.54 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 1v1j n TYR 28 Cb 0.90 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 40.18 1v1j n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1v1j n GLY 29 N 1.38 -2.65 0.35 2.72 0.00 0.77 -4.72 105.19 103.03 1v1j n GLY 29 Ca 0.02 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.24 1v1j n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v1j n SER 30 N 0.01 2.40 -4.82 1.61 3.41 -1.26 -4.03 113.62 110.95 1v1j n SER 30 Ca 0.00 -1.91 -0.33 0.00 -0.26 0.00 0.00 58.87 56.37 1v1j n SER 30 Cb 0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1v1j n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1v1j s ASP 31 N -0.94 6.97 0.66 4.04 1.01 -1.26 -4.71 116.67 122.44 1v1j s ASP 31 Ca 0.12 1.67 0.03 0.00 0.71 0.00 0.00 52.55 55.09 1v1j s ASP 31 Cb 0.07 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.58 1v1j s ASP 31 CO 0.09 -0.31 0.91 0.42 0.21 0.00 0.00 175.17 176.49 1v1j s THR 32 N -2.09 2.17 0.26 -1.27 -4.23 -1.26 -2.68 115.64 106.54 1v1j s THR 32 Ca 0.60 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1v1j s THR 32 Cb -0.10 -2.42 0.06 0.00 1.34 0.00 0.00 72.50 71.37 1v1j s THR 32 CO 0.15 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.17 1v1j h LEU 33 N -0.24 0.58 -1.18 4.79 5.85 -1.83 -1.48 115.31 121.80 1v1j h LEU 33 Ca -0.34 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1v1j h LEU 33 Cb 1.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1v1j h LEU 33 CO 0.41 0.80 0.17 0.00 -0.34 0.00 0.00 178.44 179.48 1v1j h ALA 34 N 1.24 1.35 -0.58 1.25 0.00 -1.94 -0.40 119.26 120.18 1v1j h ALA 34 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1v1j h ALA 34 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1v1j h ALA 34 CO 0.05 0.48 0.19 -0.44 0.00 0.00 0.00 179.25 179.53 1v1j h ASP 35 N 0.73 0.79 -0.22 0.00 3.32 -1.67 -2.12 116.42 117.25 1v1j h ASP 35 Ca 0.17 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1v1j h ASP 35 Cb 0.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1v1j h ASP 35 CO -0.01 0.74 -0.16 0.58 -1.72 0.00 0.00 179.24 178.67 1v1j h VAL 36 N 0.84 1.32 -0.71 -1.35 2.07 -0.40 -2.27 116.25 115.74 1v1j h VAL 36 Ca 0.19 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.52 1v1j h VAL 36 Cb 0.23 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1v1j h VAL 36 CO -0.01 0.39 0.37 -0.08 0.02 0.00 0.00 177.57 178.26 1v1j h GLU 37 N 0.19 0.62 -0.41 1.57 4.81 -0.91 0.11 114.58 120.57 1v1j h GLU 37 Ca 0.04 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1v1j h GLU 37 Cb 0.68 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1v1j h GLU 37 CO 0.04 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 1v1j h ALA 38 N 1.41 1.25 -0.62 2.92 0.00 -1.20 0.16 119.26 123.17 1v1j h ALA 38 Ca 0.34 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1v1j h ALA 38 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1v1j h ALA 38 CO -0.24 0.50 0.10 -0.07 0.00 0.00 0.00 179.25 179.54 1v1j h LEU 39 N 0.62 1.00 -0.67 0.00 3.38 -0.46 -2.45 115.31 116.73 1v1j h LEU 39 Ca 0.13 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1v1j h LEU 39 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1v1j h LEU 39 CO 0.01 1.01 -0.13 0.00 0.09 0.00 0.00 178.44 179.42 1v1j h VAL 41 N 0.80 1.15 -0.18 0.00 2.07 -0.46 -0.29 116.25 119.33 1v1j h VAL 41 Ca 0.12 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1v1j h VAL 41 Cb 0.66 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1v1j h VAL 41 CO 0.05 0.16 0.07 0.50 0.02 0.00 0.00 177.57 178.36 1v1j h LYS 42 N 0.57 0.28 -0.52 1.57 3.64 -1.28 -0.48 116.57 120.35 1v1j h LYS 42 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1v1j h LYS 42 Cb 0.03 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1v1j h LYS 42 CO -0.03 0.36 0.33 0.00 -2.27 0.00 0.00 179.45 177.84 1v1j h ALA 43 N 0.91 0.66 -0.36 5.00 0.00 -1.05 -2.41 119.26 122.01 1v1j h ALA 43 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1v1j h ALA 43 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1v1j h ALA 43 CO -0.00 0.13 -0.22 0.00 0.00 0.00 0.00 179.25 179.16 1v1j h ALA 44 N 1.17 0.95 -0.35 0.00 0.00 -0.83 -2.93 119.26 117.27 1v1j h ALA 44 Ca 0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1v1j h ALA 44 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1v1j h ALA 44 CO -0.04 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.87 1v1j h ALA 45 N 1.15 1.42 -0.01 0.00 0.00 -0.62 0.32 119.26 121.51 1v1j h ALA 45 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1v1j h ALA 45 Cb 0.70 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1v1j h ALA 45 CO 0.05 0.41 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1v1j h ALA 46 N 1.54 1.20 -0.22 0.00 0.00 -1.25 0.58 119.26 121.11 1v1j h ALA 46 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1v1j h ALA 46 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1v1j h ALA 46 CO 0.00 -0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.91 1v1j n HIS 47 N -3.26 0.29 -0.38 0.00 8.25 -0.04 -4.96 115.22 115.12 1v1j n HIS 47 Ca -0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1v1j n HIS 47 Cb 0.13 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1v1j n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v1j n GLY 48 N 0.89 0.78 2.93 -1.41 0.00 0.20 -4.94 105.19 103.64 1v1j n GLY 48 Ca 0.12 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1v1j n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v1j n GLY 49 N -2.38 3.66 3.32 -0.02 0.00 -0.38 -4.53 105.19 104.85 1v1j n GLY 49 Ca 0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 46.02 43.54 1v1j n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v1j s THR 50 N -2.52 0.62 0.10 2.61 -4.23 -1.26 -3.44 115.64 107.52 1v1j s THR 50 Ca 0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1v1j s THR 50 Cb 0.00 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1v1j s THR 50 CO 0.01 -0.05 -0.10 0.68 -0.54 0.00 0.00 174.62 174.62 1v1j s VAL 51 N -3.71 0.98 -0.26 2.29 -7.23 -1.26 -0.62 120.40 110.58 1v1j s VAL 51 Ca 0.36 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1v1j s VAL 51 Cb 0.08 -1.42 0.08 0.00 0.56 0.00 0.00 36.38 35.67 1v1j s VAL 51 CO 0.13 -0.57 0.02 -0.62 -0.31 0.00 0.00 175.10 173.75 1v1j s ASP 52 N -2.52 3.79 -0.24 4.85 -1.08 0.36 -4.87 116.67 116.97 1v1j s ASP 52 Ca 0.07 -1.33 -0.07 0.00 -0.52 0.00 0.00 52.55 50.70 1v1j s ASP 52 Cb -0.02 -1.01 -0.03 0.00 -1.46 0.00 0.00 42.92 40.40 1v1j s ASP 52 CO 0.00 -0.32 0.05 0.12 0.52 0.00 0.00 175.17 175.54 1v1j s PHE 53 N 1.51 3.06 0.08 -5.34 5.36 -1.26 -0.73 117.98 120.65 1v1j s PHE 53 Ca 0.01 -0.50 0.03 0.00 -0.96 0.00 0.00 56.93 55.51 1v1j s PHE 53 Cb -0.18 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1v1j s PHE 53 CO -0.12 -0.38 -0.08 1.03 -1.46 0.00 0.00 175.22 174.21 1v1j s ARG 54 N 1.54 0.73 -0.01 10.12 0.52 -0.33 -4.97 118.95 126.54 1v1j s ARG 54 Ca 0.06 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1v1j s ARG 54 Cb -0.15 -0.37 0.01 0.00 0.52 0.00 0.00 34.95 34.96 1v1j s ARG 54 CO 0.02 0.05 -0.02 -1.14 0.02 0.00 0.00 175.30 174.23 1v1j s GLN 55 N -2.59 0.26 0.01 3.54 -0.44 -1.26 -0.57 119.66 118.61 1v1j s GLN 55 Ca 0.01 -0.04 -0.11 0.00 -2.50 0.00 0.00 55.36 52.72 1v1j s GLN 55 Cb -0.04 -0.33 0.01 0.00 -1.64 0.00 0.00 33.01 31.02 1v1j s GLN 55 CO -0.01 -0.01 0.23 0.45 0.50 0.00 0.00 175.29 176.45 1v1j s SER 56 N 0.35 -0.07 0.00 6.67 0.15 -0.36 -4.96 113.70 115.47 1v1j s SER 56 Ca -0.03 -0.12 0.24 0.00 0.70 0.00 0.00 55.95 56.74 1v1j s SER 56 Cb -0.06 0.28 0.35 0.00 -1.71 0.00 0.00 66.02 64.88 1v1j s SER 56 CO -0.01 -0.46 1.32 0.59 1.20 0.00 0.00 173.24 175.89 1v1j n ASN 57 N 1.15 1.82 -4.49 5.45 3.02 -1.26 -2.34 115.26 118.62 1v1j n ASN 57 Ca -0.21 -1.40 -0.37 0.00 -0.03 0.00 0.00 54.58 52.56 1v1j n ASN 57 Cb 0.57 0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.88 1v1j n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1v1j s HIS 58 N -2.37 3.15 0.24 3.10 3.76 -1.26 -4.73 115.29 117.18 1v1j s HIS 58 Ca 0.24 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1v1j s HIS 58 Cb 0.19 -2.31 0.42 0.00 1.11 0.00 0.00 32.58 31.99 1v1j s HIS 58 CO 0.49 -0.32 1.73 1.49 -0.85 0.00 0.00 174.74 177.28 1v1j h GLU 59 N 8.30 0.42 0.00 1.40 4.81 -2.00 -1.88 114.58 125.64 1v1j h GLU 59 Ca -0.36 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1v1j h GLU 59 Cb 1.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1v1j h GLU 59 CO 0.58 0.28 -0.45 0.78 -0.73 0.00 0.00 179.01 179.47 1v1j h GLY 60 N 0.44 0.00 1.55 1.92 0.00 -1.99 -1.37 103.07 103.62 1v1j h GLY 60 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.51 1v1j h GLY 60 CO -0.39 0.00 -0.86 -2.09 0.00 0.00 0.00 176.54 173.21 1v1j h GLU 61 N 0.00 0.42 -0.70 4.80 4.81 -1.82 0.68 114.58 122.76 1v1j h GLU 61 Ca -0.00 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1v1j h GLU 61 Cb 0.87 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1v1j h GLU 61 CO 0.06 1.06 0.25 -0.07 -0.73 0.00 0.00 179.01 179.58 1v1j h LEU 62 N 0.26 0.99 -0.22 1.64 3.38 -0.79 0.34 115.31 120.91 1v1j h LEU 62 Ca -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1v1j h LEU 62 Cb 1.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1v1j h LEU 62 CO 0.15 0.91 0.09 0.58 0.09 0.00 0.00 178.44 180.26 1v1j h VAL 63 N 1.01 1.16 -0.74 1.22 2.07 -0.85 -0.68 116.25 119.44 1v1j h VAL 63 Ca 0.23 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1v1j h VAL 63 Cb 0.25 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1v1j h VAL 63 CO -0.01 0.16 0.40 0.44 0.02 0.00 0.00 177.57 178.57 1v1j h ASP 64 N 0.21 0.55 0.03 0.57 3.32 -0.37 -1.19 116.42 119.54 1v1j h ASP 64 Ca 0.07 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1v1j h ASP 64 Cb 0.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1v1j h ASP 64 CO -0.01 0.33 -0.20 -0.50 -1.72 0.00 0.00 179.24 177.14 1v1j h TRP 65 N 0.68 0.34 -0.67 4.55 6.55 -0.40 -1.44 115.95 125.55 1v1j h TRP 65 Ca 0.35 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 60.06 1v1j h TRP 65 Cb 0.32 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.50 1v1j h TRP 65 CO -0.09 0.50 0.10 0.82 -1.05 0.00 0.00 178.44 178.72 1v1j h ILE 66 N 0.29 1.27 -0.67 1.49 2.04 -0.22 -0.85 117.51 120.85 1v1j h ILE 66 Ca 0.05 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1v1j h ILE 66 Cb 0.52 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1v1j h ILE 66 CO 0.03 0.40 0.44 0.45 0.00 0.00 0.00 178.15 179.47 1v1j h HIS 67 N 1.05 0.85 -0.31 1.37 3.86 -0.36 -1.77 115.15 119.82 1v1j h HIS 67 Ca 0.20 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.29 1v1j h HIS 67 Cb 0.46 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1v1j h HIS 67 CO 0.03 0.54 -0.37 1.49 0.86 0.00 0.00 177.93 180.48 1v1j h GLU 68 N 0.91 0.73 -0.29 2.45 4.81 -0.58 -2.91 114.58 119.71 1v1j h GLU 68 Ca 0.24 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1v1j h GLU 68 Cb -0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1v1j h GLU 68 CO -0.05 0.98 -0.03 0.00 -0.73 0.00 0.00 179.01 179.18 1v1j h ALA 69 N 0.98 1.41 -0.28 2.92 0.00 -0.32 -1.70 119.26 122.27 1v1j h ALA 69 Ca 0.06 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1v1j h ALA 69 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1v1j h ALA 69 CO 0.08 0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.96 1v1j h ARG 70 N 0.43 0.00 0.00 0.00 3.08 -1.22 -1.38 114.38 115.29 1v1j h ARG 70 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1v1j h ARG 70 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1v1j h ARG 70 CO 0.01 0.00 -2.19 1.28 -1.07 0.00 0.00 179.97 178.00 1v1j n LEU 71 N -4.35 0.00 0.00 3.04 4.77 -0.71 -4.74 117.00 115.00 1v1j n LEU 71 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1v1j n LEU 71 Cb 0.37 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1v1j n LEU 71 CO 0.34 0.31 0.26 0.59 -1.33 0.00 0.00 177.39 177.56 1v1j n ASN 72 N -2.54 1.00 -4.35 -1.43 3.02 -0.76 -5.09 115.26 105.12 1v1j n ASN 72 Ca -0.22 -1.12 -0.18 0.00 -0.03 0.00 0.00 54.58 53.03 1v1j n ASN 72 Cb 0.92 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.99 1v1j n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1v1j s HIS 73 N -0.12 1.65 -1.51 3.10 3.76 -0.55 -4.37 115.29 117.25 1v1j s HIS 73 Ca 0.00 -0.83 0.23 0.00 -0.15 0.00 0.00 55.06 54.31 1v1j s HIS 73 Cb 0.00 -0.94 0.15 0.00 1.11 0.00 0.00 32.58 32.90 1v1j s HIS 73 CO 0.00 0.08 1.17 0.00 -0.85 0.00 0.00 174.74 175.14 1v1j n GLY 75 N 1.44 -0.22 2.84 0.00 0.00 -1.26 -4.45 105.19 103.53 1v1j n GLY 75 Ca 0.08 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1v1j n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v1j s ILE 76 N -2.00 0.24 -0.24 -0.61 1.01 -0.09 -2.27 121.20 117.24 1v1j s ILE 76 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1v1j s ILE 76 Cb 0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1v1j s ILE 76 CO 0.00 0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.45 1v1j s VAL 77 N 0.94 4.19 -0.03 2.92 1.01 -0.28 -1.07 120.40 128.09 1v1j s VAL 77 Ca -0.10 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1v1j s VAL 77 Cb -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1v1j s VAL 77 CO -0.01 0.36 -0.10 -0.51 0.00 0.00 0.00 175.10 174.84 1v1j s ILE 78 N 1.50 0.86 -0.49 2.22 2.07 0.53 -0.92 121.20 126.98 1v1j s ILE 78 Ca 0.06 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1v1j s ILE 78 Cb -0.15 -0.76 0.13 0.00 0.13 0.00 0.00 42.46 41.81 1v1j s ILE 78 CO 0.03 0.27 0.26 0.21 -1.91 0.00 0.00 174.94 173.79 1v1j s ASN 79 N 0.17 4.88 0.00 4.50 3.84 -0.28 -0.18 114.94 127.87 1v1j s ASN 79 Ca -0.03 -2.58 0.28 0.00 0.21 0.00 0.00 52.86 50.74 1v1j s ASN 79 Cb -0.09 -1.74 1.55 0.00 -0.55 0.00 0.00 41.25 40.42 1v1j s ASN 79 CO 0.01 -0.37 1.98 -2.65 -2.79 0.00 0.00 177.10 173.28 1v1j n PRO 80 N 3.78 0.68 0.00 0.43 -0.02 -1.26 -0.48 135.00 138.13 1v1j n PRO 80 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1v1j n PRO 80 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1v1j n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v1j n ALA 81 N -1.11 0.00 -0.00 3.55 0.00 -1.26 -2.33 120.51 119.36 1v1j n ALA 81 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.68 1v1j n ALA 81 Cb 0.14 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.05 1v1j n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1j h ALA 82 N -0.29 1.81 0.00 0.00 0.00 -1.93 0.24 119.26 119.09 1v1j h ALA 82 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1v1j h ALA 82 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1v1j h ALA 82 CO 0.00 0.14 -0.02 1.88 0.00 0.00 0.00 179.25 181.25 1v1j h TYR 83 N 0.47 0.00 -0.92 0.00 0.99 -1.86 -1.78 116.97 113.88 1v1j h TYR 83 Ca 0.17 0.00 0.26 0.00 2.00 0.00 0.00 58.73 61.16 1v1j h TYR 83 Cb 0.10 0.00 -0.15 0.00 1.00 0.00 0.00 36.73 37.68 1v1j h TYR 83 CO -0.00 0.02 0.26 0.77 -0.00 0.00 0.00 178.16 179.21 1v1j h SER 84 N 0.00 -0.00 0.33 3.88 0.02 -0.53 -0.26 113.55 116.98 1v1j h SER 84 Ca -0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1v1j h SER 84 Cb 0.12 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1v1j h SER 84 CO 0.00 -0.21 -0.37 1.41 -1.14 0.00 0.00 176.83 176.52 1v1j n HIS 85 N -5.25 0.00 0.00 3.45 8.25 -0.67 -1.36 115.22 119.64 1v1j n HIS 85 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1v1j n HIS 85 Cb 0.77 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1v1j n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1v1j n THR 86 N -0.98 0.00 -3.25 1.59 -2.24 -1.00 -4.85 114.28 103.55 1v1j n THR 86 Ca 0.09 -0.07 -0.46 0.00 -2.27 0.00 0.00 64.05 61.35 1v1j n THR 86 Cb 0.35 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 1v1j n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v1j s SER 87 N -0.63 6.19 0.49 3.42 0.15 -0.14 -4.80 113.70 118.38 1v1j s SER 87 Ca 0.00 -1.69 0.27 0.00 0.70 0.00 0.00 55.95 55.23 1v1j s SER 87 Cb 0.00 -2.24 1.23 0.00 -1.71 0.00 0.00 66.02 63.30 1v1j s SER 87 CO 0.00 -0.94 1.96 0.58 1.20 0.00 0.00 173.24 176.05 1v1j h VAL 88 N 5.89 0.50 -0.47 4.45 2.07 -1.95 -3.13 116.25 123.61 1v1j h VAL 88 Ca -0.29 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1v1j h VAL 88 Cb 1.10 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1v1j h VAL 88 CO 1.06 0.15 -0.02 0.00 0.02 0.00 0.00 177.57 178.78 1v1j h ALA 89 N 1.84 1.09 -0.06 1.67 0.00 -1.97 -1.35 119.26 120.48 1v1j h ALA 89 Ca -0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1v1j h ALA 89 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1v1j h ALA 89 CO 0.02 0.57 -0.82 0.82 0.00 0.00 0.00 179.25 179.85 1v1j h ILE 90 N 0.73 1.36 -0.15 0.00 2.04 -1.91 -1.87 117.51 117.72 1v1j h ILE 90 Ca 0.14 -2.21 0.02 0.00 1.00 0.00 0.00 64.86 63.81 1v1j h ILE 90 Cb 0.47 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1v1j h ILE 90 CO 0.02 0.67 0.03 0.25 0.00 0.00 0.00 178.15 179.12 1v1j h LEU 91 N 0.32 0.01 -1.42 1.44 5.85 -1.41 0.18 115.31 120.28 1v1j h LEU 91 Ca -0.05 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1v1j h LEU 91 Cb 1.42 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1v1j h LEU 91 CO 0.15 0.03 -0.27 0.44 -0.34 0.00 0.00 178.44 178.45 1v1j h ASP 92 N 0.10 0.03 -0.22 1.25 3.32 -1.20 -0.48 116.42 119.21 1v1j h ASP 92 Ca 0.07 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 1v1j h ASP 92 Cb 0.06 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1v1j h ASP 92 CO -0.09 0.30 -0.43 0.00 -1.72 0.00 0.00 179.24 177.30 1v1j h ALA 93 N 1.70 0.35 0.00 3.45 0.00 -0.53 -2.76 119.26 121.47 1v1j h ALA 93 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1v1j h ALA 93 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1v1j h ALA 93 CO 0.04 0.47 -0.10 -0.07 0.00 0.00 0.00 179.25 179.59 1v1j h LEU 94 N 0.38 0.00 -1.04 0.00 3.38 -0.56 -1.19 115.31 116.28 1v1j h LEU 94 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1v1j h LEU 94 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1v1j h LEU 94 CO 0.10 0.10 0.00 0.78 0.09 0.00 0.00 178.44 179.50 1v1j h ASN 95 N 0.00 0.00 1.13 -0.43 -0.26 -0.81 -1.35 115.58 113.86 1v1j h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1v1j h ASN 95 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1v1j h ASN 95 CO 0.01 0.00 -0.38 0.71 -1.06 0.00 0.00 177.43 176.71 1v1j h THR 96 N 0.00 0.00 0.00 2.81 1.35 -1.04 -3.39 112.91 112.64 1v1j h THR 96 Ca 0.00 -0.52 -0.68 0.00 -0.55 0.00 0.00 66.41 64.66 1v1j h THR 96 Cb 0.40 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1v1j h THR 96 CO 0.00 0.00 3.60 0.00 -0.25 0.00 0.00 175.52 178.87 1v1j n ASP 98 N 4.50 4.07 0.00 0.00 8.00 -1.26 -1.68 116.55 130.17 1v1j n ASP 98 Ca 0.69 0.95 0.00 0.00 0.71 0.00 0.00 54.79 57.14 1v1j n ASP 98 Cb 0.29 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1v1j n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v1j n GLY 99 N 4.36 2.22 3.70 0.44 0.00 -1.26 -4.97 105.19 109.68 1v1j n GLY 99 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1v1j n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1v1j s LEU 100 N 0.00 4.31 0.14 0.99 2.96 -0.68 -4.98 118.68 121.42 1v1j s LEU 100 Ca 0.00 1.46 -0.31 0.00 -0.22 0.00 0.00 54.13 55.06 1v1j s LEU 100 Cb 0.00 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.20 1v1j s LEU 100 CO 0.00 -0.28 1.32 -2.84 -1.32 0.00 0.00 176.35 173.23 1v1j s PRO 101 N 1.30 4.37 -0.09 0.98 0.02 -1.26 -4.90 135.00 135.41 1v1j s PRO 101 Ca 0.46 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.51 1v1j s PRO 101 Cb -0.19 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.10 1v1j s PRO 101 CO 0.22 -0.33 -0.15 0.08 -0.33 0.00 0.00 177.00 176.48 1v1j s VAL 102 N 0.71 1.44 -0.09 3.83 1.01 -1.26 -0.91 120.40 125.13 1v1j s VAL 102 Ca 0.60 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1v1j s VAL 102 Cb -0.35 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1v1j s VAL 102 CO 0.33 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.94 1v1j s VAL 103 N 0.78 2.26 -0.18 2.92 1.01 -0.23 -0.76 120.40 126.21 1v1j s VAL 103 Ca -0.11 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1v1j s VAL 103 Cb -0.16 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1v1j s VAL 103 CO 0.02 0.56 0.28 -0.70 0.00 0.00 0.00 175.10 175.25 1v1j s GLU 104 N 0.16 4.21 -0.02 2.72 2.12 -0.37 -0.35 118.70 127.17 1v1j s GLU 104 Ca -0.12 0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.30 1v1j s GLU 104 Cb -0.16 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1v1j s GLU 104 CO 0.07 0.16 -0.22 0.08 -0.54 0.00 0.00 175.26 174.81 1v1j s VAL 105 N 0.71 1.75 -0.05 3.70 1.01 0.74 -0.45 120.40 127.81 1v1j s VAL 105 Ca 0.15 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1v1j s VAL 105 Cb -0.13 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1v1j s VAL 105 CO 0.04 0.49 -0.07 -1.00 0.00 0.00 0.00 175.10 174.57 1v1j s HIS 106 N -0.43 1.00 0.04 5.22 3.76 0.45 -4.07 115.29 121.27 1v1j s HIS 106 Ca 0.06 -0.33 -0.21 0.00 -0.15 0.00 0.00 55.06 54.42 1v1j s HIS 106 Cb -0.09 -0.82 -0.14 0.00 1.11 0.00 0.00 32.58 32.63 1v1j s HIS 106 CO -0.00 -0.24 1.40 0.82 -0.85 0.00 0.00 174.74 175.88 1v1j h ILE 107 N 6.09 1.31 -3.47 0.60 2.04 -1.85 -1.18 117.51 121.06 1v1j h ILE 107 Ca -0.35 -1.06 -0.48 0.00 1.00 0.00 0.00 64.86 63.98 1v1j h ILE 107 Cb 1.16 1.74 0.04 0.00 -0.74 0.00 0.00 36.82 39.03 1v1j h ILE 107 CO 0.46 0.31 0.11 -0.94 0.00 0.00 0.00 178.15 178.09 1v1j s SER 108 N -5.89 5.84 -0.75 1.72 1.04 -1.26 -2.57 113.70 111.83 1v1j s SER 108 Ca -0.14 0.70 -0.20 0.00 0.48 0.00 0.00 55.95 56.79 1v1j s SER 108 Cb 0.05 -1.84 0.10 0.00 0.10 0.00 0.00 66.02 64.43 1v1j s SER 108 CO 0.72 -0.85 0.97 0.21 0.98 0.00 0.00 173.24 175.28 1v1j s ASN 109 N -4.23 6.36 0.52 7.02 3.84 -1.26 -2.60 114.94 124.59 1v1j s ASN 109 Ca 0.51 -1.50 0.35 0.00 0.21 0.00 0.00 52.86 52.43 1v1j s ASN 109 Cb -0.10 -2.39 1.81 0.00 -0.55 0.00 0.00 41.25 40.02 1v1j s ASN 109 CO 0.44 -1.22 2.07 0.16 -2.79 0.00 0.00 177.10 175.75 1v1j h ILE 110 N 5.89 0.00 0.00 -5.21 3.07 -1.92 -1.67 117.51 117.67 1v1j h ILE 110 Ca -0.12 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.19 1v1j h ILE 110 Cb 1.06 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1v1j h ILE 110 CO 1.13 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.64 1v1j n HIS 111 N -2.79 0.00 0.04 0.16 8.25 -1.26 -2.32 115.22 117.29 1v1j n HIS 111 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1v1j n HIS 111 Cb 0.11 -0.39 0.22 0.00 1.12 0.00 0.00 29.99 31.05 1v1j n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1v1j n GLN 112 N -1.39 2.47 0.00 -0.41 6.02 -0.63 -4.98 117.38 118.46 1v1j n GLN 112 Ca 0.10 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 1v1j n GLN 112 Cb 0.28 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1v1j n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1v1j n ARG 113 N 1.26 3.71 -1.76 -1.09 1.74 -0.98 -5.05 116.66 114.49 1v1j n ARG 113 Ca 0.18 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.86 1v1j n ARG 113 Cb 0.55 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.01 1v1j n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v1j n GLU 114 N 0.00 2.14 -0.23 5.56 4.71 -1.26 -4.91 120.64 126.65 1v1j n GLU 114 Ca 0.00 0.77 0.24 0.00 -0.01 0.00 0.00 57.16 58.16 1v1j n GLU 114 Cb 0.00 -2.62 0.61 0.00 -1.01 0.00 0.00 31.44 28.42 1v1j n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1v1j h PRO 115 N 2.11 0.20 0.00 3.49 0.11 -1.97 0.41 132.00 136.36 1v1j h PRO 115 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v1j h PRO 115 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1v1j h PRO 115 CO 0.60 0.13 0.00 1.97 -0.21 0.00 0.00 178.00 180.50 1v1j n PHE 116 N -4.41 0.89 1.13 0.65 1.16 -1.26 -2.00 117.46 113.62 1v1j n PHE 116 Ca 0.20 0.31 0.13 0.00 -1.87 0.00 0.00 57.45 56.22 1v1j n PHE 116 Cb 0.86 -1.00 0.45 0.00 -1.61 0.00 0.00 39.48 38.18 1v1j n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1v1j n ARG 117 N -2.27 0.27 0.21 3.97 1.74 0.13 -4.07 116.66 116.64 1v1j n ARG 117 Ca 0.03 -0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.06 1v1j n ARG 117 Cb 0.31 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.70 1v1j n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1v1j h HIS 118 N 0.28 0.00 -3.18 -1.55 3.86 -1.46 -3.44 115.15 109.66 1v1j h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1v1j h HIS 118 Cb 0.46 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.79 1v1j h HIS 118 CO 0.00 0.30 -0.59 -1.58 0.86 0.00 0.00 177.93 176.93 1v1j s HIS 119 N -3.95 3.25 -0.09 2.45 5.65 -1.26 -4.94 115.29 116.41 1v1j s HIS 119 Ca -0.02 0.21 0.01 0.00 0.25 0.00 0.00 55.06 55.51 1v1j s HIS 119 Cb 0.13 -1.88 0.02 0.00 -1.18 0.00 0.00 32.58 29.67 1v1j s HIS 119 CO 0.67 0.44 -0.11 0.45 -0.65 0.00 0.00 174.74 175.54 1v1j s SER 120 N -0.62 2.04 0.38 9.88 0.15 -1.26 -4.25 113.70 120.02 1v1j s SER 120 Ca 0.11 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.53 1v1j s SER 120 Cb -0.12 -0.87 0.76 0.00 -1.71 0.00 0.00 66.02 64.08 1v1j s SER 120 CO 0.02 -0.04 1.90 1.88 1.20 0.00 0.00 173.24 178.20 1v1j h TYR 121 N 7.57 0.24 0.00 3.44 -1.99 -1.54 -2.75 116.97 121.94 1v1j h TYR 121 Ca -0.31 -0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.31 1v1j h TYR 121 Cb 1.16 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.81 1v1j h TYR 121 CO 0.48 0.39 -0.37 0.28 -0.00 0.00 0.00 178.16 178.94 1v1j h VAL 122 N 0.22 1.10 0.00 -2.88 2.07 -1.88 -3.00 116.25 111.88 1v1j h VAL 122 Ca 0.04 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1v1j h VAL 122 Cb 0.41 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1v1j h VAL 122 CO 0.03 0.36 -0.02 0.28 0.02 0.00 0.00 177.57 178.24 1v1j h SER 123 N 0.00 0.00 0.37 0.57 0.02 -1.86 -0.07 113.55 112.58 1v1j h SER 123 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1v1j h SER 123 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1v1j h SER 123 CO 0.05 0.02 -0.27 1.56 -1.14 0.00 0.00 176.83 177.04 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.68 -3.29 115.11 117.78 1v1j h GLN 124 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1v1j h GLN 124 Cb 0.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 1v1j h GLN 124 CO 0.00 0.27 -2.22 -2.13 -0.67 0.00 0.00 178.83 174.09 1v1j n ARG 125 N -4.00 0.99 -1.74 1.46 3.00 -0.72 -5.02 116.66 110.63 1v1j n ARG 125 Ca -0.02 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.44 1v1j n ARG 125 Cb 0.34 -1.45 -0.00 0.00 0.00 0.00 0.00 32.46 31.35 1v1j n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1v1j n ALA 126 N -2.79 1.95 -0.11 5.13 0.00 -0.12 -4.89 120.51 119.68 1v1j n ALA 126 Ca -0.32 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1v1j n ALA 126 Cb 1.03 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1v1j n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v1j h ASP 127 N 2.87 0.75 -4.60 0.00 3.32 -1.29 -3.45 116.42 114.02 1v1j h ASP 127 Ca -0.49 -0.43 -0.29 0.00 0.02 0.00 0.00 57.03 55.84 1v1j h ASP 127 Cb 1.26 -0.21 -0.19 0.00 0.22 0.00 0.00 39.33 40.41 1v1j h ASP 127 CO 0.64 1.02 -0.73 -0.83 -1.72 0.00 0.00 179.24 177.62 1v1j s GLY 128 N -3.59 0.69 -0.05 2.75 0.00 -1.19 -5.06 107.32 100.86 1v1j s GLY 128 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1v1j s GLY 128 CO 0.82 -1.07 -0.08 0.14 0.00 0.00 0.00 173.10 172.91 1v1j s VAL 129 N -2.04 0.78 -0.12 1.40 1.01 -1.26 -1.23 120.40 118.94 1v1j s VAL 129 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1v1j s VAL 129 Cb -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1v1j s VAL 129 CO -0.00 0.27 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 1v1j s VAL 130 N 0.78 1.49 -0.01 2.92 1.01 0.41 -4.97 120.40 122.03 1v1j s VAL 130 Ca -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1v1j s VAL 130 Cb -0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1v1j s VAL 130 CO 0.02 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 1v1j s ALA 131 N 1.14 0.75 -0.34 5.51 0.00 -1.26 -0.41 121.76 127.14 1v1j s ALA 131 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1v1j s ALA 131 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1v1j s ALA 131 CO -0.04 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1v1j n GLY 132 N 2.84 0.62 2.06 0.00 0.00 -0.45 -4.77 105.19 105.50 1v1j n GLY 132 Ca -0.13 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1v1j n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v1j n GLY 134 N -0.65 0.50 0.17 0.00 0.00 -1.06 -2.59 105.19 101.56 1v1j n GLY 134 Ca 0.48 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1v1j n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1v1j h VAL 135 N 0.00 0.00 -0.02 1.61 -1.51 -1.88 -2.27 116.25 112.19 1v1j h VAL 135 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1v1j h VAL 135 Cb 0.00 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1v1j h VAL 135 CO 0.00 0.00 0.02 -0.61 -1.23 0.00 0.00 177.57 175.75 1v1j h GLN 136 N 0.00 0.00 -0.18 5.19 4.15 -1.93 -2.34 115.11 120.01 1v1j h GLN 136 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1v1j h GLN 136 Cb 0.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1v1j h GLN 136 CO 0.00 0.00 0.02 0.78 -1.93 0.00 0.00 178.83 177.70 1v1j h GLY 137 N 0.00 0.27 1.02 2.39 0.00 -1.14 0.17 103.07 105.77 1v1j h GLY 137 Ca 0.01 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1v1j h GLY 137 CO -0.00 0.12 0.50 -0.97 0.00 0.00 0.00 176.54 176.19 1v1j h TYR 138 N 0.25 0.83 -0.34 5.60 -1.99 -1.63 -0.42 116.97 119.28 1v1j h TYR 138 Ca 0.06 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 1v1j h TYR 138 Cb 0.15 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1v1j h TYR 138 CO 0.00 0.44 -0.19 0.28 -0.00 0.00 0.00 178.16 178.70 1v1j h VAL 139 N 0.82 1.29 -0.57 -2.88 2.07 -1.10 -1.79 116.25 114.09 1v1j h VAL 139 Ca 0.33 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1v1j h VAL 139 Cb 0.23 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1v1j h VAL 139 CO -0.11 0.43 0.23 -0.26 0.02 0.00 0.00 177.57 177.88 1v1j h PHE 140 N 0.50 0.40 -0.54 1.57 0.05 -1.21 -0.73 116.94 117.00 1v1j h PHE 140 Ca 0.07 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.91 1v1j h PHE 140 Cb 0.73 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.55 1v1j h PHE 140 CO 0.06 0.13 0.33 0.78 -0.18 0.00 0.00 178.31 179.43 1v1j h GLY 141 N 0.42 0.76 1.19 -1.45 0.00 -0.73 0.95 103.07 104.22 1v1j h GLY 141 Ca 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1v1j h GLY 141 CO -0.27 0.21 0.08 -2.08 0.00 0.00 0.00 176.54 174.49 1v1j h VAL 142 N 0.65 1.25 -0.42 4.60 2.07 -0.63 -1.91 116.25 121.87 1v1j h VAL 142 Ca 0.21 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1v1j h VAL 142 Cb 0.01 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1v1j h VAL 142 CO -0.09 0.37 -0.15 -0.08 0.02 0.00 0.00 177.57 177.65 1v1j h GLU 143 N 0.93 0.77 -0.36 1.57 4.57 -0.68 -0.98 114.58 120.40 1v1j h GLU 143 Ca 0.19 -0.27 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 1v1j h GLU 143 Cb 0.42 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1v1j h GLU 143 CO 0.01 0.87 -0.35 -0.09 -1.18 0.00 0.00 179.01 178.27 1v1j h ARG 144 N 0.69 0.82 -0.74 1.92 9.65 -0.50 -2.44 114.38 123.78 1v1j h ARG 144 Ca 0.11 -0.40 -0.04 0.00 -1.10 0.00 0.00 59.98 58.55 1v1j h ARG 144 Cb 0.63 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1v1j h ARG 144 CO 0.04 1.04 0.33 0.82 2.80 0.00 0.00 179.97 185.00 1v1j h ILE 145 N 0.68 1.25 -0.76 1.20 1.08 -1.17 -1.09 117.51 118.70 1v1j h ILE 145 Ca 0.07 -0.74 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1v1j h ILE 145 Cb 0.91 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1v1j h ILE 145 CO 0.08 0.30 0.50 0.00 -0.69 0.00 0.00 178.15 178.35 1v1j h ALA 146 N 1.16 1.53 0.00 1.87 0.00 -1.03 0.27 119.26 123.06 1v1j h ALA 146 Ca 0.25 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1v1j h ALA 146 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1v1j h ALA 146 CO -0.03 0.40 -0.83 0.00 0.00 0.00 0.00 179.25 178.80 1v1j h ALA 147 N 1.55 0.58 0.14 0.00 0.00 -0.87 -2.14 119.26 118.52 1v1j h ALA 147 Ca 0.30 -0.75 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 1v1j h ALA 147 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1v1j h ALA 147 CO -0.08 1.03 -1.63 -0.07 0.00 0.00 0.00 179.25 178.50 1v1j h LEU 148 N 0.00 0.47 -0.55 0.00 3.38 -0.75 -3.31 115.31 114.55 1v1j h LEU 148 Ca -0.01 -0.69 -0.16 0.00 0.09 0.00 0.00 57.88 57.12 1v1j h LEU 148 Cb 1.51 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1v1j h LEU 148 CO 0.11 1.58 -0.56 0.00 0.09 0.00 0.00 178.44 179.65 1v1j h ALA 149 N 0.35 0.74 0.00 1.53 0.00 -0.56 -3.50 119.26 117.82 1v1j h ALA 149 Ca -0.29 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1v1j h ALA 149 Cb 2.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1v1j h ALA 149 CO 0.16 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.52