#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 3.45 0.38 0.54 0.52 -1.26 -5.12 118.95 117.45 1v1j s ARG 2 Ca 0.00 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 1v1j s ARG 2 Cb 0.00 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1v1j s ARG 2 CO 0.00 0.51 0.39 -1.54 0.02 0.00 0.00 175.30 174.68 1v1j s SER 3 N -3.20 5.33 0.64 0.23 1.04 -1.26 -4.75 113.70 111.73 1v1j s SER 3 Ca 0.35 -0.54 0.30 0.00 0.48 0.00 0.00 55.95 56.54 1v1j s SER 3 Cb -0.11 -0.80 1.63 0.00 0.10 0.00 0.00 66.02 66.84 1v1j s SER 3 CO 0.29 -0.54 1.94 -0.07 0.98 0.00 0.00 173.24 175.84 1v1j h LEU 4 N 1.03 0.00 0.00 2.42 4.07 -1.86 -0.54 115.31 120.43 1v1j h LEU 4 Ca -0.43 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.48 1v1j h LEU 4 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1v1j h LEU 4 CO 0.55 0.00 -0.96 0.00 -1.08 0.00 0.00 178.44 176.95 1v1j h ALA 5 N 1.41 0.61 0.00 1.53 0.00 -1.91 -3.36 119.26 117.53 1v1j h ALA 5 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1v1j h ALA 5 Cb 0.74 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1v1j h ALA 5 CO -0.00 0.28 -1.24 0.09 0.00 0.00 0.00 179.25 178.38 1v1j n ASN 6 N -2.82 0.56 -3.59 0.00 3.02 -0.24 -4.99 115.26 107.21 1v1j n ASN 6 Ca -0.02 -0.32 -0.14 0.00 -0.03 0.00 0.00 54.58 54.07 1v1j n ASN 6 Cb 0.64 1.10 -0.06 0.00 -0.61 0.00 0.00 39.78 40.84 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 -3.23 -1.82 0.82 5.41 0.00 -1.01 -4.92 121.76 117.01 1v1j s ALA 7 Ca 0.02 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 1v1j s ALA 7 Cb 0.15 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.54 1v1j s ALA 7 CO 0.84 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 1v1j s PRO 8 N -0.29 1.87 -0.12 0.00 0.04 -1.26 -4.36 135.00 130.89 1v1j s PRO 8 Ca -0.03 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 61.59 1v1j s PRO 8 Cb -0.03 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1v1j s PRO 8 CO 0.03 -1.81 0.66 0.42 0.04 0.00 0.00 177.00 176.34 1v1j s ILE 9 N -3.03 5.05 -0.12 0.56 1.01 -0.03 -1.11 121.20 123.52 1v1j s ILE 9 Ca 0.62 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 62.35 1v1j s ILE 9 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1v1j s ILE 9 CO 0.55 0.20 0.70 -0.32 0.00 0.00 0.00 174.94 176.07 1v1j s MET 10 N 1.22 4.36 -0.31 2.79 -2.45 -0.94 -0.37 119.30 123.60 1v1j s MET 10 Ca 0.33 0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 55.57 1v1j s MET 10 Cb -0.17 -3.50 0.05 0.00 1.25 0.00 0.00 34.83 32.47 1v1j s MET 10 CO 0.14 -0.07 0.03 0.42 1.05 0.00 0.00 175.02 176.59 1v1j s ILE 11 N 1.27 3.10 -0.12 10.11 -1.09 0.41 -1.43 121.20 133.45 1v1j s ILE 11 Ca 0.35 -1.42 -0.06 0.00 -2.23 0.00 0.00 60.65 57.29 1v1j s ILE 11 Cb -0.17 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1v1j s ILE 11 CO 0.15 -0.17 0.10 -0.76 -1.23 0.00 0.00 174.94 173.03 1v1j s LEU 12 N 1.26 4.15 -0.07 2.97 1.43 -0.30 -1.10 118.68 127.02 1v1j s LEU 12 Ca -0.03 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1v1j s LEU 12 Cb -0.20 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1v1j s LEU 12 CO -0.01 0.36 -0.18 0.20 0.23 0.00 0.00 176.35 176.96 1v1j s ASN 13 N -0.77 2.35 0.06 2.29 0.01 0.39 -1.76 114.94 117.50 1v1j s ASN 13 Ca 0.13 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1v1j s ASN 13 Cb -0.12 -0.91 0.00 0.00 0.41 0.00 0.00 41.25 40.63 1v1j s ASN 13 CO 0.03 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 1v1j n GLY 14 N 3.46 0.46 3.73 0.66 0.00 0.20 -1.88 105.19 111.83 1v1j n GLY 14 Ca -0.20 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1v1j n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v1j s PRO 15 N 0.97 2.64 0.00 1.61 0.04 -1.05 -3.16 135.00 136.05 1v1j s PRO 15 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1v1j s PRO 15 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1v1j s PRO 15 CO 0.00 -1.53 0.00 0.09 0.04 0.00 0.00 177.00 175.60 1v1j n ASN 16 N -1.80 0.00 0.18 6.66 3.02 -1.26 -4.56 115.26 117.50 1v1j n ASN 16 Ca 0.15 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1v1j n ASN 16 Cb 0.48 -1.40 0.40 0.00 -0.61 0.00 0.00 39.78 38.64 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 -1.85 3.41 3.38 -1.91 -1.87 115.31 116.47 1v1j h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.08 -0.55 0.09 0.00 0.00 178.44 178.06 1v1j h ASN 18 N 0.00 0.00 -0.72 -0.43 -1.07 -1.88 -1.42 115.58 110.06 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 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 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 -2.52 4.00 -4.62 6.14 4.77 -0.70 -4.88 117.00 119.19 1v1j n LEU 19 Ca -0.02 -2.03 -0.46 0.00 -0.03 0.00 0.00 56.01 53.48 1v1j n LEU 19 Cb 0.12 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1v1j n LEU 19 CO 0.12 0.98 0.80 -0.11 -1.33 0.00 0.00 177.39 177.85 1v1j n LEU 20 N 1.60 2.32 0.00 2.23 7.94 -0.54 -2.02 117.00 128.53 1v1j n LEU 20 Ca 0.24 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.30 1v1j n LEU 20 Cb 0.64 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.26 1v1j n LEU 20 CO 0.17 -0.97 0.00 0.61 -1.11 0.00 0.00 177.39 176.09 1v1j n GLY 21 N 1.74 0.64 0.00 -3.96 0.00 -1.08 -4.21 105.19 98.32 1v1j n GLY 21 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.72 -0.44 -3.54 1.61 6.02 -0.86 -4.78 117.38 112.68 1v1j n GLN 22 Ca 0.00 -0.42 -0.16 0.00 -0.01 0.00 0.00 57.00 56.40 1v1j n GLN 22 Cb 0.00 -0.84 -0.06 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.06 0.97 -1.33 -1.09 3.03 -1.26 -4.98 118.95 114.23 1v1j s ARG 23 Ca 0.00 0.28 -0.13 0.00 2.03 0.00 0.00 55.73 57.91 1v1j s ARG 23 Cb 0.00 0.46 0.01 0.00 -1.03 0.00 0.00 34.95 34.38 1v1j s ARG 23 CO 0.00 -0.29 0.49 1.04 -1.13 0.00 0.00 175.30 175.41 1v1j n GLN 24 N 0.98 -1.64 -0.31 3.89 6.02 -1.26 -4.68 117.38 120.36 1v1j n GLN 24 Ca -0.17 0.28 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 1v1j n GLN 24 Cb 0.57 -3.79 0.08 0.00 1.02 0.00 0.00 30.24 28.12 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 -2.03 1.21 -0.15 -1.09 0.13 -1.94 0.21 132.00 128.34 1v1j h PRO 25 Ca -0.66 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 64.35 1v1j h PRO 25 Cb 1.38 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1v1j h PRO 25 CO 0.58 0.91 0.28 0.93 -0.23 0.00 0.00 178.00 180.47 1v1j h GLU 26 N 1.20 0.00 0.00 0.86 3.07 -1.88 2.03 114.58 119.86 1v1j h GLU 26 Ca 0.30 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.71 1v1j h GLU 26 Cb 0.08 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 1v1j h GLU 26 CO -0.04 0.00 -2.53 -0.89 -1.40 0.00 0.00 179.01 174.15 1v1j n ILE 27 N -3.38 1.52 0.60 3.13 5.41 -0.53 -4.72 119.36 121.38 1v1j n ILE 27 Ca 0.01 -0.43 0.07 0.00 1.00 0.00 0.00 62.75 63.40 1v1j n ILE 27 Cb 0.38 -1.77 -0.08 0.00 -0.71 0.00 0.00 39.64 37.46 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 -4.01 0.00 -0.65 1.39 4.02 0.63 -4.39 117.16 114.16 1v1j n TYR 28 Ca -0.52 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 1v1j n TYR 28 Cb 0.91 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 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 1.37 -2.88 0.51 2.72 0.00 0.69 -4.72 105.19 102.88 1v1j n GLY 29 Ca 0.02 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.11 2.50 -4.83 1.61 3.41 -1.26 -4.03 113.62 110.91 1v1j n SER 30 Ca 0.00 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 1v1j n SER 30 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 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 6.86 0.55 4.04 1.01 -1.26 -4.68 116.67 122.25 1v1j s ASP 31 Ca 0.18 1.63 0.06 0.00 0.71 0.00 0.00 52.55 55.13 1v1j s ASP 31 Cb 0.10 -2.52 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1v1j s ASP 31 CO 0.13 -0.39 0.76 0.42 0.21 0.00 0.00 175.17 176.31 1v1j s THR 32 N -2.25 2.44 0.29 -1.27 -4.23 -1.26 -2.62 115.64 106.73 1v1j s THR 32 Ca 0.61 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1v1j s THR 32 Cb -0.09 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.29 1v1j s THR 32 CO 0.17 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.25 1v1j h LEU 33 N 0.17 0.50 -1.01 4.79 5.85 -1.83 -0.78 115.31 123.00 1v1j h LEU 33 Ca -0.35 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 1v1j h LEU 33 Cb 1.28 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1v1j h LEU 33 CO 0.43 0.71 -0.02 0.00 -0.34 0.00 0.00 178.44 179.22 1v1j h ALA 34 N 1.33 1.18 -0.57 1.25 0.00 -1.94 -0.95 119.26 119.57 1v1j h ALA 34 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1v1j h ALA 34 Cb 0.60 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1v1j h ALA 34 CO 0.04 0.53 0.20 -0.44 0.00 0.00 0.00 179.25 179.58 1v1j h ASP 35 N 0.64 0.77 -0.27 0.00 3.32 -1.57 -2.02 116.42 117.29 1v1j h ASP 35 Ca 0.13 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1v1j h ASP 35 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1v1j h ASP 35 CO 0.02 0.71 -0.20 0.58 -1.72 0.00 0.00 179.24 178.63 1v1j h VAL 36 N 0.82 1.30 -0.67 -1.35 2.07 -0.63 -2.31 116.25 115.48 1v1j h VAL 36 Ca 0.19 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1v1j h VAL 36 Cb 0.21 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1v1j h VAL 36 CO -0.01 0.42 0.39 -0.08 0.02 0.00 0.00 177.57 178.32 1v1j h GLU 37 N 0.35 0.72 -0.65 1.57 4.81 -0.95 -0.16 114.58 120.26 1v1j h GLU 37 Ca 0.05 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1v1j h GLU 37 Cb 0.75 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1v1j h GLU 37 CO 0.05 0.48 0.27 0.00 -0.73 0.00 0.00 179.01 179.08 1v1j h ALA 38 N 1.33 1.24 -0.68 2.92 0.00 -1.21 0.19 119.26 123.05 1v1j h ALA 38 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1v1j h ALA 38 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1v1j h ALA 38 CO -0.15 0.56 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 1v1j h LEU 39 N 0.94 1.05 -0.71 0.00 3.38 -0.71 -2.17 115.31 117.09 1v1j h LEU 39 Ca 0.22 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1v1j h LEU 39 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1v1j h LEU 39 CO -0.02 1.02 -0.26 0.00 0.09 0.00 0.00 178.44 179.27 1v1j h VAL 41 N 0.61 1.23 -0.22 0.00 2.07 -0.28 -1.17 116.25 118.50 1v1j h VAL 41 Ca 0.08 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1v1j h VAL 41 Cb 0.76 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1v1j h VAL 41 CO 0.06 0.28 0.07 0.50 0.02 0.00 0.00 177.57 178.50 1v1j h LYS 42 N 0.57 0.34 -0.80 1.57 3.64 -1.35 -1.28 116.57 119.26 1v1j h LYS 42 Ca 0.14 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1v1j h LYS 42 Cb 0.31 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1v1j h LYS 42 CO 0.00 0.43 0.50 0.00 -2.27 0.00 0.00 179.45 178.11 1v1j h ALA 43 N 0.90 1.06 -0.07 5.00 0.00 -1.19 -2.40 119.26 122.55 1v1j h ALA 43 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1v1j h ALA 43 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1v1j h ALA 43 CO -0.00 0.29 -0.62 0.00 0.00 0.00 0.00 179.25 178.91 1v1j h ALA 44 N 1.35 0.80 -0.02 0.00 0.00 -0.88 -3.07 119.26 117.45 1v1j h ALA 44 Ca 0.33 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1v1j h ALA 44 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1v1j h ALA 44 CO -0.13 0.74 -0.41 0.00 0.00 0.00 0.00 179.25 179.44 1v1j h ALA 45 N 1.15 1.28 0.00 0.00 0.00 -0.86 0.94 119.26 121.77 1v1j h ALA 45 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1v1j h ALA 45 Cb 1.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1v1j h ALA 45 CO 0.10 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1v1j h ALA 46 N 1.55 1.14 -0.22 0.00 0.00 -1.34 -0.75 119.26 119.63 1v1j h ALA 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v1j h ALA 46 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1v1j h ALA 46 CO 0.06 0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.05 1v1j n HIS 47 N -3.30 0.28 -0.50 0.00 8.25 -0.15 -4.96 115.22 114.84 1v1j n HIS 47 Ca -0.02 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 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 0.94 0.71 2.30 -1.41 0.00 -0.29 -4.92 105.19 102.53 1v1j n GLY 48 Ca 0.13 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.50 3.52 3.35 -0.02 0.00 0.15 -4.53 105.19 105.15 1v1j n GLY 49 Ca 0.00 -2.29 -0.18 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.01 0.56 0.11 2.61 -4.23 -1.26 -3.63 115.64 107.79 1v1j s THR 50 Ca 0.06 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1v1j s THR 50 Cb -0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1v1j s THR 50 CO 0.04 0.00 -0.10 0.68 -0.54 0.00 0.00 174.62 174.70 1v1j s VAL 51 N -3.64 0.99 -0.26 2.29 -7.23 -1.26 -0.85 120.40 110.43 1v1j s VAL 51 Ca 0.36 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1v1j s VAL 51 Cb 0.07 -1.50 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1v1j s VAL 51 CO 0.15 -0.61 0.02 -0.62 -0.31 0.00 0.00 175.10 173.73 1v1j s ASP 52 N -2.64 3.81 -0.22 4.85 -1.08 0.50 -4.87 116.67 117.01 1v1j s ASP 52 Ca 0.08 -1.35 -0.06 0.00 -0.52 0.00 0.00 52.55 50.71 1v1j s ASP 52 Cb -0.01 -1.01 -0.02 0.00 -1.46 0.00 0.00 42.92 40.41 1v1j s ASP 52 CO -0.00 -0.32 0.02 0.12 0.52 0.00 0.00 175.17 175.51 1v1j s PHE 53 N 1.51 3.05 0.05 -5.34 5.36 -1.26 -0.45 117.98 120.90 1v1j s PHE 53 Ca 0.02 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.49 1v1j s PHE 53 Cb -0.18 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1v1j s PHE 53 CO -0.13 -0.33 -0.07 1.03 -1.46 0.00 0.00 175.22 174.27 1v1j s ARG 54 N 1.30 0.57 -0.00 10.12 0.52 -0.26 -4.96 118.95 126.24 1v1j s ARG 54 Ca 0.04 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 1v1j s ARG 54 Cb -0.15 -0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.11 1v1j s ARG 54 CO 0.02 0.02 -0.08 -1.14 0.02 0.00 0.00 175.30 174.14 1v1j s GLN 55 N -2.12 0.61 0.03 3.54 -0.44 -1.26 -0.46 119.66 119.56 1v1j s GLN 55 Ca -0.05 -0.28 -0.15 0.00 -2.50 0.00 0.00 55.36 52.37 1v1j s GLN 55 Cb -0.06 -0.59 0.02 0.00 -1.64 0.00 0.00 33.01 30.74 1v1j s GLN 55 CO -0.01 0.16 0.33 0.45 0.50 0.00 0.00 175.29 176.72 1v1j s SER 56 N -0.21 -0.17 0.00 6.67 0.15 -0.79 -4.96 113.70 114.39 1v1j s SER 56 Ca 0.03 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 56.82 1v1j s SER 56 Cb -0.03 0.37 0.28 0.00 -1.71 0.00 0.00 66.02 64.93 1v1j s SER 56 CO -0.00 -0.60 1.31 0.59 1.20 0.00 0.00 173.24 175.74 1v1j n ASN 57 N 0.68 2.67 -4.42 5.45 3.02 -1.26 -2.52 115.26 118.88 1v1j n ASN 57 Ca -0.19 -1.87 -0.35 0.00 -0.03 0.00 0.00 54.58 52.14 1v1j n ASN 57 Cb 0.59 0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.69 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 -2.06 3.04 0.14 3.10 3.76 -1.26 -4.75 115.29 117.26 1v1j s HIS 58 Ca 0.28 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.45 1v1j s HIS 58 Cb 0.20 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.76 1v1j s HIS 58 CO 0.34 -0.34 1.68 1.49 -0.85 0.00 0.00 174.74 177.06 1v1j h GLU 59 N 7.85 -0.07 -0.06 1.40 4.81 -2.00 -2.22 114.58 124.30 1v1j h GLU 59 Ca -0.38 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1v1j h GLU 59 Cb 1.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1v1j h GLU 59 CO 0.60 -0.05 -0.29 0.78 -0.73 0.00 0.00 179.01 179.32 1v1j h GLY 60 N -0.07 0.11 1.80 1.92 0.00 -1.99 -1.14 103.07 103.69 1v1j h GLY 60 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1v1j h GLY 60 CO -0.29 0.07 -0.66 -2.09 0.00 0.00 0.00 176.54 173.58 1v1j h GLU 61 N 0.09 0.20 -0.64 4.80 4.81 -1.91 -1.23 114.58 120.71 1v1j h GLU 61 Ca 0.01 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1v1j h GLU 61 Cb 0.56 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1v1j h GLU 61 CO 0.04 0.79 0.13 -0.07 -0.73 0.00 0.00 179.01 179.17 1v1j h LEU 62 N 0.14 1.00 -0.45 1.64 3.38 -0.70 -1.45 115.31 118.87 1v1j h LEU 62 Ca -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1v1j h LEU 62 Cb 1.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1v1j h LEU 62 CO 0.10 0.99 0.26 0.58 0.09 0.00 0.00 178.44 180.45 1v1j h VAL 63 N 0.96 1.15 -0.74 1.22 2.07 -0.84 -0.96 116.25 119.12 1v1j h VAL 63 Ca 0.20 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1v1j h VAL 63 Cb 0.40 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1v1j h VAL 63 CO 0.01 0.16 0.45 0.44 0.02 0.00 0.00 177.57 178.64 1v1j h ASP 64 N 0.59 0.70 0.33 0.57 3.32 -1.02 -1.45 116.42 119.46 1v1j h ASP 64 Ca 0.16 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 1v1j h ASP 64 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1v1j h ASP 64 CO -0.03 0.46 -0.39 -0.50 -1.72 0.00 0.00 179.24 177.07 1v1j h TRP 65 N 0.84 0.10 -0.40 4.55 6.55 -0.64 -1.82 115.95 125.13 1v1j h TRP 65 Ca 0.32 -0.02 -0.13 0.00 0.95 0.00 0.00 58.89 60.00 1v1j h TRP 65 Cb 0.12 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 1v1j h TRP 65 CO -0.05 0.47 -0.27 0.82 -1.05 0.00 0.00 178.44 178.36 1v1j h ILE 66 N 0.08 1.27 -0.89 1.49 2.04 -0.19 -1.26 117.51 120.05 1v1j h ILE 66 Ca 0.01 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1v1j h ILE 66 Cb 0.73 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1v1j h ILE 66 CO 0.05 0.48 0.57 0.45 0.00 0.00 0.00 178.15 179.70 1v1j h HIS 67 N 0.72 1.14 -0.50 1.37 3.86 -0.57 -1.70 115.15 119.47 1v1j h HIS 67 Ca 0.09 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1v1j h HIS 67 Cb 0.82 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1v1j h HIS 67 CO 0.05 0.74 -0.04 1.49 0.86 0.00 0.00 177.93 181.02 1v1j h GLU 68 N 1.22 0.88 0.00 2.45 4.81 -0.89 -2.27 114.58 120.77 1v1j h GLU 68 Ca 0.32 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1v1j h GLU 68 Cb -0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1v1j h GLU 68 CO -0.07 0.90 -0.25 0.00 -0.73 0.00 0.00 179.01 178.86 1v1j h ALA 69 N 1.15 1.58 -0.02 2.92 0.00 -0.33 -1.62 119.26 122.94 1v1j h ALA 69 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1v1j h ALA 69 Cb 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1v1j h ALA 69 CO 0.03 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 1v1j h ARG 70 N 0.00 0.02 0.00 0.00 3.08 -0.95 -2.11 114.38 114.43 1v1j h ARG 70 Ca -0.00 -0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1v1j h ARG 70 Cb 0.45 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1v1j h ARG 70 CO 0.03 0.05 -2.17 1.28 -1.07 0.00 0.00 179.97 178.09 1v1j n LEU 71 N -4.49 0.57 0.00 3.04 4.77 -0.68 -4.71 117.00 115.49 1v1j n LEU 71 Ca -0.03 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1v1j n LEU 71 Cb 0.12 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1v1j n LEU 71 CO 0.35 0.51 0.25 0.59 -1.33 0.00 0.00 177.39 177.75 1v1j n ASN 72 N -2.90 0.99 -4.37 -1.43 3.02 -0.79 -5.07 115.26 104.72 1v1j n ASN 72 Ca -0.29 -1.01 -0.18 0.00 -0.03 0.00 0.00 54.58 53.07 1v1j n ASN 72 Cb 1.11 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.18 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 -0.01 1.69 -1.60 3.10 3.76 -0.81 -4.37 115.29 117.05 1v1j s HIS 73 Ca 0.00 -0.92 0.22 0.00 -0.15 0.00 0.00 55.06 54.21 1v1j s HIS 73 Cb 0.00 -1.01 -0.10 0.00 1.11 0.00 0.00 32.58 32.58 1v1j s HIS 73 CO 0.00 -0.01 1.00 0.00 -0.85 0.00 0.00 174.74 174.88 1v1j n GLY 75 N 1.45 -0.15 2.86 0.00 0.00 -1.26 -4.43 105.19 103.64 1v1j n GLY 75 Ca 0.07 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 0.42 -0.21 -0.61 1.01 -0.09 -2.20 121.20 117.51 1v1j s ILE 76 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 1v1j s ILE 76 Cb 0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1v1j s ILE 76 CO 0.00 0.21 0.05 -0.69 0.00 0.00 0.00 174.94 174.50 1v1j s VAL 77 N 1.09 4.34 -0.03 2.92 1.01 -0.51 -0.94 120.40 128.27 1v1j s VAL 77 Ca -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1v1j s VAL 77 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1v1j s VAL 77 CO -0.01 0.40 -0.06 -0.51 0.00 0.00 0.00 175.10 174.92 1v1j s ILE 78 N 1.03 0.62 -0.63 2.22 2.07 0.30 -1.15 121.20 125.66 1v1j s ILE 78 Ca 0.03 -0.23 -0.02 0.00 -1.41 0.00 0.00 60.65 59.02 1v1j s ILE 78 Cb -0.14 -0.59 0.16 0.00 0.13 0.00 0.00 42.46 42.02 1v1j s ILE 78 CO 0.03 0.22 0.44 0.21 -1.91 0.00 0.00 174.94 173.93 1v1j s ASN 79 N 0.51 5.18 0.00 4.50 3.84 -0.72 -0.45 114.94 127.80 1v1j s ASN 79 Ca -0.07 -2.91 0.23 0.00 0.21 0.00 0.00 52.86 50.32 1v1j s ASN 79 Cb -0.11 -1.84 1.32 0.00 -0.55 0.00 0.00 41.25 40.07 1v1j s ASN 79 CO 0.00 -0.35 1.75 -2.65 -2.79 0.00 0.00 177.10 173.06 1v1j n PRO 80 N 3.40 0.62 0.00 0.43 -0.02 -1.26 -0.63 135.00 137.55 1v1j n PRO 80 Ca 0.08 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1v1j n PRO 80 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.07 0.00 -0.02 3.55 0.00 -1.26 -2.01 120.51 119.70 1v1j n ALA 81 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1v1j n ALA 81 Cb 0.10 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.30 1.61 0.00 0.00 0.00 -1.93 -0.77 119.26 117.88 1v1j h ALA 82 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1v1j h ALA 82 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1v1j h ALA 82 CO 0.00 0.33 -0.01 1.88 0.00 0.00 0.00 179.25 181.45 1v1j h TYR 83 N 0.59 0.00 -0.88 0.00 0.99 -1.80 -2.04 116.97 113.82 1v1j h TYR 83 Ca 0.15 0.00 0.23 0.00 2.00 0.00 0.00 58.73 61.11 1v1j h TYR 83 Cb 0.01 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 37.61 1v1j h TYR 83 CO 0.00 0.01 0.31 0.77 -0.00 0.00 0.00 178.16 179.25 1v1j h SER 84 N 0.00 0.15 0.82 3.88 0.02 -1.14 0.43 113.55 117.71 1v1j h SER 84 Ca -0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1v1j h SER 84 Cb 0.11 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1v1j h SER 84 CO 0.00 -0.09 -0.49 1.41 -1.14 0.00 0.00 176.83 176.52 1v1j n HIS 85 N -5.14 0.38 0.00 3.45 8.25 -0.77 -1.57 115.22 119.82 1v1j n HIS 85 Ca 0.22 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1v1j n HIS 85 Cb 0.68 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.90 0.00 -3.21 1.59 -2.24 -0.96 -4.85 114.28 102.71 1v1j n THR 86 Ca 0.04 -0.12 -0.46 0.00 -2.27 0.00 0.00 64.05 61.24 1v1j n THR 86 Cb 0.40 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.80 6.34 0.54 3.42 0.15 0.10 -4.81 113.70 118.64 1v1j s SER 87 Ca 0.00 -1.86 0.30 0.00 0.70 0.00 0.00 55.95 55.09 1v1j s SER 87 Cb 0.00 -2.26 1.56 0.00 -1.71 0.00 0.00 66.02 63.61 1v1j s SER 87 CO 0.00 -0.91 2.10 0.58 1.20 0.00 0.00 173.24 176.21 1v1j h VAL 88 N 5.67 0.42 -0.24 4.45 2.07 -1.95 -3.10 116.25 123.57 1v1j h VAL 88 Ca -0.18 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1v1j h VAL 88 Cb 1.08 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1v1j h VAL 88 CO 1.01 0.09 -0.36 0.00 0.02 0.00 0.00 177.57 178.32 1v1j h ALA 89 N 1.91 0.93 -0.15 1.67 0.00 -1.97 0.44 119.26 122.09 1v1j h ALA 89 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1v1j h ALA 89 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1v1j h ALA 89 CO 0.01 0.62 -0.70 0.82 0.00 0.00 0.00 179.25 180.00 1v1j h ILE 90 N 0.45 1.31 0.12 0.00 2.04 -1.91 -2.16 117.51 117.36 1v1j h ILE 90 Ca 0.05 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1v1j h ILE 90 Cb 0.84 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1v1j h ILE 90 CO 0.07 0.61 -0.10 0.25 0.00 0.00 0.00 178.15 178.98 1v1j h LEU 91 N 0.46 -0.26 -1.60 1.44 5.85 -1.33 -0.95 115.31 118.93 1v1j h LEU 91 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1v1j h LEU 91 Cb 1.30 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1v1j h LEU 91 CO 0.14 -0.16 0.12 0.44 -0.34 0.00 0.00 178.44 178.64 1v1j h ASP 92 N -0.23 0.34 -0.42 1.25 3.32 -0.94 -0.67 116.42 119.06 1v1j h ASP 92 Ca -0.00 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1v1j h ASP 92 Cb 0.21 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1v1j h ASP 92 CO -0.02 0.31 0.01 0.00 -1.72 0.00 0.00 179.24 177.82 1v1j h ALA 93 N 1.75 0.57 -0.25 3.45 0.00 -0.69 -2.28 119.26 121.81 1v1j h ALA 93 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1v1j h ALA 93 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1v1j h ALA 93 CO -0.01 0.34 0.06 -0.07 0.00 0.00 0.00 179.25 179.57 1v1j h LEU 94 N 0.58 0.32 -1.36 0.00 3.38 -0.55 -1.71 115.31 115.96 1v1j h LEU 94 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1v1j h LEU 94 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1v1j h LEU 94 CO 0.02 0.33 0.00 0.78 0.09 0.00 0.00 178.44 179.66 1v1j h ASN 95 N 0.35 0.00 1.04 -0.43 -0.26 -0.56 -1.16 115.58 114.56 1v1j h ASN 95 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1v1j h ASN 95 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1v1j h ASN 95 CO -0.00 0.00 -0.29 0.35 -1.06 0.00 0.00 177.43 176.43 1v1j n THR 96 N -2.67 0.32 -1.72 2.81 -2.24 -0.64 -4.36 114.28 105.78 1v1j n THR 96 Ca 0.00 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1v1j n THR 96 Cb 0.22 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1v1j n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v1j s ASP 98 N 1.81 6.48 0.00 0.00 1.01 -1.26 -1.65 116.67 123.05 1v1j s ASP 98 Ca 0.56 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.46 1v1j s ASP 98 Cb 0.16 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1v1j s ASP 98 CO -0.07 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 174.92 1v1j n GLY 99 N 4.33 1.98 3.71 0.21 0.00 -1.26 -4.97 105.19 109.18 1v1j n GLY 99 Ca 0.18 0.00 -0.42 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 4.36 0.17 0.99 2.96 -0.66 -4.98 118.68 121.51 1v1j s LEU 100 Ca 0.00 1.56 -0.30 0.00 -0.22 0.00 0.00 54.13 55.17 1v1j s LEU 100 Cb 0.00 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 1v1j s LEU 100 CO 0.00 -0.23 1.31 -2.84 -1.32 0.00 0.00 176.35 173.26 1v1j s PRO 101 N 0.98 4.39 -0.08 0.98 0.02 -1.26 -4.94 135.00 135.09 1v1j s PRO 101 Ca 0.49 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.55 1v1j s PRO 101 Cb -0.20 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.11 1v1j s PRO 101 CO 0.26 -0.27 -0.14 0.08 -0.33 0.00 0.00 177.00 176.60 1v1j s VAL 102 N 0.36 1.29 -0.09 3.83 1.01 -1.26 -0.91 120.40 124.62 1v1j s VAL 102 Ca 0.58 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1v1j s VAL 102 Cb -0.36 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1v1j s VAL 102 CO 0.36 0.39 -0.23 -0.69 0.00 0.00 0.00 175.10 174.93 1v1j s VAL 103 N 0.76 2.20 -0.10 2.92 1.01 -0.12 -0.43 120.40 126.64 1v1j s VAL 103 Ca -0.12 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 1v1j s VAL 103 Cb -0.16 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1v1j s VAL 103 CO 0.03 0.56 0.38 -0.70 0.00 0.00 0.00 175.10 175.37 1v1j s GLU 104 N 0.22 4.17 -0.02 2.72 2.12 -0.09 -0.54 118.70 127.28 1v1j s GLU 104 Ca -0.14 0.29 0.06 0.00 0.36 0.00 0.00 54.97 55.54 1v1j s GLU 104 Cb -0.17 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1v1j s GLU 104 CO 0.07 0.35 -0.19 0.08 -0.54 0.00 0.00 175.26 175.03 1v1j s VAL 105 N 0.07 1.55 -0.06 3.70 1.01 0.40 -1.06 120.40 126.00 1v1j s VAL 105 Ca 0.22 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1v1j s VAL 105 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1v1j s VAL 105 CO 0.09 0.44 -0.13 -1.00 0.00 0.00 0.00 175.10 174.50 1v1j s HIS 106 N -0.40 1.47 -0.00 5.22 3.76 0.35 -3.98 115.29 121.71 1v1j s HIS 106 Ca 0.06 -0.52 -0.25 0.00 -0.15 0.00 0.00 55.06 54.20 1v1j s HIS 106 Cb -0.08 -1.06 -0.19 0.00 1.11 0.00 0.00 32.58 32.35 1v1j s HIS 106 CO -0.00 -0.25 1.34 0.82 -0.85 0.00 0.00 174.74 175.80 1v1j h ILE 107 N 5.83 1.32 -4.03 0.60 2.04 -1.86 -1.39 117.51 120.02 1v1j h ILE 107 Ca -0.31 -0.96 -0.49 0.00 1.00 0.00 0.00 64.86 64.10 1v1j h ILE 107 Cb 1.19 1.98 0.06 0.00 -0.74 0.00 0.00 36.82 39.31 1v1j h ILE 107 CO 0.48 0.25 0.29 -0.94 0.00 0.00 0.00 178.15 178.22 1v1j s SER 108 N -5.61 5.71 -0.73 1.72 1.04 -1.26 -2.12 113.70 112.45 1v1j s SER 108 Ca -0.15 0.98 -0.21 0.00 0.48 0.00 0.00 55.95 57.05 1v1j s SER 108 Cb 0.02 -1.96 0.09 0.00 0.10 0.00 0.00 66.02 64.28 1v1j s SER 108 CO 0.67 -1.08 0.97 0.21 0.98 0.00 0.00 173.24 175.00 1v1j s ASN 109 N -4.28 6.30 0.65 7.02 3.84 -1.26 -2.20 114.94 125.01 1v1j s ASN 109 Ca 0.55 -1.36 0.40 0.00 0.21 0.00 0.00 52.86 52.66 1v1j s ASN 109 Cb -0.11 -2.40 2.24 0.00 -0.55 0.00 0.00 41.25 40.44 1v1j s ASN 109 CO 0.49 -1.29 2.32 0.16 -2.79 0.00 0.00 177.10 175.99 1v1j h ILE 110 N 5.93 0.13 0.00 -5.21 3.07 -1.92 -2.25 117.51 117.26 1v1j h ILE 110 Ca -0.16 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.25 1v1j h ILE 110 Cb 1.06 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1v1j h ILE 110 CO 1.15 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.66 1v1j n HIS 111 N -3.27 0.31 -0.40 0.16 8.25 -1.26 -2.04 115.22 116.98 1v1j n HIS 111 Ca -0.03 0.10 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1v1j n HIS 111 Cb 0.10 -0.66 0.31 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.76 2.91 0.00 -0.41 6.02 -0.85 -4.96 117.38 118.32 1v1j n GLN 112 Ca 0.05 -2.64 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 1v1j n GLN 112 Cb 0.32 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 1.42 3.69 -1.65 -1.09 1.74 -0.86 -5.07 116.66 114.84 1v1j n ARG 113 Ca 0.23 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.91 1v1j n ARG 113 Cb 0.65 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.11 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 1.40 -0.19 5.56 4.71 -1.26 -4.86 120.64 125.99 1v1j n GLU 114 Ca 0.00 0.51 0.21 0.00 -0.01 0.00 0.00 57.16 57.87 1v1j n GLU 114 Cb 0.00 -2.22 0.58 0.00 -1.01 0.00 0.00 31.44 28.79 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 1.36 0.27 0.00 3.49 0.11 -1.96 -0.09 132.00 135.17 1v1j h PRO 115 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1v1j h PRO 115 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1v1j h PRO 115 CO 0.56 0.18 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 1v1j h PHE 116 N 0.27 0.00 -0.00 0.65 -5.15 -1.97 -1.86 116.94 108.89 1v1j h PHE 116 Ca 0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.19 1v1j h PHE 116 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1v1j h PHE 116 CO -0.00 0.00 -0.29 0.54 -2.00 0.00 0.00 178.31 176.56 1v1j n ARG 117 N -2.38 0.22 0.24 6.09 1.74 -0.05 -3.98 116.66 118.54 1v1j n ARG 117 Ca 0.02 -0.10 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1v1j n ARG 117 Cb 0.27 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.80 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 0.24 0.00 -3.42 -1.55 3.86 -1.36 -3.44 115.15 109.48 1v1j h HIS 118 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1v1j h HIS 118 Cb 0.47 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.77 1v1j h HIS 118 CO 0.00 0.17 -0.65 -1.58 0.86 0.00 0.00 177.93 176.73 1v1j s HIS 119 N -3.85 3.08 -0.07 2.45 5.65 -1.26 -4.95 115.29 116.33 1v1j s HIS 119 Ca -0.01 0.06 0.01 0.00 0.25 0.00 0.00 55.06 55.37 1v1j s HIS 119 Cb 0.11 -1.80 0.02 0.00 -1.18 0.00 0.00 32.58 29.73 1v1j s HIS 119 CO 0.61 0.34 -0.09 0.45 -0.65 0.00 0.00 174.74 175.39 1v1j s SER 120 N -0.62 1.70 0.36 9.88 0.15 -1.26 -4.24 113.70 119.67 1v1j s SER 120 Ca 0.10 -0.26 0.14 0.00 0.70 0.00 0.00 55.95 56.63 1v1j s SER 120 Cb -0.12 -0.75 0.69 0.00 -1.71 0.00 0.00 66.02 64.13 1v1j s SER 120 CO 0.02 -0.02 1.78 1.88 1.20 0.00 0.00 173.24 178.10 1v1j h TYR 121 N 7.31 0.00 -0.08 3.44 -1.99 -1.62 -2.95 116.97 121.08 1v1j h TYR 121 Ca -0.32 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.30 1v1j h TYR 121 Cb 1.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 1v1j h TYR 121 CO 0.49 0.41 -0.45 0.28 -0.00 0.00 0.00 178.16 178.88 1v1j h VAL 122 N 0.00 1.33 -0.06 -2.88 2.07 -1.88 -3.10 116.25 111.73 1v1j h VAL 122 Ca -0.00 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1v1j h VAL 122 Cb 0.76 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1v1j h VAL 122 CO 0.05 0.48 0.07 0.28 0.02 0.00 0.00 177.57 178.47 1v1j h SER 123 N 0.16 0.00 0.46 0.57 0.02 -1.89 0.67 113.55 113.54 1v1j h SER 123 Ca 0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1v1j h SER 123 Cb 0.87 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1v1j h SER 123 CO 0.07 0.00 -0.30 1.56 -1.14 0.00 0.00 176.83 177.02 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.70 -3.29 115.11 117.77 1v1j h GLN 124 Ca 0.03 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.46 1v1j h GLN 124 Cb 0.16 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1v1j h GLN 124 CO -0.00 0.30 -2.09 -2.13 -0.67 0.00 0.00 178.83 174.24 1v1j n ARG 125 N -3.88 1.35 -1.78 1.46 3.00 -0.14 -5.01 116.66 111.66 1v1j n ARG 125 Ca -0.02 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.41 1v1j n ARG 125 Cb 0.38 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.43 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 -2.57 2.39 -0.13 5.13 0.00 0.04 -4.90 120.51 120.47 1v1j n ALA 126 Ca -0.25 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1v1j n ALA 126 Cb 1.00 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 2.91 0.79 -4.67 0.00 3.32 -1.10 -3.46 116.42 114.22 1v1j h ASP 127 Ca -0.51 -0.37 -0.28 0.00 0.02 0.00 0.00 57.03 55.88 1v1j h ASP 127 Cb 1.24 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.38 1v1j h ASP 127 CO 0.64 0.99 -0.73 -0.83 -1.72 0.00 0.00 179.24 177.58 1v1j s GLY 128 N -3.51 0.62 -0.06 2.75 0.00 -1.20 -5.06 107.32 100.86 1v1j s GLY 128 Ca -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1v1j s GLY 128 CO 0.82 -0.99 -0.06 0.14 0.00 0.00 0.00 173.10 173.02 1v1j s VAL 129 N -1.84 0.66 -0.11 1.40 1.01 -1.26 -0.91 120.40 119.35 1v1j s VAL 129 Ca -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1v1j s VAL 129 Cb -0.07 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1v1j s VAL 129 CO -0.00 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 174.51 1v1j s VAL 130 N 1.03 1.53 -0.01 2.92 1.01 -0.22 -4.99 120.40 121.68 1v1j s VAL 130 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1v1j s VAL 130 Cb -0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1v1j s VAL 130 CO -0.00 0.45 -0.05 0.00 0.00 0.00 0.00 175.10 175.50 1v1j s ALA 131 N 0.92 0.40 -0.40 5.51 0.00 -1.26 -0.50 121.76 126.43 1v1j s ALA 131 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1v1j s ALA 131 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1v1j s ALA 131 CO -0.01 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1v1j n GLY 132 N 3.04 0.67 2.06 0.00 0.00 -0.52 -4.78 105.19 105.65 1v1j n GLY 132 Ca -0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.51 0.76 0.22 0.00 0.00 -0.90 -2.50 105.19 102.27 1v1j n GLY 134 Ca 0.47 -0.84 0.15 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 0.00 1.61 -1.51 -1.88 -1.69 116.25 112.78 1v1j h VAL 135 Ca 0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1v1j h VAL 135 Cb 0.00 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1v1j h VAL 135 CO 0.00 0.00 -0.05 -0.61 -1.23 0.00 0.00 177.57 175.68 1v1j h GLN 136 N 0.00 0.00 -0.86 5.19 4.15 -1.92 -1.21 115.11 120.46 1v1j h GLN 136 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1v1j h GLN 136 Cb 0.31 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 1v1j h GLN 136 CO 0.00 0.05 0.55 0.78 -1.93 0.00 0.00 178.83 178.28 1v1j h GLY 137 N 0.34 1.15 1.31 2.39 0.00 -0.99 -0.02 103.07 107.26 1v1j h GLY 137 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1v1j h GLY 137 CO 0.01 0.13 0.40 -0.97 0.00 0.00 0.00 176.54 176.11 1v1j h TYR 138 N 0.73 0.69 -0.29 5.60 -1.99 -1.42 0.54 116.97 120.83 1v1j h TYR 138 Ca 0.41 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 61.09 1v1j h TYR 138 Cb 0.59 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 1v1j h TYR 138 CO -0.00 0.41 -0.09 0.28 -0.00 0.00 0.00 178.16 178.76 1v1j h VAL 139 N 0.72 1.29 -0.57 -2.88 2.07 -1.13 -1.21 116.25 114.54 1v1j h VAL 139 Ca 0.24 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1v1j h VAL 139 Cb 0.06 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1v1j h VAL 139 CO -0.06 0.36 0.29 -0.26 0.02 0.00 0.00 177.57 177.92 1v1j h PHE 140 N 0.33 0.53 -0.72 1.57 0.05 -0.96 -0.46 116.94 117.27 1v1j h PHE 140 Ca 0.07 0.02 0.08 0.00 3.82 0.00 0.00 57.97 61.97 1v1j h PHE 140 Cb 0.58 -0.15 -0.07 0.00 2.00 0.00 0.00 35.95 38.31 1v1j h PHE 140 CO 0.05 0.25 0.38 0.78 -0.18 0.00 0.00 178.31 179.59 1v1j h GLY 141 N 0.55 1.08 1.15 -1.45 0.00 -0.48 0.27 103.07 104.19 1v1j h GLY 141 Ca 0.25 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1v1j h GLY 141 CO -0.18 0.10 -0.16 -2.08 0.00 0.00 0.00 176.54 174.22 1v1j h VAL 142 N 0.67 1.27 -0.47 4.60 2.07 -0.36 -2.10 116.25 121.91 1v1j h VAL 142 Ca 0.35 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1v1j h VAL 142 Cb 0.31 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1v1j h VAL 142 CO -0.24 0.46 -0.03 -0.08 0.02 0.00 0.00 177.57 177.70 1v1j h GLU 143 N 0.87 0.81 -0.29 1.57 4.57 -0.47 -0.54 114.58 121.10 1v1j h GLU 143 Ca 0.13 -0.23 -0.15 0.00 -1.18 0.00 0.00 59.36 57.92 1v1j h GLU 143 Cb 0.72 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1v1j h GLU 143 CO 0.06 0.83 -0.41 -0.09 -1.18 0.00 0.00 179.01 178.22 1v1j h ARG 144 N 0.75 0.70 -0.76 1.92 9.65 -0.77 -2.58 114.38 123.29 1v1j h ARG 144 Ca 0.14 -0.37 -0.04 0.00 -1.10 0.00 0.00 59.98 58.61 1v1j h ARG 144 Cb 0.50 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1v1j h ARG 144 CO 0.03 0.98 0.31 0.82 2.80 0.00 0.00 179.97 184.90 1v1j h ILE 145 N 0.57 1.26 -0.59 1.20 1.08 -1.07 -1.18 117.51 118.77 1v1j h ILE 145 Ca 0.04 -0.80 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1v1j h ILE 145 Cb 0.95 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1v1j h ILE 145 CO 0.09 0.33 0.39 0.00 -0.69 0.00 0.00 178.15 178.27 1v1j h ALA 146 N 1.16 1.63 0.00 1.87 0.00 -0.93 0.28 119.26 123.26 1v1j h ALA 146 Ca 0.25 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 1v1j h ALA 146 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1v1j h ALA 146 CO -0.02 0.33 -1.03 0.00 0.00 0.00 0.00 179.25 178.52 1v1j h ALA 147 N 1.64 0.37 0.12 0.00 0.00 -1.02 -2.45 119.26 117.92 1v1j h ALA 147 Ca 0.23 -0.93 -0.30 0.00 0.00 0.00 0.00 54.91 53.90 1v1j h ALA 147 Cb -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1v1j h ALA 147 CO -0.05 1.26 -1.49 -0.07 0.00 0.00 0.00 179.25 178.90 1v1j h LEU 148 N 0.00 0.40 -0.45 0.00 3.38 -0.70 -3.32 115.31 114.63 1v1j h LEU 148 Ca -0.02 -0.53 -0.17 0.00 0.09 0.00 0.00 57.88 57.24 1v1j h LEU 148 Cb 1.78 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1v1j h LEU 148 CO 0.13 1.44 -0.60 0.00 0.09 0.00 0.00 178.44 179.49 1v1j h ALA 149 N 0.50 0.63 0.00 1.53 0.00 -0.55 -3.50 119.26 117.87 1v1j h ALA 149 Ca -0.23 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1v1j h ALA 149 Cb 2.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1v1j h ALA 149 CO 0.17 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.53