#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 3.48 0.39 0.54 0.52 -1.26 -5.12 118.95 117.50 1v1j s ARG 2 Ca 0.00 -0.46 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1v1j s ARG 2 Cb 0.00 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1v1j s ARG 2 CO 0.00 0.49 0.44 -1.54 0.02 0.00 0.00 175.30 174.71 1v1j s SER 3 N -3.06 5.42 0.65 0.23 1.04 -1.26 -4.74 113.70 111.98 1v1j s SER 3 Ca 0.36 -0.52 0.32 0.00 0.48 0.00 0.00 55.95 56.59 1v1j s SER 3 Cb -0.11 -0.75 1.75 0.00 0.10 0.00 0.00 66.02 67.00 1v1j s SER 3 CO 0.28 -0.61 2.01 -0.07 0.98 0.00 0.00 173.24 175.84 1v1j h LEU 4 N 0.92 0.00 0.00 2.42 4.07 -1.87 -1.40 115.31 119.45 1v1j h LEU 4 Ca -0.42 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.45 1v1j h LEU 4 Cb 1.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1v1j h LEU 4 CO 0.53 0.00 -0.94 0.00 -1.08 0.00 0.00 178.44 176.95 1v1j h ALA 5 N 1.51 0.65 0.00 1.53 0.00 -1.92 -3.36 119.26 117.67 1v1j h ALA 5 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1v1j h ALA 5 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1v1j h ALA 5 CO -0.00 0.48 -1.30 0.09 0.00 0.00 0.00 179.25 178.52 1v1j n ASN 6 N -2.92 0.53 -3.59 0.00 3.02 -0.55 -4.99 115.26 106.75 1v1j n ASN 6 Ca -0.03 -0.27 -0.13 0.00 -0.03 0.00 0.00 54.58 54.11 1v1j n ASN 6 Cb 0.70 1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 40.97 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 -3.26 -1.85 0.86 5.41 0.00 -1.06 -4.92 121.76 116.93 1v1j s ALA 7 Ca 0.01 1.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1v1j s ALA 7 Cb 0.14 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.55 1v1j s ALA 7 CO 0.85 -0.32 1.11 -1.25 0.00 0.00 0.00 175.76 176.14 1v1j s PRO 8 N -0.37 1.58 -0.15 0.00 0.04 -1.26 -4.35 135.00 130.50 1v1j s PRO 8 Ca -0.03 0.57 -0.20 0.00 0.04 0.00 0.00 61.00 61.39 1v1j s PRO 8 Cb -0.03 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1v1j s PRO 8 CO 0.02 -1.96 0.55 0.42 0.04 0.00 0.00 177.00 176.08 1v1j s ILE 9 N -3.13 5.12 -0.16 0.56 1.01 -0.22 -0.80 121.20 123.57 1v1j s ILE 9 Ca 0.62 1.07 -0.23 0.00 0.00 0.00 0.00 60.65 62.12 1v1j s ILE 9 Cb -0.15 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1v1j s ILE 9 CO 0.55 0.24 0.70 -0.32 0.00 0.00 0.00 174.94 176.11 1v1j s MET 10 N 1.14 4.29 -0.31 2.79 -2.45 -0.92 -0.64 119.30 123.20 1v1j s MET 10 Ca 0.28 0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 55.46 1v1j s MET 10 Cb -0.16 -3.55 0.04 0.00 1.25 0.00 0.00 34.83 32.41 1v1j s MET 10 CO 0.11 -0.20 0.05 0.42 1.05 0.00 0.00 175.02 176.45 1v1j s ILE 11 N 1.74 3.46 -0.11 10.11 -1.09 0.13 -1.31 121.20 134.13 1v1j s ILE 11 Ca 0.33 -1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1v1j s ILE 11 Cb -0.16 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1v1j s ILE 11 CO 0.12 -0.07 0.04 -0.76 -1.23 0.00 0.00 174.94 173.05 1v1j s LEU 12 N 1.36 3.79 -0.09 2.97 1.43 -0.06 -0.77 118.68 127.31 1v1j s LEU 12 Ca -0.02 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1v1j s LEU 12 Cb -0.19 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1v1j s LEU 12 CO 0.01 0.35 -0.13 0.20 0.23 0.00 0.00 176.35 177.00 1v1j s ASN 13 N -0.69 2.13 0.20 2.29 0.01 -0.20 -0.94 114.94 117.74 1v1j s ASN 13 Ca 0.11 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1v1j s ASN 13 Cb -0.12 -0.95 0.00 0.00 0.41 0.00 0.00 41.25 40.59 1v1j s ASN 13 CO 0.02 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 1v1j n GLY 14 N 4.07 0.08 3.73 0.66 0.00 0.11 -1.35 105.19 112.50 1v1j n GLY 14 Ca -0.20 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.08 2.62 0.00 1.61 0.04 -1.12 -3.26 135.00 134.81 1v1j s PRO 15 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1v1j s PRO 15 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1v1j s PRO 15 CO 0.00 -1.54 0.00 0.09 0.04 0.00 0.00 177.00 175.59 1v1j n ASN 16 N -1.85 0.00 0.23 6.66 3.02 -1.26 -4.58 115.26 117.48 1v1j n ASN 16 Ca 0.15 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.85 1v1j n ASN 16 Cb 0.48 -1.25 0.42 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.43 3.41 3.38 -1.92 -2.02 115.31 115.72 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 0.16 -0.55 0.09 0.00 0.00 178.44 178.14 1v1j h ASN 18 N 0.00 0.00 -0.28 -0.43 -1.07 -1.88 -1.16 115.58 110.76 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 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 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 -3.35 2.16 -4.60 6.14 4.77 -0.76 -4.81 117.00 116.56 1v1j n LEU 19 Ca -0.01 -0.96 -0.48 0.00 -0.03 0.00 0.00 56.01 54.52 1v1j n LEU 19 Cb 0.24 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1v1j n LEU 19 CO 0.22 0.48 0.82 -0.11 -1.33 0.00 0.00 177.39 177.46 1v1j n LEU 20 N 0.65 1.89 0.00 2.23 7.94 -0.44 -1.83 117.00 127.44 1v1j n LEU 20 Ca 0.16 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 1v1j n LEU 20 Cb 0.39 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1v1j n LEU 20 CO 0.13 -1.08 0.00 0.61 -1.11 0.00 0.00 177.39 175.94 1v1j n GLY 21 N 2.18 0.62 0.00 -3.96 0.00 -1.11 -4.13 105.19 98.79 1v1j n GLY 21 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.73 -0.55 -3.53 1.61 6.02 -0.76 -4.77 117.38 112.67 1v1j n GLN 22 Ca 0.00 -0.36 -0.17 0.00 -0.01 0.00 0.00 57.00 56.45 1v1j n GLN 22 Cb 0.00 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.03 1.01 -1.28 -1.09 3.03 -1.26 -4.97 118.95 114.36 1v1j s ARG 23 Ca 0.00 0.26 -0.19 0.00 2.03 0.00 0.00 55.73 57.83 1v1j s ARG 23 Cb 0.00 0.48 0.02 0.00 -1.03 0.00 0.00 34.95 34.41 1v1j s ARG 23 CO 0.00 -0.31 0.56 1.04 -1.13 0.00 0.00 175.30 175.46 1v1j n GLN 24 N 0.93 -1.19 -0.30 3.89 6.02 -1.26 -4.69 117.38 120.78 1v1j n GLN 24 Ca -0.18 0.25 -0.05 0.00 -0.01 0.00 0.00 57.00 57.00 1v1j n GLN 24 Cb 0.57 -3.51 0.07 0.00 1.02 0.00 0.00 30.24 28.39 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 -2.16 1.21 -0.09 -1.09 0.13 -1.94 0.12 132.00 128.18 1v1j h PRO 25 Ca -0.68 -0.20 0.03 0.00 -0.87 0.00 0.00 66.00 64.28 1v1j h PRO 25 Cb 1.39 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1v1j h PRO 25 CO 0.56 0.95 0.23 0.93 -0.23 0.00 0.00 178.00 180.43 1v1j h GLU 26 N 1.18 0.00 0.00 0.86 3.07 -1.88 2.03 114.58 119.84 1v1j h GLU 26 Ca 0.28 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.69 1v1j h GLU 26 Cb 0.16 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 1v1j h GLU 26 CO -0.03 0.00 -2.53 -0.89 -1.40 0.00 0.00 179.01 174.16 1v1j n ILE 27 N -3.28 1.52 0.61 3.13 5.41 -0.79 -4.73 119.36 121.22 1v1j n ILE 27 Ca -0.00 -0.42 0.07 0.00 1.00 0.00 0.00 62.75 63.40 1v1j n ILE 27 Cb 0.32 -1.80 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 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 -4.08 0.00 -0.55 1.39 4.02 0.34 -4.38 117.16 113.90 1v1j n TYR 28 Ca -0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 1v1j n TYR 28 Cb 0.90 -0.03 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 -2.97 0.45 2.72 0.00 0.69 -4.72 105.19 102.71 1v1j n GLY 29 Ca 0.02 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.14 2.35 -4.82 1.61 3.41 -1.26 -3.98 113.62 110.79 1v1j n SER 30 Ca 0.00 -1.76 -0.33 0.00 -0.26 0.00 0.00 58.87 56.52 1v1j n SER 30 Cb 0.00 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 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 -0.90 6.80 0.56 4.04 1.01 -1.26 -4.68 116.67 122.25 1v1j s ASP 31 Ca 0.15 1.73 0.05 0.00 0.71 0.00 0.00 52.55 55.19 1v1j s ASP 31 Cb 0.09 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.54 1v1j s ASP 31 CO 0.12 -0.46 0.78 0.42 0.21 0.00 0.00 175.17 176.24 1v1j s THR 32 N -2.17 2.48 0.32 -1.27 -4.23 -1.26 -2.73 115.64 106.78 1v1j s THR 32 Ca 0.63 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1v1j s THR 32 Cb -0.10 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.26 1v1j s THR 32 CO 0.16 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.37 1v1j h LEU 33 N 0.11 0.66 -1.10 4.79 5.85 -1.83 -0.88 115.31 122.91 1v1j h LEU 33 Ca -0.37 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1v1j h LEU 33 Cb 1.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1v1j h LEU 33 CO 0.44 0.63 0.24 0.00 -0.34 0.00 0.00 178.44 179.42 1v1j h ALA 34 N 1.46 1.29 -0.83 1.25 0.00 -1.94 0.24 119.26 120.73 1v1j h ALA 34 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1v1j h ALA 34 Cb 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1v1j h ALA 34 CO -0.01 0.53 0.47 -0.44 0.00 0.00 0.00 179.25 179.80 1v1j h ASP 35 N 0.86 1.02 -0.32 0.00 3.32 -1.57 -1.91 116.42 117.83 1v1j h ASP 35 Ca 0.20 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1v1j h ASP 35 Cb 0.17 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1v1j h ASP 35 CO -0.02 0.81 -0.36 0.58 -1.72 0.00 0.00 179.24 178.52 1v1j h VAL 36 N 1.15 1.29 -0.51 -1.35 2.07 -0.36 -1.68 116.25 116.86 1v1j h VAL 36 Ca 0.30 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1v1j h VAL 36 Cb -0.00 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1v1j h VAL 36 CO -0.05 0.50 0.29 -0.08 0.02 0.00 0.00 177.57 178.25 1v1j h GLU 37 N 0.58 0.55 -0.94 1.57 4.81 -0.72 -0.06 114.58 120.37 1v1j h GLU 37 Ca 0.04 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1v1j h GLU 37 Cb 0.95 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 1v1j h GLU 37 CO 0.09 0.36 0.61 0.00 -0.73 0.00 0.00 179.01 179.34 1v1j h ALA 38 N 1.25 1.30 -0.57 2.92 0.00 -1.10 0.19 119.26 123.26 1v1j h ALA 38 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1v1j h ALA 38 Cb 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1v1j h ALA 38 CO -0.12 0.63 0.12 -0.07 0.00 0.00 0.00 179.25 179.81 1v1j h LEU 39 N 1.28 0.84 -0.54 0.00 3.38 -0.45 -1.84 115.31 117.97 1v1j h LEU 39 Ca 0.34 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1v1j h LEU 39 Cb -0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1v1j h LEU 39 CO -0.07 0.83 -0.37 0.00 0.09 0.00 0.00 178.44 178.92 1v1j h VAL 41 N 0.64 1.21 -0.07 0.00 2.07 -0.21 -1.32 116.25 118.57 1v1j h VAL 41 Ca 0.06 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1v1j h VAL 41 Cb 0.92 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1v1j h VAL 41 CO 0.08 0.24 0.02 0.50 0.02 0.00 0.00 177.57 178.43 1v1j h LYS 42 N 0.70 0.11 -0.87 1.57 3.64 -1.32 -1.21 116.57 119.19 1v1j h LYS 42 Ca 0.18 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1v1j h LYS 42 Cb 0.16 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1v1j h LYS 42 CO -0.02 0.29 0.57 0.00 -2.27 0.00 0.00 179.45 178.03 1v1j h ALA 43 N 0.81 1.12 -0.15 5.00 0.00 -1.16 -2.33 119.26 122.55 1v1j h ALA 43 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1v1j h ALA 43 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1v1j h ALA 43 CO -0.00 0.49 -0.52 0.00 0.00 0.00 0.00 179.25 179.22 1v1j h ALA 44 N 1.33 0.83 -0.24 0.00 0.00 -1.02 -3.05 119.26 117.10 1v1j h ALA 44 Ca 0.33 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1v1j h ALA 44 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1v1j h ALA 44 CO -0.08 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 1v1j h ALA 45 N 1.11 1.29 -0.03 0.00 0.00 -0.71 0.26 119.26 121.18 1v1j h ALA 45 Ca 0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1v1j h ALA 45 Cb 1.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1v1j h ALA 45 CO 0.09 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.86 1v1j h ALA 46 N 1.46 1.36 -0.20 0.00 0.00 -1.32 0.34 119.26 120.90 1v1j h ALA 46 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1v1j h ALA 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1v1j h ALA 46 CO 0.03 -0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1v1j n HIS 47 N -3.51 0.24 -0.38 0.00 8.25 -0.20 -4.95 115.22 114.66 1v1j n HIS 47 Ca -0.02 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1v1j n HIS 47 Cb 0.13 -0.00 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 1.01 0.79 2.50 -1.41 0.00 0.11 -4.94 105.19 103.25 1v1j n GLY 48 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 3.41 3.38 -0.02 0.00 -0.09 -4.52 105.19 104.96 1v1j n GLY 49 Ca 0.00 -2.30 -0.19 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 -2.08 0.85 0.15 2.61 -4.23 -1.26 -3.37 115.64 108.31 1v1j s THR 50 Ca 0.08 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1v1j s THR 50 Cb -0.01 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1v1j s THR 50 CO 0.05 -0.01 -0.12 0.68 -0.54 0.00 0.00 174.62 174.68 1v1j s VAL 51 N -3.54 1.33 -0.25 2.29 -7.23 -1.26 -1.06 120.40 110.68 1v1j s VAL 51 Ca 0.37 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1v1j s VAL 51 Cb 0.08 -1.75 0.07 0.00 0.56 0.00 0.00 36.38 35.34 1v1j s VAL 51 CO 0.14 -0.59 0.01 -0.62 -0.31 0.00 0.00 175.10 173.73 1v1j s ASP 52 N -2.91 3.72 -0.23 4.85 -1.08 0.19 -4.86 116.67 116.35 1v1j s ASP 52 Ca 0.15 -1.25 -0.06 0.00 -0.52 0.00 0.00 52.55 50.86 1v1j s ASP 52 Cb -0.01 -1.00 -0.02 0.00 -1.46 0.00 0.00 42.92 40.43 1v1j s ASP 52 CO 0.03 -0.30 0.02 0.12 0.52 0.00 0.00 175.17 175.56 1v1j s PHE 53 N 1.52 3.04 0.09 -5.34 5.36 -1.26 0.18 117.98 121.56 1v1j s PHE 53 Ca -0.00 -0.61 0.03 0.00 -0.96 0.00 0.00 56.93 55.39 1v1j s PHE 53 Cb -0.18 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1v1j s PHE 53 CO -0.11 -0.42 -0.09 1.03 -1.46 0.00 0.00 175.22 174.18 1v1j s ARG 54 N 1.51 0.80 -0.01 10.12 0.52 0.05 -4.96 118.95 126.98 1v1j s ARG 54 Ca 0.06 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1v1j s ARG 54 Cb -0.15 -0.44 -0.00 0.00 0.52 0.00 0.00 34.95 34.89 1v1j s ARG 54 CO 0.01 0.06 -0.04 -1.14 0.02 0.00 0.00 175.30 174.21 1v1j s GLN 55 N -2.81 0.33 0.03 3.54 -0.44 -1.26 -1.03 119.66 118.01 1v1j s GLN 55 Ca 0.04 -0.12 -0.13 0.00 -2.50 0.00 0.00 55.36 52.65 1v1j s GLN 55 Cb -0.02 -0.33 0.02 0.00 -1.64 0.00 0.00 33.01 31.03 1v1j s GLN 55 CO -0.01 0.06 0.28 0.45 0.50 0.00 0.00 175.29 176.57 1v1j s SER 56 N 0.02 -0.10 0.00 6.67 0.15 -0.46 -4.96 113.70 115.01 1v1j s SER 56 Ca 0.00 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.75 1v1j s SER 56 Cb -0.03 0.33 0.50 0.00 -1.71 0.00 0.00 66.02 65.11 1v1j s SER 56 CO -0.00 -0.55 1.44 0.59 1.20 0.00 0.00 173.24 175.91 1v1j n ASN 57 N 0.81 2.45 -4.40 5.45 3.02 -1.26 -2.79 115.26 118.54 1v1j n ASN 57 Ca -0.20 -1.81 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 1v1j n ASN 57 Cb 0.58 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.00 3.03 0.19 3.10 3.76 -1.26 -4.75 115.29 117.36 1v1j s HIS 58 Ca 0.32 -0.60 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 1v1j s HIS 58 Cb 0.20 -2.16 0.20 0.00 1.11 0.00 0.00 32.58 31.93 1v1j s HIS 58 CO 0.31 -0.40 1.71 1.49 -0.85 0.00 0.00 174.74 177.00 1v1j h GLU 59 N 8.02 0.20 0.00 1.40 4.81 -2.00 -2.12 114.58 124.90 1v1j h GLU 59 Ca -0.39 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1v1j h GLU 59 Cb 1.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1v1j h GLU 59 CO 0.59 0.13 -0.40 0.78 -0.73 0.00 0.00 179.01 179.39 1v1j h GLY 60 N 0.20 0.00 1.58 1.92 0.00 -1.99 -1.07 103.07 103.71 1v1j h GLY 60 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.40 1v1j h GLY 60 CO -0.35 0.00 -0.73 -2.09 0.00 0.00 0.00 176.54 173.37 1v1j h GLU 61 N 0.00 0.41 -0.73 4.80 4.81 -1.87 -1.35 114.58 120.65 1v1j h GLU 61 Ca -0.00 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1v1j h GLU 61 Cb 0.82 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1v1j h GLU 61 CO 0.05 0.98 0.28 -0.07 -0.73 0.00 0.00 179.01 179.52 1v1j h LEU 62 N 0.28 1.02 -0.45 1.64 3.38 -0.68 -1.51 115.31 119.00 1v1j h LEU 62 Ca -0.03 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1v1j h LEU 62 Cb 1.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1v1j h LEU 62 CO 0.13 0.92 0.28 0.58 0.09 0.00 0.00 178.44 180.44 1v1j h VAL 63 N 1.05 1.07 -0.74 1.22 2.07 -1.01 -0.39 116.25 119.53 1v1j h VAL 63 Ca 0.24 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1v1j h VAL 63 Cb 0.23 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1v1j h VAL 63 CO -0.02 0.10 0.48 0.44 0.02 0.00 0.00 177.57 178.59 1v1j h ASP 64 N 0.56 0.85 -0.05 0.57 3.32 -0.85 -1.47 116.42 119.35 1v1j h ASP 64 Ca 0.17 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1v1j h ASP 64 Cb -0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1v1j h ASP 64 CO -0.06 0.63 -0.22 -0.50 -1.72 0.00 0.00 179.24 177.36 1v1j h TRP 65 N 1.00 0.50 -0.32 4.55 6.55 -0.88 -2.06 115.95 125.29 1v1j h TRP 65 Ca 0.27 -0.10 -0.08 0.00 0.95 0.00 0.00 58.89 59.94 1v1j h TRP 65 Cb -0.10 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.06 1v1j h TRP 65 CO -0.02 0.65 -0.12 0.82 -1.05 0.00 0.00 178.44 178.71 1v1j h ILE 66 N 0.40 1.24 -0.60 1.49 2.04 -0.10 -1.53 117.51 120.45 1v1j h ILE 66 Ca 0.06 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1v1j h ILE 66 Cb 0.62 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1v1j h ILE 66 CO 0.04 0.35 0.11 0.45 0.00 0.00 0.00 178.15 179.09 1v1j h HIS 67 N 0.50 1.02 -0.37 1.37 3.86 -0.66 -2.11 115.15 118.76 1v1j h HIS 67 Ca 0.09 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 1v1j h HIS 67 Cb 0.51 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1v1j h HIS 67 CO 0.02 0.87 -0.16 1.49 0.86 0.00 0.00 177.93 181.00 1v1j h GLU 68 N 0.92 0.68 -0.20 2.45 4.81 -0.92 -2.46 114.58 119.86 1v1j h GLU 68 Ca 0.19 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1v1j h GLU 68 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1v1j h GLU 68 CO 0.01 0.81 -0.15 0.00 -0.73 0.00 0.00 179.01 178.94 1v1j h ALA 69 N 1.21 1.37 -0.04 2.92 0.00 -0.63 -1.51 119.26 122.57 1v1j h ALA 69 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1v1j h ALA 69 Cb 0.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v1j h ALA 69 CO 0.04 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1v1j h ARG 70 N 0.32 0.00 0.00 0.00 3.08 -1.00 -1.61 114.38 115.17 1v1j h ARG 70 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.76 1v1j h ARG 70 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1v1j h ARG 70 CO 0.03 0.00 -2.26 1.28 -1.07 0.00 0.00 179.97 177.94 1v1j n LEU 71 N -4.27 0.15 0.00 3.04 4.77 -0.65 -4.74 117.00 115.31 1v1j n LEU 71 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v1j n LEU 71 Cb 0.13 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1v1j n LEU 71 CO 0.32 0.47 0.29 0.59 -1.33 0.00 0.00 177.39 177.73 1v1j n ASN 72 N -2.79 1.15 -4.36 -1.43 3.02 -0.75 -5.08 115.26 105.03 1v1j n ASN 72 Ca -0.30 -1.23 -0.18 0.00 -0.03 0.00 0.00 54.58 52.85 1v1j n ASN 72 Cb 1.13 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 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 -0.23 1.65 -1.07 3.10 3.76 -0.63 -4.35 115.29 117.54 1v1j s HIS 73 Ca 0.00 -1.01 0.21 0.00 -0.15 0.00 0.00 55.06 54.12 1v1j s HIS 73 Cb 0.00 -1.00 -0.18 0.00 1.11 0.00 0.00 32.58 32.51 1v1j s HIS 73 CO 0.00 -0.11 0.94 0.00 -0.85 0.00 0.00 174.74 174.71 1v1j n GLY 75 N 1.49 -0.32 2.93 0.00 0.00 -1.26 -4.41 105.19 103.62 1v1j n GLY 75 Ca 0.04 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 0.55 -0.19 -0.61 1.01 -0.13 -2.16 121.20 117.67 1v1j s ILE 76 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1v1j s ILE 76 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1v1j s ILE 76 CO 0.00 0.21 -0.01 -0.69 0.00 0.00 0.00 174.94 174.44 1v1j s VAL 77 N 0.57 3.89 -0.05 2.92 1.01 -0.43 -0.95 120.40 127.36 1v1j s VAL 77 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1v1j s VAL 77 Cb -0.11 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1v1j s VAL 77 CO 0.00 0.44 -0.04 -0.51 0.00 0.00 0.00 175.10 174.99 1v1j s ILE 78 N 0.89 0.53 -0.56 2.22 2.07 0.02 -0.89 121.20 125.48 1v1j s ILE 78 Ca 0.00 -0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.10 1v1j s ILE 78 Cb -0.14 -0.57 0.14 0.00 0.13 0.00 0.00 42.46 42.02 1v1j s ILE 78 CO 0.02 0.23 0.39 0.21 -1.91 0.00 0.00 174.94 173.88 1v1j s ASN 79 N 1.04 5.46 0.00 4.50 3.84 -0.12 -0.96 114.94 128.70 1v1j s ASN 79 Ca -0.09 -2.45 0.26 0.00 0.21 0.00 0.00 52.86 50.79 1v1j s ASN 79 Cb -0.14 -1.91 1.44 0.00 -0.55 0.00 0.00 41.25 40.09 1v1j s ASN 79 CO -0.01 -0.49 1.89 -2.65 -2.79 0.00 0.00 177.10 173.05 1v1j n PRO 80 N 4.08 0.61 0.00 0.43 -0.02 -1.26 0.06 135.00 138.90 1v1j n PRO 80 Ca 0.03 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1v1j n PRO 80 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.13 0.00 -0.11 3.55 0.00 -1.26 -1.88 120.51 119.67 1v1j n ALA 81 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1v1j n ALA 81 Cb 0.14 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.37 1.96 0.00 0.00 0.00 -1.93 -0.04 119.26 118.87 1v1j h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v1j h ALA 82 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1v1j h ALA 82 CO 0.00 -0.09 0.00 1.88 0.00 0.00 0.00 179.25 181.04 1v1j h TYR 83 N 0.48 0.00 -0.93 0.00 0.99 -1.77 -1.73 116.97 114.01 1v1j h TYR 83 Ca 0.30 0.00 0.24 0.00 2.00 0.00 0.00 58.73 61.27 1v1j h TYR 83 Cb 0.52 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.12 1v1j h TYR 83 CO -0.00 0.00 0.45 0.77 -0.00 0.00 0.00 178.16 179.38 1v1j h SER 84 N 0.00 0.41 0.44 3.88 0.02 -1.02 0.04 113.55 117.33 1v1j h SER 84 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1v1j h SER 84 Cb 0.26 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1v1j h SER 84 CO 0.00 -0.00 -0.46 1.41 -1.14 0.00 0.00 176.83 176.64 1v1j n HIS 85 N -5.02 0.00 0.00 3.45 8.25 -0.65 -1.58 115.22 119.66 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 0.72 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.33 0.00 -3.18 1.59 -2.24 -0.99 -4.85 114.28 103.27 1v1j n THR 86 Ca 0.07 -0.10 -0.45 0.00 -2.27 0.00 0.00 64.05 61.30 1v1j n THR 86 Cb 0.34 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.71 6.27 0.47 3.42 0.15 -0.03 -4.82 113.70 118.46 1v1j s SER 87 Ca 0.00 -1.72 0.26 0.00 0.70 0.00 0.00 55.95 55.19 1v1j s SER 87 Cb 0.00 -2.27 1.14 0.00 -1.71 0.00 0.00 66.02 63.18 1v1j s SER 87 CO 0.00 -0.98 1.92 0.58 1.20 0.00 0.00 173.24 175.97 1v1j h VAL 88 N 5.78 0.55 -0.44 4.45 2.07 -1.95 -3.06 116.25 123.64 1v1j h VAL 88 Ca -0.23 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 1v1j h VAL 88 Cb 1.08 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1v1j h VAL 88 CO 1.04 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 178.79 1v1j h ALA 89 N 1.82 1.14 -0.11 1.67 0.00 -1.97 -0.63 119.26 121.18 1v1j h ALA 89 Ca -0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1v1j h ALA 89 Cb 0.59 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1v1j h ALA 89 CO 0.02 0.55 -0.81 0.82 0.00 0.00 0.00 179.25 179.84 1v1j h ILE 90 N 0.68 1.31 0.01 0.00 2.04 -1.90 -1.92 117.51 117.73 1v1j h ILE 90 Ca 0.13 -2.08 0.01 0.00 1.00 0.00 0.00 64.86 63.93 1v1j h ILE 90 Cb 0.45 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1v1j h ILE 90 CO 0.02 0.65 -0.09 0.25 0.00 0.00 0.00 178.15 178.98 1v1j h LEU 91 N 0.43 -0.25 -1.60 1.44 5.85 -1.38 -0.93 115.31 118.88 1v1j h LEU 91 Ca -0.06 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1v1j h LEU 91 Cb 1.42 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1v1j h LEU 91 CO 0.16 -0.13 -0.06 0.44 -0.34 0.00 0.00 178.44 178.51 1v1j h ASP 92 N -0.16 0.17 -0.26 1.25 3.32 -1.05 0.93 116.42 120.62 1v1j h ASP 92 Ca 0.03 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1v1j h ASP 92 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1v1j h ASP 92 CO -0.08 0.26 -0.15 0.00 -1.72 0.00 0.00 179.24 177.55 1v1j h ALA 93 N 1.77 0.37 -0.15 3.45 0.00 -0.69 -2.52 119.26 121.49 1v1j h ALA 93 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1v1j h ALA 93 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1v1j h ALA 93 CO 0.01 0.26 -0.01 -0.07 0.00 0.00 0.00 179.25 179.44 1v1j h LEU 94 N 0.29 0.19 -0.86 0.00 3.38 -0.19 -1.53 115.31 116.58 1v1j h LEU 94 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1v1j h LEU 94 Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1v1j h LEU 94 CO 0.04 0.24 0.00 0.78 0.09 0.00 0.00 178.44 179.59 1v1j h ASN 95 N 0.21 0.00 0.86 -0.43 -0.26 -0.42 -1.44 115.58 114.10 1v1j h ASN 95 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 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 0.00 0.00 -0.35 0.35 -1.06 0.00 0.00 177.43 176.37 1v1j n THR 96 N -2.34 0.19 -1.94 2.81 -2.24 -0.58 -4.41 114.28 105.77 1v1j n THR 96 Ca 0.02 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1v1j n THR 96 Cb 0.22 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 1.36 6.54 0.00 0.00 1.01 -1.26 -1.92 116.67 122.40 1v1j s ASP 98 Ca 0.50 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.37 1v1j s ASP 98 Cb 0.14 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1v1j s ASP 98 CO -0.05 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.03 1v1j n GLY 99 N 4.00 2.09 3.72 0.21 0.00 -1.26 -4.97 105.19 108.98 1v1j n GLY 99 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.39 0.15 0.99 2.96 -0.81 -4.97 118.68 121.39 1v1j s LEU 100 Ca 0.00 1.50 -0.30 0.00 -0.22 0.00 0.00 54.13 55.10 1v1j s LEU 100 Cb 0.00 -3.36 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 1v1j s LEU 100 CO 0.00 -0.14 1.23 -2.84 -1.32 0.00 0.00 176.35 173.28 1v1j s PRO 101 N 0.62 4.45 -0.10 0.98 0.02 -1.26 -4.94 135.00 134.77 1v1j s PRO 101 Ca 0.45 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1v1j s PRO 101 Cb -0.20 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 31.07 1v1j s PRO 101 CO 0.24 -0.18 -0.12 0.08 -0.33 0.00 0.00 177.00 176.69 1v1j s VAL 102 N 0.38 1.23 -0.13 3.83 1.01 -1.26 -0.96 120.40 124.50 1v1j s VAL 102 Ca 0.56 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1v1j s VAL 102 Cb -0.33 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1v1j s VAL 102 CO 0.34 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.92 1v1j s VAL 103 N 1.16 2.07 -0.07 2.92 1.01 -0.12 -0.84 120.40 126.54 1v1j s VAL 103 Ca -0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 1v1j s VAL 103 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1v1j s VAL 103 CO -0.03 0.55 0.57 -0.70 0.00 0.00 0.00 175.10 175.49 1v1j s GLU 104 N 0.68 4.34 -0.03 2.72 2.12 -0.36 -0.80 118.70 127.38 1v1j s GLU 104 Ca -0.10 0.65 0.05 0.00 0.36 0.00 0.00 54.97 55.92 1v1j s GLU 104 Cb -0.16 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1v1j s GLU 104 CO 0.01 0.22 -0.17 0.08 -0.54 0.00 0.00 175.26 174.86 1v1j s VAL 105 N 0.36 1.37 -0.06 3.70 1.01 -0.14 -1.13 120.40 125.51 1v1j s VAL 105 Ca 0.30 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1v1j s VAL 105 Cb -0.17 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1v1j s VAL 105 CO 0.15 0.39 -0.15 -1.00 0.00 0.00 0.00 175.10 174.48 1v1j s HIS 106 N -0.15 1.70 -0.01 5.22 3.76 0.05 -4.08 115.29 121.78 1v1j s HIS 106 Ca 0.01 -0.60 -0.25 0.00 -0.15 0.00 0.00 55.06 54.07 1v1j s HIS 106 Cb -0.09 -1.19 -0.18 0.00 1.11 0.00 0.00 32.58 32.23 1v1j s HIS 106 CO 0.01 -0.26 1.25 0.82 -0.85 0.00 0.00 174.74 175.70 1v1j h ILE 107 N 5.71 1.09 -4.30 0.60 2.04 -1.86 -2.12 117.51 118.66 1v1j h ILE 107 Ca -0.29 -0.89 -0.48 0.00 1.00 0.00 0.00 64.86 64.20 1v1j h ILE 107 Cb 1.19 1.64 0.08 0.00 -0.74 0.00 0.00 36.82 38.99 1v1j h ILE 107 CO 0.47 0.21 0.36 -0.94 0.00 0.00 0.00 178.15 178.25 1v1j s SER 108 N -5.44 5.29 -0.73 1.72 1.04 -1.26 -2.27 113.70 112.04 1v1j s SER 108 Ca -0.15 0.96 -0.17 0.00 0.48 0.00 0.00 55.95 57.07 1v1j s SER 108 Cb 0.02 -1.73 0.14 0.00 0.10 0.00 0.00 66.02 64.55 1v1j s SER 108 CO 0.61 -1.39 0.82 0.21 0.98 0.00 0.00 173.24 174.46 1v1j s ASN 109 N -4.39 6.45 0.62 7.02 3.84 -1.26 -1.85 114.94 125.36 1v1j s ASN 109 Ca 0.58 -1.94 0.36 0.00 0.21 0.00 0.00 52.86 52.07 1v1j s ASN 109 Cb -0.11 -2.30 1.96 0.00 -0.55 0.00 0.00 41.25 40.26 1v1j s ASN 109 CO 0.50 -0.95 2.10 0.16 -2.79 0.00 0.00 177.10 176.12 1v1j h ILE 110 N 5.59 0.00 0.00 -5.21 3.07 -1.92 -1.93 117.51 117.11 1v1j h ILE 110 Ca -0.08 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1v1j h ILE 110 Cb 1.06 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1v1j h ILE 110 CO 1.01 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.52 1v1j n HIS 111 N -2.89 0.00 -0.12 0.16 8.25 -1.26 -2.08 115.22 117.27 1v1j n HIS 111 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 1v1j n HIS 111 Cb 0.19 -0.48 0.21 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.48 2.59 0.00 -0.41 6.02 -0.73 -4.97 117.38 118.41 1v1j n GLN 112 Ca 0.07 -2.22 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 1v1j n GLN 112 Cb 0.31 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 1.04 3.66 -1.66 -1.09 1.74 -0.88 -5.06 116.66 114.39 1v1j n ARG 113 Ca 0.17 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1v1j n ARG 113 Cb 0.50 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.96 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 1.62 -0.26 5.56 4.71 -1.26 -4.87 120.64 126.14 1v1j n GLU 114 Ca 0.00 0.58 0.21 0.00 -0.01 0.00 0.00 57.16 57.94 1v1j n GLU 114 Cb 0.00 -2.25 0.53 0.00 -1.01 0.00 0.00 31.44 28.70 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 1.72 0.36 0.00 3.49 0.11 -1.96 0.24 132.00 135.96 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 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1v1j h PRO 115 CO 0.58 0.24 0.00 1.97 -0.21 0.00 0.00 178.00 180.58 1v1j n PHE 116 N -4.51 0.63 1.22 0.65 1.16 -1.26 -1.56 117.46 113.79 1v1j n PHE 116 Ca 0.21 0.25 0.13 0.00 -1.87 0.00 0.00 57.45 56.16 1v1j n PHE 116 Cb 0.76 -0.90 0.41 0.00 -1.61 0.00 0.00 39.48 38.15 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 -2.07 0.60 0.22 3.97 1.74 0.07 -4.08 116.66 117.11 1v1j n ARG 117 Ca 0.02 -0.31 0.10 0.00 -0.77 0.00 0.00 57.85 56.89 1v1j n ARG 117 Cb 0.21 -1.49 0.48 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.76 0.00 -3.25 -1.55 3.86 -1.33 -3.44 115.15 110.20 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 0.47 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.79 1v1j h HIS 118 CO 0.00 0.22 -0.60 -1.58 0.86 0.00 0.00 177.93 176.83 1v1j s HIS 119 N -3.69 3.20 -0.08 2.45 5.65 -1.26 -4.97 115.29 116.60 1v1j s HIS 119 Ca 0.00 0.15 0.01 0.00 0.25 0.00 0.00 55.06 55.47 1v1j s HIS 119 Cb 0.10 -1.86 0.02 0.00 -1.18 0.00 0.00 32.58 29.66 1v1j s HIS 119 CO 0.63 0.39 -0.08 0.45 -0.65 0.00 0.00 174.74 175.49 1v1j s SER 120 N -0.58 1.74 0.31 9.88 0.15 -1.26 -4.29 113.70 119.65 1v1j s SER 120 Ca 0.10 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 56.59 1v1j s SER 120 Cb -0.12 -0.73 0.52 0.00 -1.71 0.00 0.00 66.02 63.98 1v1j s SER 120 CO 0.02 -0.06 1.72 1.88 1.20 0.00 0.00 173.24 178.01 1v1j h TYR 121 N 7.56 0.13 -0.09 3.44 -1.99 -1.62 -2.91 116.97 121.48 1v1j h TYR 121 Ca -0.31 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.31 1v1j h TYR 121 Cb 1.15 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 1v1j h TYR 121 CO 0.48 0.54 -0.28 0.28 -0.00 0.00 0.00 178.16 179.19 1v1j h VAL 122 N 0.09 1.24 -0.01 -2.88 2.07 -1.88 -2.96 116.25 111.91 1v1j h VAL 122 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1v1j h VAL 122 Cb 0.83 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1v1j h VAL 122 CO 0.06 0.34 0.02 0.28 0.02 0.00 0.00 177.57 178.29 1v1j h SER 123 N 0.15 0.00 0.69 0.57 0.02 -1.88 -0.31 113.55 112.80 1v1j h SER 123 Ca 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1v1j h SER 123 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1v1j h SER 123 CO 0.04 0.00 -0.38 1.56 -1.14 0.00 0.00 176.83 176.91 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.69 -3.28 115.11 117.79 1v1j h GLN 124 Ca 0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.40 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 0.38 -2.19 -2.13 -0.67 0.00 0.00 178.83 174.22 1v1j n ARG 125 N -3.67 1.13 -1.87 1.46 3.00 -0.56 -5.01 116.66 111.15 1v1j n ARG 125 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.43 1v1j n ARG 125 Cb 0.48 -1.44 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 1v1j n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1v1j s ALA 126 N -2.42 3.57 0.11 5.13 0.00 -0.24 -4.90 121.76 123.02 1v1j s ALA 126 Ca -0.10 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 1v1j s ALA 126 Cb 0.05 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1v1j s ALA 126 CO 0.69 -0.96 1.59 -0.44 0.00 0.00 0.00 175.76 176.63 1v1j h ASP 127 N 3.22 0.51 -4.36 0.00 3.32 -1.33 -3.45 116.42 114.33 1v1j h ASP 127 Ca -0.50 -0.25 -0.35 0.00 0.02 0.00 0.00 57.03 55.94 1v1j h ASP 127 Cb 1.23 -0.14 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1v1j h ASP 127 CO 0.66 0.64 -0.75 -0.83 -1.72 0.00 0.00 179.24 177.24 1v1j s GLY 128 N -3.08 0.87 -0.06 2.75 0.00 -1.20 -5.06 107.32 101.54 1v1j s GLY 128 Ca -0.13 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1v1j s GLY 128 CO 0.76 -1.20 -0.06 0.14 0.00 0.00 0.00 173.10 172.73 1v1j s VAL 129 N -2.10 0.70 -0.12 1.40 1.01 -1.26 -1.22 120.40 118.80 1v1j s VAL 129 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1v1j s VAL 129 Cb -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1v1j s VAL 129 CO 0.01 0.27 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1v1j s VAL 130 N 1.10 1.61 -0.02 2.92 1.01 -0.28 -4.99 120.40 121.75 1v1j s VAL 130 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1v1j s VAL 130 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1v1j s VAL 130 CO -0.01 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 1v1j s ALA 131 N 1.08 0.65 -0.37 5.51 0.00 -1.26 -0.77 121.76 126.60 1v1j s ALA 131 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1v1j s ALA 131 Cb -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1v1j s ALA 131 CO -0.04 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1v1j n GLY 132 N 3.22 0.64 1.61 0.00 0.00 -0.77 -4.77 105.19 105.12 1v1j n GLY 132 Ca -0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 0.15 0.73 0.22 0.00 0.00 -0.96 -2.83 105.19 102.49 1v1j n GLY 134 Ca 0.26 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.80 116.25 112.65 1v1j h VAL 135 Ca 0.00 -0.24 0.01 0.00 -1.23 0.00 0.00 66.70 65.24 1v1j h VAL 135 Cb 0.00 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 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 -0.51 5.19 4.15 -1.95 -1.00 115.11 121.00 1v1j h GLN 136 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1v1j h GLN 136 Cb 0.28 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1v1j h GLN 136 CO 0.00 0.00 0.34 0.78 -1.93 0.00 0.00 178.83 178.02 1v1j h GLY 137 N 0.00 0.60 1.47 2.39 0.00 -1.25 0.33 103.07 106.60 1v1j h GLY 137 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1v1j h GLY 137 CO -0.00 0.16 0.29 -0.97 0.00 0.00 0.00 176.54 176.02 1v1j h TYR 138 N 0.50 0.44 -0.13 5.60 -1.99 -1.38 0.84 116.97 120.85 1v1j h TYR 138 Ca 0.21 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.82 1v1j h TYR 138 Cb 0.22 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1v1j h TYR 138 CO -0.00 0.26 -0.46 0.28 -0.00 0.00 0.00 178.16 178.24 1v1j h VAL 139 N 0.46 1.35 -0.63 -2.88 2.07 -1.08 -1.56 116.25 113.97 1v1j h VAL 139 Ca 0.17 -1.75 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1v1j h VAL 139 Cb 0.13 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1v1j h VAL 139 CO -0.04 0.53 0.34 -0.26 0.02 0.00 0.00 177.57 178.16 1v1j h PHE 140 N 0.18 0.62 -0.55 1.57 0.05 -0.88 -0.62 116.94 117.30 1v1j h PHE 140 Ca -0.02 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.85 1v1j h PHE 140 Cb 1.09 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.80 1v1j h PHE 140 CO 0.10 0.29 0.27 0.78 -0.18 0.00 0.00 178.31 179.57 1v1j h GLY 141 N 0.63 0.78 1.22 -1.45 0.00 -0.66 0.35 103.07 103.95 1v1j h GLY 141 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1v1j h GLY 141 CO -0.18 0.09 0.12 -2.08 0.00 0.00 0.00 176.54 174.49 1v1j h VAL 142 N 0.50 1.25 -0.25 4.60 2.07 -0.65 -1.09 116.25 122.68 1v1j h VAL 142 Ca 0.25 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1v1j h VAL 142 Cb 0.20 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1v1j h VAL 142 CO -0.19 0.35 -0.33 -0.08 0.02 0.00 0.00 177.57 177.33 1v1j h GLU 143 N 0.91 0.52 -0.33 1.57 4.57 -0.64 -0.78 114.58 120.41 1v1j h GLU 143 Ca 0.19 -0.23 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 1v1j h GLU 143 Cb 0.36 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1v1j h GLU 143 CO 0.00 0.79 -0.43 -0.09 -1.18 0.00 0.00 179.01 178.11 1v1j h ARG 144 N 0.45 0.84 -0.77 1.92 9.65 -0.61 -2.65 114.38 123.20 1v1j h ARG 144 Ca 0.05 -0.46 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 1v1j h ARG 144 Cb 0.80 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.37 1v1j h ARG 144 CO 0.06 1.10 0.39 0.82 2.80 0.00 0.00 179.97 185.14 1v1j h ILE 145 N 0.67 1.24 -0.77 1.20 1.08 -0.85 -0.21 117.51 119.88 1v1j h ILE 145 Ca 0.05 -0.64 0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1v1j h ILE 145 Cb 1.01 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 1v1j h ILE 145 CO 0.10 0.27 0.50 0.00 -0.69 0.00 0.00 178.15 178.34 1v1j h ALA 146 N 1.20 1.58 0.00 1.87 0.00 -1.10 0.41 119.26 123.22 1v1j h ALA 146 Ca 0.27 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1v1j h ALA 146 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1v1j h ALA 146 CO -0.04 0.33 -0.91 0.00 0.00 0.00 0.00 179.25 178.63 1v1j h ALA 147 N 1.56 0.42 0.18 0.00 0.00 -0.96 -2.15 119.26 118.31 1v1j h ALA 147 Ca 0.31 -0.83 -0.32 0.00 0.00 0.00 0.00 54.91 54.07 1v1j h ALA 147 Cb 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1v1j h ALA 147 CO -0.10 1.13 -1.51 -0.07 0.00 0.00 0.00 179.25 178.71 1v1j h LEU 148 N 0.00 0.61 -0.54 0.00 3.38 -0.45 -3.31 115.31 115.00 1v1j h LEU 148 Ca -0.01 -0.74 -0.16 0.00 0.09 0.00 0.00 57.88 57.06 1v1j h LEU 148 Cb 1.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1v1j h LEU 148 CO 0.12 1.60 -0.53 0.00 0.09 0.00 0.00 178.44 179.72 1v1j h ALA 149 N 0.31 0.72 0.00 1.53 0.00 -0.29 -3.50 119.26 118.03 1v1j h ALA 149 Ca -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1v1j h ALA 149 Cb 2.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1v1j h ALA 149 CO 0.21 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.56