#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 3.53 0.43 0.54 0.52 -1.26 -5.12 118.95 117.59 1v1j s ARG 2 Ca 0.00 -0.29 0.08 0.00 -0.52 0.00 0.00 55.73 55.00 1v1j s ARG 2 Cb 0.00 -2.76 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 1v1j s ARG 2 CO 0.00 0.31 0.46 -1.54 0.02 0.00 0.00 175.30 174.55 1v1j s SER 3 N -3.40 5.25 0.66 0.23 1.04 -1.26 -4.78 113.70 111.44 1v1j s SER 3 Ca 0.40 -0.65 0.38 0.00 0.48 0.00 0.00 55.95 56.56 1v1j s SER 3 Cb -0.10 -0.54 2.09 0.00 0.10 0.00 0.00 66.02 67.56 1v1j s SER 3 CO 0.31 -0.73 2.18 -0.07 0.98 0.00 0.00 173.24 175.91 1v1j h LEU 4 N 0.85 0.00 0.00 2.42 4.07 -1.87 -1.50 115.31 119.28 1v1j h LEU 4 Ca -0.40 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.47 1v1j h LEU 4 Cb 1.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 1v1j h LEU 4 CO 0.52 0.00 -1.01 0.00 -1.08 0.00 0.00 178.44 176.88 1v1j h ALA 5 N 1.73 0.63 0.00 1.53 0.00 -1.93 -3.36 119.26 117.86 1v1j h ALA 5 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1v1j h ALA 5 Cb 0.29 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1v1j h ALA 5 CO -0.00 0.46 -1.02 0.09 0.00 0.00 0.00 179.25 178.78 1v1j n ASN 6 N -2.88 0.69 -3.61 0.00 3.02 -0.59 -4.98 115.26 106.92 1v1j n ASN 6 Ca -0.03 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 1v1j n ASN 6 Cb 0.69 0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 40.70 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 -3.11 -1.91 0.87 5.41 0.00 -1.06 -4.92 121.76 117.04 1v1j s ALA 7 Ca 0.06 1.75 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 1v1j s ALA 7 Cb 0.16 -1.03 0.12 0.00 0.00 0.00 0.00 23.12 22.36 1v1j s ALA 7 CO 0.82 -0.29 1.10 -1.25 0.00 0.00 0.00 175.76 176.14 1v1j s PRO 8 N -0.29 1.44 -0.12 0.00 0.04 -1.26 -4.28 135.00 130.53 1v1j s PRO 8 Ca -0.00 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 1v1j s PRO 8 Cb -0.03 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1v1j s PRO 8 CO -0.01 -2.08 0.66 0.42 0.04 0.00 0.00 177.00 176.03 1v1j s ILE 9 N -3.03 5.05 -0.10 0.56 1.01 0.03 -0.98 121.20 123.73 1v1j s ILE 9 Ca 0.63 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 62.35 1v1j s ILE 9 Cb -0.17 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1v1j s ILE 9 CO 0.56 0.21 0.81 -0.32 0.00 0.00 0.00 174.94 176.19 1v1j s MET 10 N 1.18 4.40 -0.30 2.79 -2.45 -0.93 -0.96 119.30 123.02 1v1j s MET 10 Ca 0.34 1.03 -0.04 0.00 -1.25 0.00 0.00 55.69 55.77 1v1j s MET 10 Cb -0.17 -3.51 0.04 0.00 1.25 0.00 0.00 34.83 32.45 1v1j s MET 10 CO 0.14 -0.13 0.03 0.42 1.05 0.00 0.00 175.02 176.54 1v1j s ILE 11 N 1.43 3.33 -0.12 10.11 -1.09 0.40 -1.34 121.20 133.91 1v1j s ILE 11 Ca 0.40 -1.17 -0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1v1j s ILE 11 Cb -0.18 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 1v1j s ILE 11 CO 0.17 -0.06 0.03 -0.76 -1.23 0.00 0.00 174.94 173.09 1v1j s LEU 12 N 1.34 3.69 -0.07 2.97 1.43 0.30 -1.11 118.68 127.23 1v1j s LEU 12 Ca -0.03 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1v1j s LEU 12 Cb -0.19 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1v1j s LEU 12 CO 0.00 0.30 -0.20 0.20 0.23 0.00 0.00 176.35 176.89 1v1j s ASN 13 N -0.41 2.54 0.14 2.29 0.01 -0.19 -0.85 114.94 118.46 1v1j s ASN 13 Ca 0.08 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 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 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 1v1j n GLY 14 N 3.37 0.38 3.74 0.66 0.00 0.11 -1.41 105.19 112.04 1v1j n GLY 14 Ca -0.19 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 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 0.39 2.77 0.00 1.61 0.04 -0.88 -3.17 135.00 135.76 1v1j s PRO 15 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1v1j s PRO 15 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1v1j s PRO 15 CO 0.00 -1.42 0.00 0.09 0.04 0.00 0.00 177.00 175.71 1v1j n ASN 16 N -1.64 0.00 0.18 6.66 3.02 -1.26 -4.58 115.26 117.63 1v1j n ASN 16 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1v1j n ASN 16 Cb 0.48 -1.04 0.47 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.59 3.41 3.38 -1.91 -1.46 115.31 116.14 1v1j h LEU 17 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 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 0.12 -0.55 0.09 0.00 0.00 178.44 178.10 1v1j h ASN 18 N 0.00 0.00 -0.67 -0.43 -1.07 -1.88 -1.44 115.58 110.09 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 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 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 -3.16 3.58 -4.60 6.14 4.77 -0.55 -4.85 117.00 118.32 1v1j n LEU 19 Ca -0.02 -1.79 -0.48 0.00 -0.03 0.00 0.00 56.01 53.69 1v1j n LEU 19 Cb 0.19 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1v1j n LEU 19 CO 0.19 0.89 0.79 -0.11 -1.33 0.00 0.00 177.39 177.83 1v1j n LEU 20 N 1.46 1.87 0.00 2.23 7.94 -0.54 -2.21 117.00 127.75 1v1j n LEU 20 Ca 0.22 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1v1j n LEU 20 Cb 0.56 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.25 1v1j n LEU 20 CO 0.15 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 175.93 1v1j n GLY 21 N 2.08 0.62 0.00 -3.96 0.00 -1.15 -4.09 105.19 98.68 1v1j n GLY 21 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.74 -0.10 -3.53 1.61 6.02 -0.94 -4.77 117.38 112.94 1v1j n GLN 22 Ca 0.00 -0.30 -0.18 0.00 -0.01 0.00 0.00 57.00 56.51 1v1j n GLN 22 Cb 0.00 -0.78 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 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 -0.07 1.05 -1.34 -1.09 3.03 -1.26 -4.97 118.95 114.30 1v1j s ARG 23 Ca 0.00 0.23 -0.13 0.00 2.03 0.00 0.00 55.73 57.85 1v1j s ARG 23 Cb 0.00 0.49 0.01 0.00 -1.03 0.00 0.00 34.95 34.42 1v1j s ARG 23 CO 0.00 -0.33 0.46 1.04 -1.13 0.00 0.00 175.30 175.34 1v1j n GLN 24 N 0.90 -1.50 -0.33 3.89 6.02 -1.26 -4.68 117.38 120.41 1v1j n GLN 24 Ca -0.19 0.25 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1v1j n GLN 24 Cb 0.57 -3.69 0.09 0.00 1.02 0.00 0.00 30.24 28.23 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 -2.05 1.21 -0.15 -1.09 0.13 -1.94 0.17 132.00 128.28 1v1j h PRO 25 Ca -0.67 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 64.40 1v1j h PRO 25 Cb 1.39 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1v1j h PRO 25 CO 0.59 0.84 0.28 0.93 -0.23 0.00 0.00 178.00 180.41 1v1j h GLU 26 N 1.22 0.00 0.00 0.86 3.07 -1.88 1.82 114.58 119.67 1v1j h GLU 26 Ca 0.32 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.75 1v1j h GLU 26 Cb -0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 1v1j h GLU 26 CO -0.06 0.00 -2.33 -0.89 -1.40 0.00 0.00 179.01 174.33 1v1j n ILE 27 N -3.38 1.53 0.64 3.13 5.41 -0.47 -4.73 119.36 121.50 1v1j n ILE 27 Ca 0.01 -0.33 0.07 0.00 1.00 0.00 0.00 62.75 63.50 1v1j n ILE 27 Cb 0.38 -1.90 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 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 -4.27 0.00 -0.48 1.39 4.02 0.49 -4.45 117.16 113.87 1v1j n TYR 28 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1v1j n TYR 28 Cb 0.85 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 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 -3.01 0.58 2.72 0.00 0.62 -4.72 105.19 102.75 1v1j n GLY 29 Ca 0.02 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.25 2.69 -4.81 1.61 3.41 -1.26 -3.98 113.62 111.03 1v1j n SER 30 Ca 0.00 -1.88 -0.35 0.00 -0.26 0.00 0.00 58.87 56.38 1v1j n SER 30 Cb 0.00 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.98 7.06 0.66 4.04 1.01 -1.26 -4.70 116.67 122.51 1v1j s ASP 31 Ca 0.20 1.62 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1v1j s ASP 31 Cb 0.11 -2.50 0.10 0.00 1.01 0.00 0.00 42.92 41.63 1v1j s ASP 31 CO 0.15 -0.18 0.92 0.42 0.21 0.00 0.00 175.17 176.69 1v1j s THR 32 N -1.86 2.29 0.28 -1.27 -4.23 -1.26 -2.96 115.64 106.62 1v1j s THR 32 Ca 0.54 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1v1j s THR 32 Cb -0.13 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.20 1v1j s THR 32 CO 0.18 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.34 1v1j h LEU 33 N -0.32 0.79 -1.14 4.79 5.85 -1.83 -0.69 115.31 122.76 1v1j h LEU 33 Ca -0.38 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1v1j h LEU 33 Cb 1.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1v1j h LEU 33 CO 0.44 0.77 0.27 0.00 -0.34 0.00 0.00 178.44 179.58 1v1j h ALA 34 N 1.33 1.33 -0.60 1.25 0.00 -1.93 -0.11 119.26 120.52 1v1j h ALA 34 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1v1j h ALA 34 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1v1j h ALA 34 CO -0.00 0.51 0.16 -0.44 0.00 0.00 0.00 179.25 179.49 1v1j h ASP 35 N 0.87 0.86 -0.16 0.00 3.32 -1.60 -1.92 116.42 117.79 1v1j h ASP 35 Ca 0.21 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1v1j h ASP 35 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1v1j h ASP 35 CO -0.02 0.83 0.00 0.58 -1.72 0.00 0.00 179.24 178.91 1v1j h VAL 36 N 0.89 1.25 -0.81 -1.35 2.07 -0.28 -2.04 116.25 115.99 1v1j h VAL 36 Ca 0.20 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1v1j h VAL 36 Cb 0.29 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1v1j h VAL 36 CO -0.00 0.25 0.45 -0.08 0.02 0.00 0.00 177.57 178.20 1v1j h GLU 37 N 0.04 0.72 -0.54 1.57 4.81 -0.76 0.49 114.58 120.92 1v1j h GLU 37 Ca 0.05 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1v1j h GLU 37 Cb 0.37 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1v1j h GLU 37 CO 0.01 0.48 0.18 0.00 -0.73 0.00 0.00 179.01 178.95 1v1j h ALA 38 N 1.46 1.31 -0.59 2.92 0.00 -1.15 0.31 119.26 123.52 1v1j h ALA 38 Ca 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1v1j h ALA 38 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1v1j h ALA 38 CO -0.26 0.50 0.04 -0.07 0.00 0.00 0.00 179.25 179.46 1v1j h LEU 39 N 0.77 0.99 -0.60 0.00 3.38 -0.23 -2.40 115.31 117.23 1v1j h LEU 39 Ca 0.18 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1v1j h LEU 39 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1v1j h LEU 39 CO -0.01 1.03 -0.46 0.00 0.09 0.00 0.00 178.44 179.10 1v1j h VAL 41 N 0.47 1.24 -0.13 0.00 2.07 0.00 -0.82 116.25 119.08 1v1j h VAL 41 Ca 0.03 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1v1j h VAL 41 Cb 0.98 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1v1j h VAL 41 CO 0.09 0.29 -0.06 0.50 0.02 0.00 0.00 177.57 178.41 1v1j h LYS 42 N 0.99 0.27 -0.75 1.57 3.64 -1.33 -0.42 116.57 120.54 1v1j h LYS 42 Ca 0.24 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1v1j h LYS 42 Cb 0.15 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1v1j h LYS 42 CO -0.03 0.60 0.50 0.00 -2.27 0.00 0.00 179.45 178.25 1v1j h ALA 43 N 0.66 0.95 -0.22 5.00 0.00 -1.19 -2.30 119.26 122.16 1v1j h ALA 43 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1v1j h ALA 43 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1v1j h ALA 43 CO 0.02 0.37 -0.42 0.00 0.00 0.00 0.00 179.25 179.22 1v1j h ALA 44 N 1.28 0.86 -0.41 0.00 0.00 -1.00 -3.05 119.26 116.93 1v1j h ALA 44 Ca 0.28 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1v1j h ALA 44 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1v1j h ALA 44 CO -0.06 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.90 1v1j h ALA 45 N 1.11 1.35 -0.02 0.00 0.00 -0.61 0.01 119.26 121.10 1v1j h ALA 45 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1v1j h ALA 45 Cb 0.92 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1v1j h ALA 45 CO 0.08 0.46 0.04 0.00 0.00 0.00 0.00 179.25 179.83 1v1j h ALA 46 N 1.47 1.32 -0.15 0.00 0.00 -1.31 0.10 119.26 120.68 1v1j h ALA 46 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1v1j h ALA 46 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1v1j h ALA 46 CO 0.00 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.92 1v1j n HIS 47 N -3.45 0.18 -0.38 0.00 8.25 -0.17 -4.95 115.22 114.70 1v1j n HIS 47 Ca -0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1v1j n HIS 47 Cb 0.12 -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 1.11 0.77 2.29 -1.41 0.00 0.36 -4.95 105.19 103.36 1v1j n GLY 48 Ca 0.13 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 3.79 3.33 -0.02 0.00 -0.29 -4.48 105.19 105.13 1v1j n GLY 49 Ca 0.00 -2.31 -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 -2.14 0.61 0.11 2.61 -4.23 -1.26 -3.53 115.64 107.81 1v1j s THR 50 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1v1j s THR 50 Cb -0.00 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1v1j s THR 50 CO 0.00 0.00 -0.10 0.68 -0.54 0.00 0.00 174.62 174.66 1v1j s VAL 51 N -3.70 0.97 -0.27 2.29 -7.23 -1.26 -0.79 120.40 110.40 1v1j s VAL 51 Ca 0.38 -1.74 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1v1j s VAL 51 Cb 0.08 -1.48 0.08 0.00 0.56 0.00 0.00 36.38 35.62 1v1j s VAL 51 CO 0.14 -0.62 0.04 -0.62 -0.31 0.00 0.00 175.10 173.73 1v1j s ASP 52 N -2.63 3.78 -0.27 4.85 -1.08 -0.14 -4.87 116.67 116.32 1v1j s ASP 52 Ca 0.08 -1.37 -0.08 0.00 -0.52 0.00 0.00 52.55 50.66 1v1j s ASP 52 Cb -0.01 -0.95 -0.02 0.00 -1.46 0.00 0.00 42.92 40.48 1v1j s ASP 52 CO -0.00 -0.34 0.09 0.12 0.52 0.00 0.00 175.17 175.56 1v1j s PHE 53 N 1.56 3.11 0.07 -5.34 5.36 -1.26 -0.45 117.98 121.03 1v1j s PHE 53 Ca 0.03 -0.49 0.03 0.00 -0.96 0.00 0.00 56.93 55.54 1v1j s PHE 53 Cb -0.18 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.21 1v1j s PHE 53 CO -0.15 -0.39 -0.08 1.03 -1.46 0.00 0.00 175.22 174.17 1v1j s ARG 54 N 1.61 0.71 -0.00 10.12 0.52 -0.27 -4.97 118.95 126.67 1v1j s ARG 54 Ca 0.06 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1v1j s ARG 54 Cb -0.16 -0.35 -0.00 0.00 0.52 0.00 0.00 34.95 34.96 1v1j s ARG 54 CO 0.04 0.04 -0.05 -1.14 0.02 0.00 0.00 175.30 174.22 1v1j s GLN 55 N -2.56 0.39 0.04 3.54 -0.44 -1.26 -1.02 119.66 118.35 1v1j s GLN 55 Ca 0.01 -0.17 -0.12 0.00 -2.50 0.00 0.00 55.36 52.57 1v1j s GLN 55 Cb -0.04 -0.38 0.01 0.00 -1.64 0.00 0.00 33.01 30.97 1v1j s GLN 55 CO -0.01 0.10 0.25 0.45 0.50 0.00 0.00 175.29 176.59 1v1j s SER 56 N -0.12 -0.06 0.00 6.67 0.15 -0.50 -4.96 113.70 114.89 1v1j s SER 56 Ca 0.02 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.66 1v1j s SER 56 Cb -0.02 0.32 0.39 0.00 -1.71 0.00 0.00 66.02 65.00 1v1j s SER 56 CO -0.00 -0.58 1.36 0.59 1.20 0.00 0.00 173.24 175.81 1v1j n ASN 57 N 0.68 2.28 -4.47 5.45 3.02 -1.26 -2.08 115.26 118.88 1v1j n ASN 57 Ca -0.19 -1.68 -0.35 0.00 -0.03 0.00 0.00 54.58 52.32 1v1j n ASN 57 Cb 0.59 0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.75 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 -2.15 3.08 0.16 3.10 3.76 -1.26 -4.74 115.29 117.23 1v1j s HIS 58 Ca 0.28 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 1v1j s HIS 58 Cb 0.20 -2.13 0.05 0.00 1.11 0.00 0.00 32.58 31.80 1v1j s HIS 58 CO 0.39 -0.23 1.78 1.49 -0.85 0.00 0.00 174.74 177.31 1v1j h GLU 59 N 7.64 0.38 -0.16 1.40 4.81 -2.00 -1.90 114.58 124.75 1v1j h GLU 59 Ca -0.37 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1v1j h GLU 59 Cb 1.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1v1j h GLU 59 CO 0.61 0.25 -0.23 0.78 -0.73 0.00 0.00 179.01 179.69 1v1j h GLY 60 N 0.40 0.31 1.67 1.92 0.00 -1.99 -1.05 103.07 104.33 1v1j h GLY 60 Ca 0.16 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1v1j h GLY 60 CO -0.11 0.21 -0.60 -2.09 0.00 0.00 0.00 176.54 173.95 1v1j h GLU 61 N 0.26 0.34 -0.63 4.80 4.81 -1.89 -0.57 114.58 121.70 1v1j h GLU 61 Ca 0.04 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1v1j h GLU 61 Cb 0.56 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1v1j h GLU 61 CO 0.04 0.84 0.20 -0.07 -0.73 0.00 0.00 179.01 179.29 1v1j h LEU 62 N 0.25 0.92 -0.43 1.64 3.38 -0.50 -0.35 115.31 120.23 1v1j h LEU 62 Ca -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1v1j h LEU 62 Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1v1j h LEU 62 CO 0.10 0.88 0.19 0.58 0.09 0.00 0.00 178.44 180.28 1v1j h VAL 63 N 0.91 1.19 -0.56 1.22 2.07 -0.89 -0.59 116.25 119.60 1v1j h VAL 63 Ca 0.21 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1v1j h VAL 63 Cb 0.29 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1v1j h VAL 63 CO -0.01 0.20 0.31 0.44 0.02 0.00 0.00 177.57 178.54 1v1j h ASP 64 N 0.55 0.46 -0.23 0.57 3.32 -0.69 -1.72 116.42 118.68 1v1j h ASP 64 Ca 0.15 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1v1j h ASP 64 Cb 0.14 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1v1j h ASP 64 CO -0.02 0.32 -0.05 -0.50 -1.72 0.00 0.00 179.24 177.27 1v1j h TRP 65 N 0.59 0.60 -0.72 4.55 6.55 -0.48 -1.90 115.95 125.13 1v1j h TRP 65 Ca 0.24 -0.08 -0.04 0.00 0.95 0.00 0.00 58.89 59.96 1v1j h TRP 65 Cb 0.12 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 1v1j h TRP 65 CO -0.08 0.61 0.28 0.82 -1.05 0.00 0.00 178.44 179.02 1v1j h ILE 66 N 0.53 1.25 -0.97 1.49 2.04 -0.61 -0.65 117.51 120.59 1v1j h ILE 66 Ca 0.11 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1v1j h ILE 66 Cb 0.41 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1v1j h ILE 66 CO 0.02 0.32 0.63 0.45 0.00 0.00 0.00 178.15 179.57 1v1j h HIS 67 N 1.04 1.17 -0.53 1.37 3.86 -0.76 -2.10 115.15 119.21 1v1j h HIS 67 Ca 0.24 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 1v1j h HIS 67 Cb 0.23 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1v1j h HIS 67 CO 0.02 0.65 -0.11 1.49 0.86 0.00 0.00 177.93 180.83 1v1j h GLU 68 N 1.18 0.99 -0.26 2.45 4.81 -0.55 -2.72 114.58 120.48 1v1j h GLU 68 Ca 0.40 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1v1j h GLU 68 Cb 0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1v1j h GLU 68 CO -0.14 1.04 0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1v1j h ALA 69 N 0.98 1.52 -0.24 2.92 0.00 -0.49 -1.35 119.26 122.61 1v1j h ALA 69 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1v1j h ALA 69 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1v1j h ALA 69 CO 0.05 0.35 0.17 0.00 0.00 0.00 0.00 179.25 179.82 1v1j h ARG 70 N 0.38 0.02 0.00 0.00 3.08 -1.11 -1.52 114.38 115.23 1v1j h ARG 70 Ca 0.09 -0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.82 1v1j h ARG 70 Cb 0.25 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1v1j h ARG 70 CO 0.01 0.01 -2.21 1.28 -1.07 0.00 0.00 179.97 177.99 1v1j n LEU 71 N -4.47 0.15 -0.00 3.04 4.77 -0.58 -4.74 117.00 115.17 1v1j n LEU 71 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1v1j n LEU 71 Cb 0.31 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1v1j n LEU 71 CO 0.35 0.42 0.18 0.59 -1.33 0.00 0.00 177.39 177.60 1v1j n ASN 72 N -2.74 0.72 -4.39 -1.43 3.02 -0.76 -5.07 115.26 104.61 1v1j n ASN 72 Ca -0.27 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.22 1v1j n ASN 72 Cb 1.07 0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.29 1.82 -1.15 3.10 3.76 -0.60 -4.39 115.29 117.55 1v1j s HIS 73 Ca 0.00 -0.74 0.22 0.00 -0.15 0.00 0.00 55.06 54.39 1v1j s HIS 73 Cb 0.00 -1.02 0.02 0.00 1.11 0.00 0.00 32.58 32.68 1v1j s HIS 73 CO 0.00 0.21 1.08 0.00 -0.85 0.00 0.00 174.74 175.18 1v1j s GLY 75 N -2.92 -0.44 -0.05 0.00 0.00 -1.26 -4.48 107.32 98.17 1v1j s GLY 75 Ca 0.11 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.64 1v1j s GLY 75 CO 0.78 1.58 -0.09 -0.42 0.00 0.00 0.00 173.10 174.95 1v1j s ILE 76 N -2.03 0.88 -0.20 0.90 1.01 -0.11 -2.18 121.20 119.47 1v1j s ILE 76 Ca 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1v1j s ILE 76 Cb 0.06 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1v1j s ILE 76 CO -0.06 0.29 0.02 -0.69 0.00 0.00 0.00 174.94 174.51 1v1j s VAL 77 N 0.66 4.18 -0.04 2.92 1.01 -0.45 -1.05 120.40 127.62 1v1j s VAL 77 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1v1j s VAL 77 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1v1j s VAL 77 CO 0.02 0.42 -0.08 -0.51 0.00 0.00 0.00 175.10 174.95 1v1j s ILE 78 N 0.97 0.74 -0.55 2.22 2.07 0.72 -0.54 121.20 126.83 1v1j s ILE 78 Ca 0.02 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1v1j s ILE 78 Cb -0.14 -0.69 0.14 0.00 0.13 0.00 0.00 42.46 41.90 1v1j s ILE 78 CO 0.02 0.25 0.34 0.21 -1.91 0.00 0.00 174.94 173.86 1v1j s ASN 79 N 0.46 5.01 0.00 4.50 3.84 -0.03 -0.12 114.94 128.60 1v1j s ASN 79 Ca -0.07 -2.73 0.27 0.00 0.21 0.00 0.00 52.86 50.53 1v1j s ASN 79 Cb -0.11 -1.79 1.44 0.00 -0.55 0.00 0.00 41.25 40.23 1v1j s ASN 79 CO 0.01 -0.36 1.94 -2.65 -2.79 0.00 0.00 177.10 173.24 1v1j n PRO 80 N 3.60 0.52 0.00 0.43 -0.02 -1.26 0.04 135.00 138.31 1v1j n PRO 80 Ca 0.06 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 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 -1.21 0.00 -0.01 3.55 0.00 -1.26 -2.37 120.51 119.21 1v1j n ALA 81 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1v1j n ALA 81 Cb 0.18 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.43 1.82 0.00 0.00 0.00 -1.93 0.12 119.26 118.84 1v1j h ALA 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 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 0.13 0.00 1.88 0.00 0.00 0.00 179.25 181.26 1v1j h TYR 83 N 0.48 0.00 -0.98 0.00 0.99 -1.86 -2.24 116.97 113.36 1v1j h TYR 83 Ca 0.18 0.00 0.20 0.00 2.00 0.00 0.00 58.73 61.12 1v1j h TYR 83 Cb 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 37.77 1v1j h TYR 83 CO -0.00 0.00 0.62 0.77 -0.00 0.00 0.00 178.16 179.55 1v1j h SER 84 N 0.00 0.63 0.23 3.88 0.02 -0.79 -0.03 113.55 117.49 1v1j h SER 84 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1v1j h SER 84 Cb 0.20 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1v1j h SER 84 CO 0.00 0.22 -0.71 1.41 -1.14 0.00 0.00 176.83 176.61 1v1j n HIS 85 N -4.67 0.00 0.00 3.45 8.25 -0.84 -1.22 115.22 120.19 1v1j n HIS 85 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1v1j n HIS 85 Cb 0.65 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.37 0.00 -3.19 1.59 -2.24 -1.07 -4.84 114.28 103.15 1v1j n THR 86 Ca 0.05 -0.16 -0.45 0.00 -2.27 0.00 0.00 64.05 61.22 1v1j n THR 86 Cb 0.34 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.69 6.21 0.51 3.42 0.15 -0.05 -4.82 113.70 118.43 1v1j s SER 87 Ca 0.00 -1.62 0.29 0.00 0.70 0.00 0.00 55.95 55.32 1v1j s SER 87 Cb 0.00 -2.26 1.27 0.00 -1.71 0.00 0.00 66.02 63.31 1v1j s SER 87 CO 0.00 -1.00 1.96 0.58 1.20 0.00 0.00 173.24 175.98 1v1j h VAL 88 N 5.88 0.35 -0.47 4.45 2.07 -1.96 -3.24 116.25 123.35 1v1j h VAL 88 Ca -0.28 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1v1j h VAL 88 Cb 1.09 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1v1j h VAL 88 CO 1.07 0.12 -0.10 0.00 0.02 0.00 0.00 177.57 178.67 1v1j h ALA 89 N 1.88 0.93 -0.12 1.67 0.00 -1.96 -1.10 119.26 120.57 1v1j h ALA 89 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 1v1j h ALA 89 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1v1j h ALA 89 CO 0.02 0.62 -0.74 0.82 0.00 0.00 0.00 179.25 179.97 1v1j h ILE 90 N 0.77 1.33 0.15 0.00 2.04 -1.92 -1.75 117.51 118.13 1v1j h ILE 90 Ca 0.13 -2.05 0.01 0.00 1.00 0.00 0.00 64.86 63.95 1v1j h ILE 90 Cb 0.61 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1v1j h ILE 90 CO 0.04 0.63 -0.23 0.25 0.00 0.00 0.00 178.15 178.84 1v1j h LEU 91 N 0.40 -0.64 -1.64 1.44 5.85 -1.51 -0.88 115.31 118.34 1v1j h LEU 91 Ca -0.04 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1v1j h LEU 91 Cb 1.34 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1v1j h LEU 91 CO 0.14 -0.32 -0.10 0.44 -0.34 0.00 0.00 178.44 178.26 1v1j h ASP 92 N -0.45 0.10 -0.40 1.25 3.32 -1.15 -0.32 116.42 118.77 1v1j h ASP 92 Ca 0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1v1j h ASP 92 Cb 0.45 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1v1j h ASP 92 CO -0.11 0.21 -0.09 0.00 -1.72 0.00 0.00 179.24 177.54 1v1j h ALA 93 N 1.80 0.55 -0.02 3.45 0.00 -0.67 -2.66 119.26 121.69 1v1j h ALA 93 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1v1j h ALA 93 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1v1j h ALA 93 CO 0.01 0.41 -0.21 -0.07 0.00 0.00 0.00 179.25 179.40 1v1j h LEU 94 N 0.58 0.04 -1.14 0.00 3.38 -0.53 -1.56 115.31 116.08 1v1j h LEU 94 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1v1j h LEU 94 Cb 0.61 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1v1j h LEU 94 CO 0.04 0.25 0.00 0.78 0.09 0.00 0.00 178.44 179.60 1v1j h ASN 95 N 0.04 0.00 1.32 -0.43 -0.26 -0.73 -1.15 115.58 114.36 1v1j h ASN 95 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1v1j h ASN 95 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1v1j h ASN 95 CO 0.03 0.00 -0.09 0.35 -1.06 0.00 0.00 177.43 176.65 1v1j n THR 96 N -2.79 0.48 -1.56 2.81 -2.24 -0.59 -4.33 114.28 106.07 1v1j n THR 96 Ca 0.01 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1v1j n THR 96 Cb 0.29 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.18 6.49 0.00 0.00 1.01 -1.26 -1.85 116.67 123.24 1v1j s ASP 98 Ca 0.60 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.51 1v1j s ASP 98 Cb 0.16 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1v1j s ASP 98 CO -0.07 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 174.95 1v1j n GLY 99 N 4.21 1.95 3.71 0.21 0.00 -1.26 -4.97 105.19 109.04 1v1j n GLY 99 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 4.32 0.09 0.99 2.96 -0.77 -4.96 118.68 121.31 1v1j s LEU 100 Ca 0.00 1.23 -0.31 0.00 -0.22 0.00 0.00 54.13 54.83 1v1j s LEU 100 Cb 0.00 -3.13 -0.07 0.00 0.50 0.00 0.00 46.19 43.49 1v1j s LEU 100 CO 0.00 -0.13 1.32 -2.84 -1.32 0.00 0.00 176.35 173.38 1v1j s PRO 101 N 0.85 4.36 -0.10 0.98 0.02 -1.26 -4.92 135.00 134.93 1v1j s PRO 101 Ca 0.39 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1v1j s PRO 101 Cb -0.18 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1v1j s PRO 101 CO 0.19 -0.37 -0.18 0.08 -0.33 0.00 0.00 177.00 176.38 1v1j s VAL 102 N 1.10 1.67 -0.11 3.83 1.01 -1.26 -0.94 120.40 125.70 1v1j s VAL 102 Ca 0.62 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1v1j s VAL 102 Cb -0.34 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1v1j s VAL 102 CO 0.30 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.97 1v1j s VAL 103 N 0.69 1.92 -0.10 2.92 1.01 -0.22 -0.61 120.40 126.02 1v1j s VAL 103 Ca -0.12 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1v1j s VAL 103 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1v1j s VAL 103 CO 0.03 0.53 0.49 -0.70 0.00 0.00 0.00 175.10 175.44 1v1j s GLU 104 N 0.60 4.30 -0.03 2.72 2.12 -0.28 -0.20 118.70 127.93 1v1j s GLU 104 Ca -0.13 0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.72 1v1j s GLU 104 Cb -0.17 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1v1j s GLU 104 CO 0.04 0.22 -0.15 0.08 -0.54 0.00 0.00 175.26 174.91 1v1j s VAL 105 N 0.40 1.23 -0.08 3.70 1.01 0.83 -1.12 120.40 126.37 1v1j s VAL 105 Ca 0.27 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1v1j s VAL 105 Cb -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1v1j s VAL 105 CO 0.11 0.36 -0.16 -1.00 0.00 0.00 0.00 175.10 174.41 1v1j s HIS 106 N 0.03 1.86 0.05 5.22 3.76 0.60 -4.10 115.29 122.72 1v1j s HIS 106 Ca -0.02 -0.73 -0.20 0.00 -0.15 0.00 0.00 55.06 53.95 1v1j s HIS 106 Cb -0.10 -1.31 -0.12 0.00 1.11 0.00 0.00 32.58 32.16 1v1j s HIS 106 CO 0.01 -0.34 1.42 0.82 -0.85 0.00 0.00 174.74 175.81 1v1j h ILE 107 N 5.88 1.30 -3.46 0.60 2.04 -1.86 -1.63 117.51 120.38 1v1j h ILE 107 Ca -0.27 -1.08 -0.47 0.00 1.00 0.00 0.00 64.86 64.04 1v1j h ILE 107 Cb 1.20 1.65 0.05 0.00 -0.74 0.00 0.00 36.82 38.99 1v1j h ILE 107 CO 0.47 0.32 0.12 -0.94 0.00 0.00 0.00 178.15 178.13 1v1j s SER 108 N -5.98 5.60 -0.65 1.72 1.04 -1.26 -2.34 113.70 111.84 1v1j s SER 108 Ca -0.14 0.61 -0.20 0.00 0.48 0.00 0.00 55.95 56.70 1v1j s SER 108 Cb 0.06 -1.63 0.10 0.00 0.10 0.00 0.00 66.02 64.65 1v1j s SER 108 CO 0.74 -1.01 0.82 0.21 0.98 0.00 0.00 173.24 174.98 1v1j s ASN 109 N -4.30 6.24 0.62 7.02 3.84 -1.26 -2.20 114.94 124.89 1v1j s ASN 109 Ca 0.53 -1.40 0.39 0.00 0.21 0.00 0.00 52.86 52.58 1v1j s ASN 109 Cb -0.10 -2.34 2.02 0.00 -0.55 0.00 0.00 41.25 40.27 1v1j s ASN 109 CO 0.44 -1.19 2.24 0.16 -2.79 0.00 0.00 177.10 175.96 1v1j h ILE 110 N 5.89 0.13 0.00 -5.21 3.07 -1.93 -1.70 117.51 117.77 1v1j h ILE 110 Ca -0.24 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1v1j h ILE 110 Cb 1.07 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1v1j h ILE 110 CO 1.11 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 179.64 1v1j n HIS 111 N -3.24 0.00 -0.12 0.16 8.25 -1.26 -1.78 115.22 117.22 1v1j n HIS 111 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 1v1j n HIS 111 Cb 0.14 -0.40 0.22 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.40 2.59 0.00 -0.41 6.02 -0.64 -4.98 117.38 118.57 1v1j n GLN 112 Ca 0.10 -2.28 0.00 0.00 -0.01 0.00 0.00 57.00 54.81 1v1j n GLN 112 Cb 0.27 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 1.15 3.72 -1.74 -1.09 1.74 -0.74 -5.05 116.66 114.65 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 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.99 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 1.97 -0.29 5.56 4.71 -1.26 -4.89 120.64 126.44 1v1j n GLU 114 Ca 0.00 0.71 0.24 0.00 -0.01 0.00 0.00 57.16 58.10 1v1j n GLU 114 Cb 0.00 -2.55 0.55 0.00 -1.01 0.00 0.00 31.44 28.43 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 1.92 0.32 0.00 3.49 0.11 -1.97 0.98 132.00 136.86 1v1j h PRO 115 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v1j h PRO 115 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1v1j h PRO 115 CO 0.59 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 1v1j h PHE 116 N 0.33 0.00 -0.00 0.65 -5.15 -1.97 -1.55 116.94 109.24 1v1j h PHE 116 Ca 0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.32 1v1j h PHE 116 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.70 1v1j h PHE 116 CO -0.00 0.00 -0.25 0.54 -2.00 0.00 0.00 178.31 176.60 1v1j n ARG 117 N -2.31 0.31 0.24 6.09 1.74 0.34 -4.01 116.66 119.04 1v1j n ARG 117 Ca 0.02 -0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.09 1v1j n ARG 117 Cb 0.25 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.32 0.00 -3.35 -1.55 3.86 -1.31 -3.44 115.15 109.68 1v1j h HIS 118 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1v1j h HIS 118 Cb 0.46 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.75 1v1j h HIS 118 CO 0.00 0.17 -0.64 -1.58 0.86 0.00 0.00 177.93 176.73 1v1j s HIS 119 N -3.72 3.08 -0.09 2.45 5.65 -1.26 -4.95 115.29 116.45 1v1j s HIS 119 Ca 0.00 -0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.27 1v1j s HIS 119 Cb 0.10 -1.89 0.01 0.00 -1.18 0.00 0.00 32.58 29.63 1v1j s HIS 119 CO 0.61 0.19 -0.14 0.45 -0.65 0.00 0.00 174.74 175.20 1v1j s SER 120 N -0.17 2.25 0.33 9.88 0.15 -1.26 -4.21 113.70 120.66 1v1j s SER 120 Ca 0.04 -0.38 0.06 0.00 0.70 0.00 0.00 55.95 56.37 1v1j s SER 120 Cb -0.13 -1.01 0.58 0.00 -1.71 0.00 0.00 66.02 63.75 1v1j s SER 120 CO 0.02 0.02 1.81 1.88 1.20 0.00 0.00 173.24 178.17 1v1j h TYR 121 N 7.29 0.39 0.00 3.44 -1.99 -1.49 -2.82 116.97 121.79 1v1j h TYR 121 Ca -0.30 -0.07 -0.08 0.00 2.00 0.00 0.00 58.73 60.28 1v1j h TYR 121 Cb 1.18 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.80 1v1j h TYR 121 CO 0.48 0.54 -0.38 0.28 -0.00 0.00 0.00 178.16 179.08 1v1j h VAL 122 N 0.33 1.25 0.00 -2.88 2.07 -1.88 -2.85 116.25 112.29 1v1j h VAL 122 Ca 0.06 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1v1j h VAL 122 Cb 0.54 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1v1j h VAL 122 CO 0.04 0.37 -0.01 0.28 0.02 0.00 0.00 177.57 178.27 1v1j h SER 123 N 0.00 0.00 0.43 0.57 0.02 -1.86 -0.47 113.55 112.23 1v1j h SER 123 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1v1j h SER 123 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1v1j h SER 123 CO 0.05 0.01 -0.30 1.56 -1.14 0.00 0.00 176.83 177.01 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.66 -3.30 115.11 117.81 1v1j h GLN 124 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1v1j h GLN 124 Cb 0.03 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1v1j h GLN 124 CO 0.00 0.30 -2.30 -2.13 -0.67 0.00 0.00 178.83 174.03 1v1j n ARG 125 N -3.93 0.86 -1.80 1.46 3.00 -0.64 -5.02 116.66 110.59 1v1j n ARG 125 Ca -0.02 0.02 -0.41 0.00 -0.00 0.00 0.00 57.85 57.45 1v1j n ARG 125 Cb 0.37 -1.48 0.01 0.00 0.00 0.00 0.00 32.46 31.36 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 -2.46 3.44 0.07 5.13 0.00 -0.28 -4.90 121.76 122.77 1v1j s ALA 126 Ca -0.14 1.54 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 1v1j s ALA 126 Cb 0.06 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1v1j s ALA 126 CO 0.72 -1.12 1.46 -0.44 0.00 0.00 0.00 175.76 176.39 1v1j h ASP 127 N 2.73 0.42 -4.44 0.00 3.32 -1.21 -3.45 116.42 113.79 1v1j h ASP 127 Ca -0.51 -0.37 -0.32 0.00 0.02 0.00 0.00 57.03 55.85 1v1j h ASP 127 Cb 1.25 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 1v1j h ASP 127 CO 0.63 0.69 -0.74 -0.83 -1.72 0.00 0.00 179.24 177.27 1v1j s GLY 128 N -3.24 0.81 -0.05 2.75 0.00 -1.19 -5.06 107.32 101.34 1v1j s GLY 128 Ca -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1v1j s GLY 128 CO 0.75 -1.19 -0.04 0.14 0.00 0.00 0.00 173.10 172.76 1v1j s VAL 129 N -2.25 0.52 -0.10 1.40 1.01 -1.26 -1.12 120.40 118.60 1v1j s VAL 129 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1v1j s VAL 129 Cb -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1v1j s VAL 129 CO 0.00 0.24 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 1v1j s VAL 130 N 1.13 1.60 0.00 2.92 1.01 -0.27 -4.99 120.40 121.80 1v1j s VAL 130 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1v1j s VAL 130 Cb -0.14 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1v1j s VAL 130 CO -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.50 1v1j s ALA 131 N 0.83 0.40 -1.00 5.51 0.00 -1.26 -0.29 121.76 125.94 1v1j s ALA 131 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1v1j s ALA 131 Cb -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1v1j s ALA 131 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1v1j n GLY 132 N 2.72 1.11 2.01 0.00 0.00 -0.61 -4.80 105.19 105.62 1v1j n GLY 132 Ca -0.14 -0.60 -0.06 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 -0.12 0.83 0.17 0.00 0.00 -0.99 -2.60 105.19 102.48 1v1j n GLY 134 Ca 0.40 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.05 1.61 -1.51 -1.88 -2.02 116.25 112.40 1v1j h VAL 135 Ca 0.00 -0.21 0.02 0.00 -1.23 0.00 0.00 66.70 65.28 1v1j h VAL 135 Cb 0.00 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1v1j h VAL 135 CO 0.00 0.00 0.04 -0.61 -1.23 0.00 0.00 177.57 175.77 1v1j h GLN 136 N 0.00 0.00 -0.53 5.19 4.15 -1.94 -1.80 115.11 120.17 1v1j h GLN 136 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 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 0.36 0.78 -1.93 0.00 0.00 178.83 178.04 1v1j h GLY 137 N 0.00 0.55 1.23 2.39 0.00 -1.10 0.10 103.07 106.24 1v1j h GLY 137 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1v1j h GLY 137 CO -0.00 0.13 0.43 -0.97 0.00 0.00 0.00 176.54 176.12 1v1j h TYR 138 N 0.43 0.73 -0.31 5.60 -1.99 -1.53 -0.57 116.97 119.32 1v1j h TYR 138 Ca 0.24 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.88 1v1j h TYR 138 Cb 0.37 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1v1j h TYR 138 CO -0.00 0.42 -0.22 0.28 -0.00 0.00 0.00 178.16 178.64 1v1j h VAL 139 N 0.75 1.30 -0.60 -2.88 2.07 -0.93 -1.95 116.25 114.00 1v1j h VAL 139 Ca 0.26 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.49 1v1j h VAL 139 Cb 0.11 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1v1j h VAL 139 CO -0.07 0.44 0.27 -0.26 0.02 0.00 0.00 177.57 177.97 1v1j h PHE 140 N 0.46 0.49 -0.68 1.57 0.05 -1.16 -0.84 116.94 116.84 1v1j h PHE 140 Ca 0.06 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.90 1v1j h PHE 140 Cb 0.77 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.55 1v1j h PHE 140 CO 0.07 0.19 0.43 0.78 -0.18 0.00 0.00 178.31 179.60 1v1j h GLY 141 N 0.51 0.97 1.16 -1.45 0.00 -0.81 0.52 103.07 103.97 1v1j h GLY 141 Ca 0.28 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1v1j h GLY 141 CO -0.23 0.29 0.10 -2.08 0.00 0.00 0.00 176.54 174.62 1v1j h VAL 142 N 0.85 1.26 -0.41 4.60 2.07 -0.74 -2.05 116.25 121.83 1v1j h VAL 142 Ca 0.27 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1v1j h VAL 142 Cb -0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1v1j h VAL 142 CO -0.09 0.37 -0.17 -0.08 0.02 0.00 0.00 177.57 177.62 1v1j h GLU 143 N 0.97 0.77 -0.37 1.57 4.57 -0.64 -0.53 114.58 120.93 1v1j h GLU 143 Ca 0.19 -0.29 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 1v1j h GLU 143 Cb 0.41 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1v1j h GLU 143 CO 0.01 0.89 -0.40 -0.09 -1.18 0.00 0.00 179.01 178.25 1v1j h ARG 144 N 0.69 0.90 -0.83 1.92 9.65 -0.74 -2.60 114.38 123.36 1v1j h ARG 144 Ca 0.10 -0.48 -0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1v1j h ARG 144 Cb 0.67 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.23 1v1j h ARG 144 CO 0.05 1.13 0.51 0.82 2.80 0.00 0.00 179.97 185.28 1v1j h ILE 145 N 0.73 1.23 -0.68 1.20 1.08 -1.11 -0.57 117.51 119.40 1v1j h ILE 145 Ca 0.06 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1v1j h ILE 145 Cb 0.99 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1v1j h ILE 145 CO 0.10 0.24 0.45 0.00 -0.69 0.00 0.00 178.15 178.24 1v1j h ALA 146 N 1.28 1.52 0.00 1.87 0.00 -0.98 0.36 119.26 123.31 1v1j h ALA 146 Ca 0.30 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1v1j h ALA 146 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1v1j h ALA 146 CO -0.06 0.44 -0.85 0.00 0.00 0.00 0.00 179.25 178.78 1v1j h ALA 147 N 1.58 0.47 0.16 0.00 0.00 -1.01 -1.68 119.26 118.79 1v1j h ALA 147 Ca 0.25 -0.77 -0.32 0.00 0.00 0.00 0.00 54.91 54.06 1v1j h ALA 147 Cb -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1v1j h ALA 147 CO -0.05 1.06 -1.57 -0.07 0.00 0.00 0.00 179.25 178.62 1v1j h LEU 148 N 0.00 0.53 -0.50 0.00 3.38 -0.47 -3.32 115.31 114.93 1v1j h LEU 148 Ca -0.01 -0.71 -0.16 0.00 0.09 0.00 0.00 57.88 57.09 1v1j h LEU 148 Cb 1.62 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1v1j h LEU 148 CO 0.11 1.58 -0.52 0.00 0.09 0.00 0.00 178.44 179.71 1v1j h ALA 149 N 0.34 0.68 0.00 1.53 0.00 -0.37 -3.50 119.26 117.94 1v1j h ALA 149 Ca -0.27 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1v1j h ALA 149 Cb 2.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1v1j h ALA 149 CO 0.19 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.53