#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 3.44 0.41 0.54 0.52 -1.26 -5.12 118.95 117.48 1v1j s ARG 2 Ca 0.00 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 1v1j s ARG 2 Cb 0.00 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.48 1v1j s ARG 2 CO 0.00 0.54 0.48 -1.54 0.02 0.00 0.00 175.30 174.81 1v1j s SER 3 N -3.03 5.48 0.66 0.23 1.04 -1.26 -4.74 113.70 112.09 1v1j s SER 3 Ca 0.35 -0.50 0.35 0.00 0.48 0.00 0.00 55.95 56.63 1v1j s SER 3 Cb -0.12 -0.71 1.91 0.00 0.10 0.00 0.00 66.02 67.21 1v1j s SER 3 CO 0.28 -0.67 2.09 -0.07 0.98 0.00 0.00 173.24 175.85 1v1j h LEU 4 N 0.82 0.00 0.00 2.42 4.07 -1.86 -1.45 115.31 119.31 1v1j h LEU 4 Ca -0.41 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.42 1v1j h LEU 4 Cb 1.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 1v1j h LEU 4 CO 0.50 0.00 -1.24 0.00 -1.08 0.00 0.00 178.44 176.63 1v1j h ALA 5 N 1.60 0.63 0.00 1.53 0.00 -1.92 -3.36 119.26 117.73 1v1j h ALA 5 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1v1j h ALA 5 Cb 0.43 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1v1j h ALA 5 CO -0.00 0.70 -1.21 0.09 0.00 0.00 0.00 179.25 178.84 1v1j n ASN 6 N -2.88 0.57 -3.58 0.00 3.02 -0.58 -4.97 115.26 106.82 1v1j n ASN 6 Ca -0.07 -0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 1v1j n ASN 6 Cb 0.77 0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 40.80 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 -3.31 -1.78 0.83 5.41 0.00 -0.98 -4.93 121.76 116.98 1v1j s ALA 7 Ca 0.00 1.72 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1v1j s ALA 7 Cb 0.13 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1v1j s ALA 7 CO 0.82 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 176.08 1v1j s PRO 8 N -0.30 1.84 -0.11 0.00 0.04 -1.26 -4.31 135.00 130.90 1v1j s PRO 8 Ca -0.05 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 1v1j s PRO 8 Cb -0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1v1j s PRO 8 CO 0.05 -1.79 0.58 0.42 0.04 0.00 0.00 177.00 176.29 1v1j s ILE 9 N -3.12 5.12 -0.09 0.56 1.01 0.06 -1.16 121.20 123.58 1v1j s ILE 9 Ca 0.62 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 62.19 1v1j s ILE 9 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1v1j s ILE 9 CO 0.55 0.27 0.67 -0.32 0.00 0.00 0.00 174.94 176.11 1v1j s MET 10 N 0.86 4.40 -0.27 2.79 -2.45 -0.68 -1.01 119.30 122.94 1v1j s MET 10 Ca 0.30 0.80 -0.00 0.00 -1.25 0.00 0.00 55.69 55.55 1v1j s MET 10 Cb -0.16 -3.46 0.04 0.00 1.25 0.00 0.00 34.83 32.50 1v1j s MET 10 CO 0.13 0.04 -0.06 0.42 1.05 0.00 0.00 175.02 176.60 1v1j s ILE 11 N 0.91 2.66 -0.11 10.11 -1.09 0.32 -1.25 121.20 132.76 1v1j s ILE 11 Ca 0.35 -1.33 -0.04 0.00 -2.23 0.00 0.00 60.65 57.40 1v1j s ILE 11 Cb -0.17 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1v1j s ILE 11 CO 0.16 0.04 0.06 -0.76 -1.23 0.00 0.00 174.94 173.21 1v1j s LEU 12 N 1.23 3.92 -0.05 2.97 1.43 0.22 -1.44 118.68 126.96 1v1j s LEU 12 Ca -0.04 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1v1j s LEU 12 Cb -0.19 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1v1j s LEU 12 CO -0.04 0.37 -0.18 0.20 0.23 0.00 0.00 176.35 176.94 1v1j s ASN 13 N -0.84 2.24 0.19 2.29 0.01 -0.22 -1.10 114.94 117.51 1v1j s ASN 13 Ca 0.13 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1v1j s ASN 13 Cb -0.12 -0.64 0.00 0.00 0.41 0.00 0.00 41.25 40.90 1v1j s ASN 13 CO 0.03 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1v1j n GLY 14 N 3.15 0.23 3.71 0.66 0.00 0.50 -1.74 105.19 111.71 1v1j n GLY 14 Ca -0.18 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 2.08 0.00 1.61 0.04 -0.86 -3.14 135.00 134.74 1v1j s PRO 15 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1v1j s PRO 15 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1v1j s PRO 15 CO 0.00 -1.91 0.00 0.09 0.04 0.00 0.00 177.00 175.22 1v1j n ASN 16 N -2.64 0.00 0.18 6.66 3.02 -1.26 -4.61 115.26 116.62 1v1j n ASN 16 Ca 0.15 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1v1j n ASN 16 Cb 0.49 -1.93 0.44 0.00 -0.61 0.00 0.00 39.78 38.17 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 -2.47 3.41 3.38 -1.90 -2.47 115.31 115.26 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 0.11 -0.55 0.09 0.00 0.00 178.44 178.09 1v1j h ASN 18 N 0.00 0.00 -0.52 -0.43 -1.07 -1.87 -1.00 115.58 110.68 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 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 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 -3.51 3.43 -4.62 6.14 4.77 -0.93 -4.81 117.00 117.48 1v1j n LEU 19 Ca -0.01 -1.73 -0.46 0.00 -0.03 0.00 0.00 56.01 53.79 1v1j n LEU 19 Cb 0.20 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1v1j n LEU 19 CO 0.24 0.69 0.77 -0.11 -1.33 0.00 0.00 177.39 177.65 1v1j n LEU 20 N 0.95 2.30 0.00 2.23 7.94 -0.38 -2.23 117.00 127.81 1v1j n LEU 20 Ca 0.19 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1v1j n LEU 20 Cb 0.61 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1v1j n LEU 20 CO 0.16 -1.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.04 1v1j n GLY 21 N 1.64 0.63 0.00 -3.96 0.00 -1.04 -4.17 105.19 98.29 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 -2.73 -0.32 -3.55 1.61 6.02 -0.95 -4.75 117.38 112.71 1v1j n GLN 22 Ca 0.00 -0.47 -0.16 0.00 -0.01 0.00 0.00 57.00 56.36 1v1j n GLN 22 Cb 0.00 -0.85 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.10 0.93 -1.33 -1.09 3.03 -1.26 -4.98 118.95 114.15 1v1j s ARG 23 Ca 0.00 0.35 -0.10 0.00 2.03 0.00 0.00 55.73 58.00 1v1j s ARG 23 Cb 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 34.95 34.37 1v1j s ARG 23 CO 0.00 -0.27 0.49 1.04 -1.13 0.00 0.00 175.30 175.43 1v1j n GLN 24 N 1.15 -1.99 -0.34 3.89 6.02 -1.26 -4.68 117.38 120.18 1v1j n GLN 24 Ca -0.17 0.32 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1v1j n GLN 24 Cb 0.57 -3.99 0.09 0.00 1.02 0.00 0.00 30.24 27.93 1v1j n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1v1j h PRO 25 N -1.97 1.26 -0.14 -1.09 0.13 -1.94 0.26 132.00 128.51 1v1j h PRO 25 Ca -0.66 -0.13 0.04 0.00 -0.87 0.00 0.00 66.00 64.38 1v1j h PRO 25 Cb 1.38 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1v1j h PRO 25 CO 0.59 0.91 0.24 0.93 -0.23 0.00 0.00 178.00 180.44 1v1j h GLU 26 N 1.27 0.00 0.00 0.86 3.07 -1.88 1.70 114.58 119.60 1v1j h GLU 26 Ca 0.32 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.75 1v1j h GLU 26 Cb -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1v1j h GLU 26 CO -0.06 0.00 -2.45 -0.89 -1.40 0.00 0.00 179.01 174.22 1v1j n ILE 27 N -3.43 1.53 0.56 3.13 5.41 -0.32 -4.71 119.36 121.54 1v1j n ILE 27 Ca 0.01 -0.41 0.07 0.00 1.00 0.00 0.00 62.75 63.42 1v1j n ILE 27 Cb 0.35 -1.79 -0.09 0.00 -0.71 0.00 0.00 39.64 37.40 1v1j n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1v1j n TYR 28 N -4.04 0.00 -0.58 1.39 4.02 0.75 -4.42 117.16 114.28 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 0.90 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 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 1.40 -2.91 0.39 2.72 0.00 0.58 -4.73 105.19 102.64 1v1j n GLY 29 Ca 0.02 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.07 2.45 -4.81 1.61 3.41 -1.26 -4.04 113.62 110.90 1v1j n SER 30 Ca 0.00 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 1v1j n SER 30 Cb 0.00 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 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 6.81 0.54 4.04 1.01 -1.26 -4.71 116.67 122.16 1v1j s ASP 31 Ca 0.14 1.77 0.07 0.00 0.71 0.00 0.00 52.55 55.24 1v1j s ASP 31 Cb 0.08 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1v1j s ASP 31 CO 0.10 -0.45 0.74 0.42 0.21 0.00 0.00 175.17 176.19 1v1j s THR 32 N -2.08 2.47 0.30 -1.27 -4.23 -1.26 -2.51 115.64 107.06 1v1j s THR 32 Ca 0.62 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1v1j s THR 32 Cb -0.12 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.34 1v1j s THR 32 CO 0.16 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.34 1v1j h LEU 33 N 0.24 0.71 -1.30 4.79 5.85 -1.84 -0.71 115.31 123.05 1v1j h LEU 33 Ca -0.35 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1v1j h LEU 33 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1v1j h LEU 33 CO 0.43 0.70 0.22 0.00 -0.34 0.00 0.00 178.44 179.45 1v1j h ALA 34 N 1.40 1.45 -0.45 1.25 0.00 -1.94 -0.09 119.26 120.88 1v1j h ALA 34 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1v1j h ALA 34 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1v1j h ALA 34 CO -0.00 0.43 -0.02 -0.44 0.00 0.00 0.00 179.25 179.21 1v1j h ASP 35 N 0.70 0.72 -0.18 0.00 3.32 -1.55 -1.70 116.42 117.72 1v1j h ASP 35 Ca 0.17 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1v1j h ASP 35 Cb 0.11 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1v1j h ASP 35 CO -0.02 0.80 -0.10 0.58 -1.72 0.00 0.00 179.24 178.77 1v1j h VAL 36 N 0.69 1.31 -0.63 -1.35 2.07 -0.30 -2.05 116.25 116.00 1v1j h VAL 36 Ca 0.13 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.55 1v1j h VAL 36 Cb 0.46 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1v1j h VAL 36 CO 0.02 0.35 0.29 -0.08 0.02 0.00 0.00 177.57 178.18 1v1j h GLU 37 N 0.08 0.51 -0.36 1.57 4.81 -0.69 0.67 114.58 121.17 1v1j h GLU 37 Ca 0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1v1j h GLU 37 Cb 0.60 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1v1j h GLU 37 CO 0.03 0.34 0.08 0.00 -0.73 0.00 0.00 179.01 178.73 1v1j h ALA 38 N 1.38 1.47 -0.58 2.92 0.00 -1.11 0.23 119.26 123.58 1v1j h ALA 38 Ca 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1v1j h ALA 38 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1v1j h ALA 38 CO -0.25 0.39 0.07 -0.07 0.00 0.00 0.00 179.25 179.40 1v1j h LEU 39 N 0.52 0.95 -0.64 0.00 3.38 -0.23 -2.21 115.31 117.07 1v1j h LEU 39 Ca 0.12 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1v1j h LEU 39 Cb 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1v1j h LEU 39 CO -0.00 0.98 -0.41 0.00 0.09 0.00 0.00 178.44 179.10 1v1j h VAL 41 N 0.49 1.20 -0.21 0.00 2.07 -0.37 -1.16 116.25 118.28 1v1j h VAL 41 Ca 0.04 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1v1j h VAL 41 Cb 0.92 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1v1j h VAL 41 CO 0.08 0.23 0.05 0.50 0.02 0.00 0.00 177.57 178.45 1v1j h LYS 42 N 0.72 0.33 -0.65 1.57 3.64 -1.28 -1.10 116.57 119.81 1v1j h LYS 42 Ca 0.18 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1v1j h LYS 42 Cb 0.13 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1v1j h LYS 42 CO -0.02 0.46 0.35 0.00 -2.27 0.00 0.00 179.45 177.97 1v1j h ALA 43 N 0.86 1.39 -0.00 5.00 0.00 -1.08 -2.57 119.26 122.86 1v1j h ALA 43 Ca 0.06 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1v1j h ALA 43 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1v1j h ALA 43 CO 0.00 0.50 -0.87 0.00 0.00 0.00 0.00 179.25 178.88 1v1j h ALA 44 N 1.48 0.51 -0.26 0.00 0.00 -0.98 -3.18 119.26 116.83 1v1j h ALA 44 Ca 0.23 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1v1j h ALA 44 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1v1j h ALA 44 CO -0.04 0.88 -0.15 0.00 0.00 0.00 0.00 179.25 179.95 1v1j h ALA 45 N 0.94 1.28 -0.03 0.00 0.00 -0.82 0.86 119.26 121.48 1v1j h ALA 45 Ca -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1v1j h ALA 45 Cb 1.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1v1j h ALA 45 CO 0.14 0.48 0.06 0.00 0.00 0.00 0.00 179.25 179.93 1v1j h ALA 46 N 1.45 1.32 -0.09 0.00 0.00 -1.46 0.45 119.26 120.92 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 -0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.92 1v1j n HIS 47 N -3.41 0.10 -0.24 0.00 8.25 -0.20 -4.95 115.22 114.78 1v1j n HIS 47 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1v1j n HIS 47 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.96 0.86 1.80 -1.41 0.00 0.15 -4.94 105.19 102.61 1v1j n GLY 48 Ca 0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.24 3.81 3.28 -0.02 0.00 0.12 -4.56 105.19 105.59 1v1j n GLY 49 Ca 0.00 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.86 0.40 0.16 2.61 -4.23 -1.26 -3.51 115.64 107.95 1v1j s THR 50 Ca 0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1v1j s THR 50 Cb -0.00 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 1v1j s THR 50 CO 0.01 0.00 -0.09 0.68 -0.54 0.00 0.00 174.62 174.67 1v1j s VAL 51 N -3.87 1.18 -0.21 2.29 -7.23 -1.26 -0.76 120.40 110.54 1v1j s VAL 51 Ca 0.38 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1v1j s VAL 51 Cb 0.08 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 35.18 1v1j s VAL 51 CO 0.13 -0.70 0.04 -0.62 -0.31 0.00 0.00 175.10 173.65 1v1j s ASP 52 N -3.19 3.02 -0.20 4.85 -1.08 -0.18 -4.87 116.67 115.02 1v1j s ASP 52 Ca 0.18 -0.90 -0.04 0.00 -0.52 0.00 0.00 52.55 51.27 1v1j s ASP 52 Cb 0.03 -0.60 -0.02 0.00 -1.46 0.00 0.00 42.92 40.87 1v1j s ASP 52 CO 0.02 -0.32 -0.02 0.12 0.52 0.00 0.00 175.17 175.48 1v1j s PHE 53 N 1.85 2.99 0.04 -5.34 5.36 -1.26 -0.52 117.98 121.10 1v1j s PHE 53 Ca 0.00 -0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 55.33 1v1j s PHE 53 Cb -0.17 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 1v1j s PHE 53 CO -0.10 -0.35 -0.03 1.03 -1.46 0.00 0.00 175.22 174.31 1v1j s ARG 54 N 1.15 0.48 -0.01 10.12 0.52 -0.52 -4.97 118.95 125.72 1v1j s ARG 54 Ca 0.02 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1v1j s ARG 54 Cb -0.15 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.49 1v1j s ARG 54 CO 0.00 -0.09 -0.04 -1.14 0.02 0.00 0.00 175.30 174.06 1v1j s GLN 55 N -2.86 0.35 0.06 3.54 -0.44 -1.26 -1.05 119.66 117.99 1v1j s GLN 55 Ca -0.03 -0.11 -0.09 0.00 -2.50 0.00 0.00 55.36 52.62 1v1j s GLN 55 Cb 0.00 -0.36 0.00 0.00 -1.64 0.00 0.00 33.01 31.01 1v1j s GLN 55 CO -0.06 0.05 0.19 0.45 0.50 0.00 0.00 175.29 176.42 1v1j s SER 56 N 0.09 0.06 0.00 6.67 0.15 -0.71 -4.97 113.70 115.00 1v1j s SER 56 Ca -0.01 -0.47 0.24 0.00 0.70 0.00 0.00 55.95 56.41 1v1j s SER 56 Cb -0.04 0.31 0.14 0.00 -1.71 0.00 0.00 66.02 64.72 1v1j s SER 56 CO -0.00 -0.62 1.21 0.59 1.20 0.00 0.00 173.24 175.61 1v1j n ASN 57 N 0.40 2.46 -4.45 5.45 3.02 -1.26 -2.02 115.26 118.86 1v1j n ASN 57 Ca -0.17 -1.73 -0.36 0.00 -0.03 0.00 0.00 54.58 52.29 1v1j n ASN 57 Cb 0.60 0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.23 3.07 0.18 3.10 3.76 -1.26 -4.74 115.29 117.17 1v1j s HIS 58 Ca 0.24 -0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 1v1j s HIS 58 Cb 0.19 -2.16 0.16 0.00 1.11 0.00 0.00 32.58 31.88 1v1j s HIS 58 CO 0.43 -0.30 1.78 1.49 -0.85 0.00 0.00 174.74 177.30 1v1j h GLU 59 N 7.84 0.49 -0.12 1.40 4.81 -2.00 -1.79 114.58 125.21 1v1j h GLU 59 Ca -0.38 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1v1j h GLU 59 Cb 1.17 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1v1j h GLU 59 CO 0.60 0.32 -0.17 0.78 -0.73 0.00 0.00 179.01 179.81 1v1j h GLY 60 N 0.50 0.20 1.52 1.92 0.00 -1.99 -1.05 103.07 104.17 1v1j h GLY 60 Ca 0.24 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.25 1v1j h GLY 60 CO -0.17 0.12 -0.73 -2.09 0.00 0.00 0.00 176.54 173.66 1v1j h GLU 61 N 0.18 0.48 -0.65 4.80 4.81 -1.84 -0.69 114.58 121.67 1v1j h GLU 61 Ca 0.03 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1v1j h GLU 61 Cb 0.42 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1v1j h GLU 61 CO 0.03 1.02 0.23 -0.07 -0.73 0.00 0.00 179.01 179.48 1v1j h LEU 62 N 0.33 0.90 -0.36 1.64 3.38 -0.60 -0.39 115.31 120.21 1v1j h LEU 62 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1v1j h LEU 62 Cb 1.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1v1j h LEU 62 CO 0.13 0.83 0.19 0.58 0.09 0.00 0.00 178.44 180.26 1v1j h VAL 63 N 0.95 1.15 -0.94 1.22 2.07 -0.77 -1.12 116.25 118.81 1v1j h VAL 63 Ca 0.22 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1v1j h VAL 63 Cb 0.24 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1v1j h VAL 63 CO -0.01 0.16 0.62 0.44 0.02 0.00 0.00 177.57 178.79 1v1j h ASP 64 N 0.45 1.04 0.20 0.57 3.32 -0.74 -1.84 116.42 119.42 1v1j h ASP 64 Ca 0.13 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1v1j h ASP 64 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1v1j h ASP 64 CO -0.02 0.73 -0.43 -0.50 -1.72 0.00 0.00 179.24 177.30 1v1j h TRP 65 N 1.22 0.34 -0.56 4.55 6.55 -0.66 -1.70 115.95 125.69 1v1j h TRP 65 Ca 0.37 -0.10 -0.10 0.00 0.95 0.00 0.00 58.89 60.01 1v1j h TRP 65 Cb -0.04 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 1v1j h TRP 65 CO -0.01 0.68 -0.03 0.82 -1.05 0.00 0.00 178.44 178.85 1v1j h ILE 66 N 0.24 1.26 -0.41 1.49 2.04 -0.65 -0.20 117.51 121.29 1v1j h ILE 66 Ca 0.02 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1v1j h ILE 66 Cb 0.86 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1v1j h ILE 66 CO 0.07 0.41 0.24 0.45 0.00 0.00 0.00 178.15 179.33 1v1j h HIS 67 N 0.90 0.53 -0.25 1.37 3.86 -0.54 -1.95 115.15 119.06 1v1j h HIS 67 Ca 0.16 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.20 1v1j h HIS 67 Cb 0.57 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1v1j h HIS 67 CO 0.04 0.36 -0.52 1.49 0.86 0.00 0.00 177.93 180.15 1v1j h GLU 68 N 0.56 0.73 -0.15 2.45 4.81 -0.51 -2.86 114.58 119.62 1v1j h GLU 68 Ca 0.15 -0.45 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1v1j h GLU 68 Cb -0.02 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1v1j h GLU 68 CO -0.03 1.07 -0.13 0.00 -0.73 0.00 0.00 179.01 179.20 1v1j h ALA 69 N 0.84 1.51 -0.06 2.92 0.00 -0.29 -0.51 119.26 123.67 1v1j h ALA 69 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1v1j h ALA 69 Cb 1.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1v1j h ALA 69 CO 0.11 0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1v1j h ARG 70 N 0.23 0.00 0.00 0.00 3.08 -1.24 -1.54 114.38 114.91 1v1j h ARG 70 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.74 1v1j h ARG 70 Cb 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1v1j h ARG 70 CO 0.02 0.00 -2.32 1.28 -1.07 0.00 0.00 179.97 177.89 1v1j n LEU 71 N -4.32 0.09 -0.03 3.04 4.77 -0.29 -4.75 117.00 115.50 1v1j n LEU 71 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v1j n LEU 71 Cb 0.15 0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1v1j n LEU 71 CO 0.32 0.49 0.21 0.59 -1.33 0.00 0.00 177.39 177.67 1v1j n ASN 72 N -2.78 0.88 -4.38 -1.43 3.02 -0.65 -5.08 115.26 104.85 1v1j n ASN 72 Ca -0.31 -0.94 -0.19 0.00 -0.03 0.00 0.00 54.58 53.11 1v1j n ASN 72 Cb 1.15 0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 40.40 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 -0.27 1.74 -1.67 3.10 3.76 -0.60 -4.35 115.29 117.00 1v1j s HIS 73 Ca 0.01 -0.90 0.21 0.00 -0.15 0.00 0.00 55.06 54.22 1v1j s HIS 73 Cb 0.01 -1.05 -0.06 0.00 1.11 0.00 0.00 32.58 32.59 1v1j s HIS 73 CO 0.02 0.02 0.98 0.00 -0.85 0.00 0.00 174.74 174.91 1v1j n GLY 75 N 1.39 0.09 2.98 0.00 0.00 -1.26 -4.44 105.19 103.96 1v1j n GLY 75 Ca 0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 0.73 -0.19 -0.61 1.01 -0.45 -1.69 121.20 118.01 1v1j s ILE 76 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1v1j s ILE 76 Cb 0.00 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 1v1j s ILE 76 CO 0.00 0.23 -0.10 -0.69 0.00 0.00 0.00 174.94 174.39 1v1j s VAL 77 N 0.27 3.01 -0.06 2.92 1.01 -0.38 -0.98 120.40 126.18 1v1j s VAL 77 Ca -0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1v1j s VAL 77 Cb -0.09 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1v1j s VAL 77 CO 0.00 0.47 -0.09 -0.51 0.00 0.00 0.00 175.10 174.98 1v1j s ILE 78 N 1.19 0.87 -0.51 2.22 2.07 0.07 -0.61 121.20 126.50 1v1j s ILE 78 Ca 0.02 -0.32 -0.04 0.00 -1.41 0.00 0.00 60.65 58.89 1v1j s ILE 78 Cb -0.14 -0.83 0.13 0.00 0.13 0.00 0.00 42.46 41.75 1v1j s ILE 78 CO -0.03 0.30 0.33 0.21 -1.91 0.00 0.00 174.94 173.84 1v1j s ASN 79 N 0.80 5.39 0.00 4.50 3.84 -0.26 -0.75 114.94 128.46 1v1j s ASN 79 Ca -0.13 -2.33 0.29 0.00 0.21 0.00 0.00 52.86 50.91 1v1j s ASN 79 Cb -0.15 -1.89 1.58 0.00 -0.55 0.00 0.00 41.25 40.24 1v1j s ASN 79 CO 0.02 -0.51 2.04 -2.65 -2.79 0.00 0.00 177.10 173.21 1v1j n PRO 80 N 4.24 0.61 0.00 0.43 -0.02 -1.26 -0.37 135.00 138.63 1v1j n PRO 80 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 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 -1.17 0.00 0.26 3.55 0.00 -1.26 -1.97 120.51 119.91 1v1j n ALA 81 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 1v1j n ALA 81 Cb 0.18 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.47 1.78 0.00 0.00 0.00 -1.93 0.20 119.26 118.83 1v1j h ALA 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1v1j h ALA 82 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v1j h ALA 82 CO 0.00 0.08 0.00 1.88 0.00 0.00 0.00 179.25 181.21 1v1j h TYR 83 N 0.00 0.00 -1.01 0.00 0.99 -1.79 -2.38 116.97 112.79 1v1j h TYR 83 Ca -0.00 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.95 1v1j h TYR 83 Cb 0.12 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 37.74 1v1j h TYR 83 CO 0.00 0.00 0.61 0.77 -0.00 0.00 0.00 178.16 179.54 1v1j h SER 84 N 0.00 0.68 0.27 3.88 0.02 -0.62 0.01 113.55 117.79 1v1j h SER 84 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1v1j h SER 84 Cb 0.29 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1v1j h SER 84 CO 0.00 0.18 -0.60 1.41 -1.14 0.00 0.00 176.83 176.68 1v1j n HIS 85 N -4.78 0.00 0.00 3.45 8.25 -0.90 -1.11 115.22 120.13 1v1j n HIS 85 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1v1j n HIS 85 Cb 0.68 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.22 0.00 -3.29 1.59 -2.24 -0.97 -4.85 114.28 103.31 1v1j n THR 86 Ca 0.07 -0.08 -0.46 0.00 -2.27 0.00 0.00 64.05 61.31 1v1j n THR 86 Cb 0.35 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.96 6.19 0.51 3.42 0.15 -0.05 -4.82 113.70 118.14 1v1j s SER 87 Ca 0.00 -1.70 0.30 0.00 0.70 0.00 0.00 55.95 55.25 1v1j s SER 87 Cb 0.00 -2.22 1.14 0.00 -1.71 0.00 0.00 66.02 63.24 1v1j s SER 87 CO 0.00 -0.87 1.91 0.58 1.20 0.00 0.00 173.24 176.05 1v1j h VAL 88 N 5.88 0.19 -0.28 4.45 2.07 -1.95 -3.08 116.25 123.53 1v1j h VAL 88 Ca -0.30 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1v1j h VAL 88 Cb 1.10 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1v1j h VAL 88 CO 1.03 0.07 -0.24 0.00 0.02 0.00 0.00 177.57 178.46 1v1j h ALA 89 N 1.92 1.07 0.00 1.67 0.00 -1.97 -0.92 119.26 121.05 1v1j h ALA 89 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1v1j h ALA 89 Cb 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1v1j h ALA 89 CO 0.01 0.57 -0.92 0.82 0.00 0.00 0.00 179.25 179.72 1v1j h ILE 90 N 0.47 1.43 -0.30 0.00 2.04 -1.91 -1.50 117.51 117.74 1v1j h ILE 90 Ca 0.07 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.42 1v1j h ILE 90 Cb 0.67 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1v1j h ILE 90 CO 0.05 0.74 0.16 0.25 0.00 0.00 0.00 178.15 179.35 1v1j h LEU 91 N 0.19 0.38 -1.23 1.44 5.85 -1.47 -0.83 115.31 119.64 1v1j h LEU 91 Ca -0.07 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1v1j h LEU 91 Cb 1.56 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1v1j h LEU 91 CO 0.15 0.37 -0.32 0.44 -0.34 0.00 0.00 178.44 178.74 1v1j h ASP 92 N 0.36 0.11 -0.40 1.25 3.32 -1.07 -0.40 116.42 119.57 1v1j h ASP 92 Ca 0.10 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1v1j h ASP 92 Cb 0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1v1j h ASP 92 CO -0.02 0.43 -0.10 0.00 -1.72 0.00 0.00 179.24 177.84 1v1j h ALA 93 N 1.58 0.56 0.00 3.45 0.00 -0.68 -2.45 119.26 121.71 1v1j h ALA 93 Ca 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1v1j h ALA 93 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1v1j h ALA 93 CO 0.05 0.43 -0.21 -0.07 0.00 0.00 0.00 179.25 179.45 1v1j h LEU 94 N 0.59 0.00 -0.59 0.00 3.38 -0.82 -1.84 115.31 116.03 1v1j h LEU 94 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1v1j h LEU 94 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1v1j h LEU 94 CO 0.04 0.21 0.00 0.78 0.09 0.00 0.00 178.44 179.55 1v1j h ASN 95 N 0.00 0.00 1.07 -0.43 -0.26 -0.59 -2.03 115.58 113.34 1v1j h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1v1j h ASN 95 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1v1j h ASN 95 CO 0.03 0.00 -0.37 0.35 -1.06 0.00 0.00 177.43 176.38 1v1j n THR 96 N -2.34 0.41 -1.76 2.81 -2.24 -0.69 -4.35 114.28 106.13 1v1j n THR 96 Ca 0.03 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 1v1j n THR 96 Cb 0.29 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 2.06 6.43 0.00 0.00 1.01 -1.26 -2.03 116.67 122.88 1v1j s ASP 98 Ca 0.53 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.52 1v1j s ASP 98 Cb 0.15 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1v1j s ASP 98 CO -0.06 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 174.89 1v1j n GLY 99 N 4.39 2.02 3.71 0.21 0.00 -1.26 -4.98 105.19 109.28 1v1j n GLY 99 Ca 0.19 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 -0.86 -4.98 118.68 121.32 1v1j s LEU 100 Ca 0.00 1.63 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 1v1j s LEU 100 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1v1j s LEU 100 CO 0.00 -0.26 1.34 -2.84 -1.32 0.00 0.00 176.35 173.27 1v1j s PRO 101 N 1.04 4.36 -0.09 0.98 0.02 -1.26 -4.93 135.00 135.12 1v1j s PRO 101 Ca 0.51 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1v1j s PRO 101 Cb -0.21 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.12 1v1j s PRO 101 CO 0.27 -0.33 -0.13 0.08 -0.33 0.00 0.00 177.00 176.57 1v1j s VAL 102 N 0.47 1.24 -0.13 3.83 1.01 -1.26 -1.33 120.40 124.22 1v1j s VAL 102 Ca 0.60 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1v1j s VAL 102 Cb -0.37 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1v1j s VAL 102 CO 0.36 0.39 -0.19 -0.69 0.00 0.00 0.00 175.10 174.96 1v1j s VAL 103 N 0.93 2.36 -0.09 2.92 1.01 -0.16 -1.10 120.40 126.28 1v1j s VAL 103 Ca -0.09 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1v1j s VAL 103 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1v1j s VAL 103 CO 0.00 0.54 0.57 -0.70 0.00 0.00 0.00 175.10 175.51 1v1j s GLU 104 N 0.66 4.37 -0.01 2.72 2.12 -0.32 -0.75 118.70 127.49 1v1j s GLU 104 Ca -0.10 0.64 0.05 0.00 0.36 0.00 0.00 54.97 55.92 1v1j s GLU 104 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1v1j s GLU 104 CO 0.02 0.15 -0.16 0.08 -0.54 0.00 0.00 175.26 174.81 1v1j s VAL 105 N 0.59 1.26 -0.03 3.70 1.01 0.07 -0.88 120.40 126.12 1v1j s VAL 105 Ca 0.31 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1v1j s VAL 105 Cb -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1v1j s VAL 105 CO 0.14 0.32 -0.08 -1.00 0.00 0.00 0.00 175.10 174.48 1v1j s HIS 106 N -0.43 0.90 -0.08 5.22 3.76 -0.10 -3.97 115.29 120.59 1v1j s HIS 106 Ca 0.06 -0.23 -0.27 0.00 -0.15 0.00 0.00 55.06 54.46 1v1j s HIS 106 Cb -0.06 -0.66 -0.23 0.00 1.11 0.00 0.00 32.58 32.73 1v1j s HIS 106 CO -0.00 -0.12 1.04 0.82 -0.85 0.00 0.00 174.74 175.62 1v1j h ILE 107 N 5.53 1.58 -3.99 0.60 2.04 -1.86 -1.98 117.51 119.43 1v1j h ILE 107 Ca -0.34 -1.72 -0.49 0.00 1.00 0.00 0.00 64.86 63.31 1v1j h ILE 107 Cb 1.17 2.74 0.06 0.00 -0.74 0.00 0.00 36.82 40.05 1v1j h ILE 107 CO 0.49 0.45 0.27 -0.94 0.00 0.00 0.00 178.15 178.42 1v1j s SER 108 N -5.96 5.87 -0.75 1.72 1.04 -1.26 -2.37 113.70 111.99 1v1j s SER 108 Ca -0.17 1.03 -0.20 0.00 0.48 0.00 0.00 55.95 57.09 1v1j s SER 108 Cb -0.00 -2.07 0.11 0.00 0.10 0.00 0.00 66.02 64.16 1v1j s SER 108 CO 0.68 -0.97 0.94 0.21 0.98 0.00 0.00 173.24 175.09 1v1j s ASN 109 N -4.24 6.37 0.65 7.02 3.84 -1.26 -2.28 114.94 125.05 1v1j s ASN 109 Ca 0.54 -1.59 0.43 0.00 0.21 0.00 0.00 52.86 52.45 1v1j s ASN 109 Cb -0.11 -2.37 2.30 0.00 -0.55 0.00 0.00 41.25 40.52 1v1j s ASN 109 CO 0.49 -1.17 2.32 0.16 -2.79 0.00 0.00 177.10 176.11 1v1j h ILE 110 N 5.83 0.00 0.00 -5.21 3.07 -1.92 -1.84 117.51 117.44 1v1j h ILE 110 Ca -0.11 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.23 1v1j h ILE 110 Cb 1.06 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1v1j h ILE 110 CO 1.11 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.62 1v1j n HIS 111 N -3.08 0.38 -0.09 0.16 8.25 -1.26 -1.76 115.22 117.82 1v1j n HIS 111 Ca -0.03 0.12 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1v1j n HIS 111 Cb 0.10 -0.70 0.27 0.00 1.12 0.00 0.00 29.99 30.79 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 -1.82 2.63 0.00 -0.41 6.02 -0.69 -4.96 117.38 118.15 1v1j n GLN 112 Ca 0.05 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 1v1j n GLN 112 Cb 0.32 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 1.54 3.56 -1.70 -1.09 1.74 -0.72 -5.06 116.66 114.93 1v1j n ARG 113 Ca 0.22 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.90 1v1j n ARG 113 Cb 0.61 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.07 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 1.69 -0.26 5.56 4.71 -1.26 -4.87 120.64 126.20 1v1j n GLU 114 Ca 0.00 0.61 0.19 0.00 -0.01 0.00 0.00 57.16 57.96 1v1j n GLU 114 Cb 0.00 -2.40 0.50 0.00 -1.01 0.00 0.00 31.44 28.53 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 1.64 0.42 0.00 3.49 0.11 -1.96 0.03 132.00 135.72 1v1j h PRO 115 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1v1j h PRO 115 Cb 1.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1v1j h PRO 115 CO 0.58 0.28 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1v1j h PHE 116 N 0.43 0.00 -0.00 0.65 -5.15 -1.97 -1.23 116.94 109.67 1v1j h PHE 116 Ca 0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.27 1v1j h PHE 116 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1v1j h PHE 116 CO -0.00 0.00 -0.20 0.54 -2.00 0.00 0.00 178.31 176.65 1v1j n ARG 117 N -2.63 0.26 0.22 6.09 1.74 -0.00 -3.95 116.66 118.37 1v1j n ARG 117 Ca 0.01 -0.09 0.08 0.00 -0.77 0.00 0.00 57.85 57.08 1v1j n ARG 117 Cb 0.24 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.23 0.00 -3.28 -1.55 3.86 -1.25 -3.44 115.15 109.72 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 0.45 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.76 1v1j h HIS 118 CO 0.00 0.26 -0.61 -1.58 0.86 0.00 0.00 177.93 176.86 1v1j s HIS 119 N -3.93 3.17 -0.09 2.45 5.65 -1.25 -4.94 115.29 116.34 1v1j s HIS 119 Ca -0.01 0.05 0.02 0.00 0.25 0.00 0.00 55.06 55.37 1v1j s HIS 119 Cb 0.12 -1.91 0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1v1j s HIS 119 CO 0.65 0.27 -0.12 0.45 -0.65 0.00 0.00 174.74 175.34 1v1j s SER 120 N -0.25 2.08 0.34 9.88 0.15 -1.26 -4.21 113.70 120.43 1v1j s SER 120 Ca 0.06 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 56.46 1v1j s SER 120 Cb -0.12 -0.92 0.62 0.00 -1.71 0.00 0.00 66.02 63.89 1v1j s SER 120 CO 0.02 0.00 1.79 1.88 1.20 0.00 0.00 173.24 178.13 1v1j h TYR 121 N 7.33 0.17 -0.01 3.44 -1.99 -1.45 -2.84 116.97 121.62 1v1j h TYR 121 Ca -0.31 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.31 1v1j h TYR 121 Cb 1.17 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 1v1j h TYR 121 CO 0.48 0.48 -0.37 0.28 -0.00 0.00 0.00 178.16 179.03 1v1j h VAL 122 N 0.13 1.27 0.00 -2.88 2.07 -1.89 -3.02 116.25 111.93 1v1j h VAL 122 Ca 0.02 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1v1j h VAL 122 Cb 0.67 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1v1j h VAL 122 CO 0.05 0.37 -0.03 0.28 0.02 0.00 0.00 177.57 178.26 1v1j h SER 123 N 0.02 0.00 0.57 0.57 0.02 -1.87 0.10 113.55 112.97 1v1j h SER 123 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1v1j h SER 123 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1v1j h SER 123 CO 0.05 0.03 -0.36 1.56 -1.14 0.00 0.00 176.83 176.97 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.69 -3.29 115.11 117.78 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 0.09 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 1v1j h GLN 124 CO 0.00 0.36 -2.32 -2.13 -0.67 0.00 0.00 178.83 174.07 1v1j n ARG 125 N -3.78 0.85 -1.78 1.46 3.00 -0.24 -5.01 116.66 111.16 1v1j n ARG 125 Ca -0.01 -0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.42 1v1j n ARG 125 Cb 0.44 -1.49 -0.00 0.00 0.00 0.00 0.00 32.46 31.40 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 -2.72 2.40 -0.17 5.13 0.00 -0.14 -4.90 120.51 120.10 1v1j n ALA 126 Ca -0.32 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1v1j n ALA 126 Cb 1.12 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 3.03 0.96 -4.82 0.00 3.32 -1.46 -3.46 116.42 113.99 1v1j h ASP 127 Ca -0.51 -0.36 -0.22 0.00 0.02 0.00 0.00 57.03 55.96 1v1j h ASP 127 Cb 1.24 -0.26 -0.19 0.00 0.22 0.00 0.00 39.33 40.34 1v1j h ASP 127 CO 0.65 1.10 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.72 1v1j s GLY 128 N -3.60 0.52 -0.05 2.75 0.00 -1.18 -5.06 107.32 100.69 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 0.85 -1.01 -0.04 0.14 0.00 0.00 0.00 173.10 173.05 1v1j s VAL 129 N -2.24 0.53 -0.12 1.40 1.01 -1.26 -1.18 120.40 118.53 1v1j s VAL 129 Ca -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1v1j s VAL 129 Cb -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1v1j s VAL 129 CO -0.02 0.24 -0.17 -0.69 0.00 0.00 0.00 175.10 174.46 1v1j s VAL 130 N 1.13 1.65 -0.01 2.92 1.01 -0.06 -4.98 120.40 122.06 1v1j s VAL 130 Ca -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1v1j s VAL 130 Cb -0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1v1j s VAL 130 CO -0.01 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 1v1j s ALA 131 N 1.03 0.66 -0.48 5.51 0.00 -1.26 -0.92 121.76 126.30 1v1j s ALA 131 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1v1j s ALA 131 Cb -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1v1j s ALA 131 CO -0.03 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1v1j n GLY 132 N 3.11 0.71 1.77 0.00 0.00 -0.74 -4.76 105.19 105.26 1v1j n GLY 132 Ca -0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 0.93 0.30 0.00 0.00 -1.00 -2.69 105.19 102.62 1v1j n GLY 134 Ca 0.34 -0.83 0.19 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 0.01 -0.18 1.61 -1.51 -1.88 -1.63 116.25 112.67 1v1j h VAL 135 Ca 0.00 -0.34 0.05 0.00 -1.23 0.00 0.00 66.70 65.18 1v1j h VAL 135 Cb 0.00 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1v1j h VAL 135 CO 0.00 0.00 0.18 -0.61 -1.23 0.00 0.00 177.57 175.91 1v1j h GLN 136 N 0.00 0.00 -0.25 5.19 4.15 -1.93 -1.25 115.11 121.02 1v1j h GLN 136 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1v1j h GLN 136 Cb 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1v1j h GLN 136 CO 0.00 0.00 0.13 0.78 -1.93 0.00 0.00 178.83 177.81 1v1j h GLY 137 N 0.00 0.36 1.01 2.39 0.00 -1.09 -0.04 103.07 105.69 1v1j h GLY 137 Ca 0.09 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1v1j h GLY 137 CO -0.00 0.14 0.47 -0.97 0.00 0.00 0.00 176.54 176.18 1v1j h TYR 138 N 0.34 0.73 -0.13 5.60 -1.99 -1.42 -0.27 116.97 119.82 1v1j h TYR 138 Ca 0.09 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1v1j h TYR 138 Cb 0.03 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 1v1j h TYR 138 CO 0.00 0.37 -0.10 0.28 -0.00 0.00 0.00 178.16 178.71 1v1j h VAL 139 N 0.71 1.34 -0.92 -2.88 2.07 -1.13 -0.81 116.25 114.63 1v1j h VAL 139 Ca 0.32 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1v1j h VAL 139 Cb 0.32 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 1v1j h VAL 139 CO -0.11 0.35 0.56 -0.26 0.02 0.00 0.00 177.57 178.13 1v1j h PHE 140 N -0.06 1.02 -0.17 1.57 0.05 -1.19 0.15 116.94 118.30 1v1j h PHE 140 Ca 0.03 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.85 1v1j h PHE 140 Cb 0.60 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 1v1j h PHE 140 CO 0.08 0.44 0.11 0.78 -0.18 0.00 0.00 178.31 179.53 1v1j h GLY 141 N 0.93 0.25 1.02 -1.45 0.00 -0.66 0.15 103.07 103.31 1v1j h GLY 141 Ca 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1v1j h GLY 141 CO -0.24 0.09 0.51 -2.08 0.00 0.00 0.00 176.54 174.83 1v1j h VAL 142 N 0.22 1.25 -0.45 4.60 2.07 0.07 -1.68 116.25 122.32 1v1j h VAL 142 Ca 0.06 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1v1j h VAL 142 Cb -0.00 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1v1j h VAL 142 CO -0.01 0.28 -0.03 -0.08 0.02 0.00 0.00 177.57 177.74 1v1j h GLU 143 N 1.24 0.75 -0.26 1.57 4.57 -0.70 -1.51 114.58 120.25 1v1j h GLU 143 Ca 0.32 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 1v1j h GLU 143 Cb -0.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1v1j h GLU 143 CO -0.06 0.78 -0.45 -0.09 -1.18 0.00 0.00 179.01 178.02 1v1j h ARG 144 N 0.70 0.66 -0.83 1.92 9.65 -0.13 -2.72 114.38 123.64 1v1j h ARG 144 Ca 0.13 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 1v1j h ARG 144 Cb 0.47 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1v1j h ARG 144 CO 0.02 0.98 0.42 0.82 2.80 0.00 0.00 179.97 185.01 1v1j h ILE 145 N 0.53 1.25 -0.74 1.20 1.08 -1.05 -1.09 117.51 118.68 1v1j h ILE 145 Ca 0.03 -0.67 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1v1j h ILE 145 Cb 0.99 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 1v1j h ILE 145 CO 0.09 0.29 0.46 0.00 -0.69 0.00 0.00 178.15 178.31 1v1j h ALA 146 N 1.22 1.41 0.00 1.87 0.00 -1.17 0.39 119.26 122.99 1v1j h ALA 146 Ca 0.29 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1v1j h ALA 146 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1v1j h ALA 146 CO -0.04 0.52 -0.66 0.00 0.00 0.00 0.00 179.25 179.07 1v1j h ALA 147 N 1.49 0.65 0.19 0.00 0.00 -1.10 -1.75 119.26 118.74 1v1j h ALA 147 Ca 0.27 -0.60 -0.34 0.00 0.00 0.00 0.00 54.91 54.24 1v1j h ALA 147 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1v1j h ALA 147 CO -0.05 0.82 -1.64 -0.07 0.00 0.00 0.00 179.25 178.31 1v1j h LEU 148 N 0.00 0.61 -0.60 0.00 3.38 -0.14 -3.29 115.31 115.27 1v1j h LEU 148 Ca -0.01 -0.83 -0.15 0.00 0.09 0.00 0.00 57.88 56.98 1v1j h LEU 148 Cb 1.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1v1j h LEU 148 CO 0.09 1.69 -0.53 0.00 0.09 0.00 0.00 178.44 179.77 1v1j h ALA 149 N 0.22 0.78 0.00 1.53 0.00 -0.33 -3.50 119.26 117.96 1v1j h ALA 149 Ca -0.30 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1v1j h ALA 149 Cb 2.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1v1j h ALA 149 CO 0.20 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.54