#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 3.38 0.40 0.54 0.52 -1.26 -5.12 118.95 117.40 1v1j s ARG 2 Ca 0.00 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.73 1v1j s ARG 2 Cb 0.00 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 1v1j s ARG 2 CO 0.00 0.56 0.49 -1.54 0.02 0.00 0.00 175.30 174.82 1v1j s SER 3 N -2.90 5.49 0.65 0.23 1.04 -1.26 -4.72 113.70 112.23 1v1j s SER 3 Ca 0.34 -0.49 0.32 0.00 0.48 0.00 0.00 55.95 56.60 1v1j s SER 3 Cb -0.12 -0.72 1.77 0.00 0.10 0.00 0.00 66.02 67.06 1v1j s SER 3 CO 0.28 -0.67 2.03 -0.07 0.98 0.00 0.00 173.24 175.79 1v1j h LEU 4 N 0.82 0.00 0.00 2.42 4.07 -1.87 -1.22 115.31 119.53 1v1j h LEU 4 Ca -0.41 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.41 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 -1.19 0.00 -1.08 0.00 0.00 178.44 176.67 1v1j h ALA 5 N 1.53 0.64 0.00 1.53 0.00 -1.92 -3.36 119.26 117.69 1v1j h ALA 5 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1v1j h ALA 5 Cb 0.57 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1v1j h ALA 5 CO -0.00 0.77 -1.10 0.09 0.00 0.00 0.00 179.25 179.01 1v1j n ASN 6 N -2.94 0.59 -3.57 0.00 3.02 -0.49 -4.97 115.26 106.91 1v1j n ASN 6 Ca -0.06 -0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.18 1v1j n ASN 6 Cb 0.79 0.86 -0.06 0.00 -0.61 0.00 0.00 39.78 40.75 1v1j n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v1j s ALA 7 N -3.24 -1.79 0.75 5.41 0.00 -1.02 -4.93 121.76 116.93 1v1j s ALA 7 Ca 0.02 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 1v1j s ALA 7 Cb 0.14 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1v1j s ALA 7 CO 0.81 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 176.06 1v1j s PRO 8 N -0.59 2.52 -0.17 0.00 0.04 -1.26 -4.37 135.00 131.17 1v1j s PRO 8 Ca -0.06 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 1v1j s PRO 8 Cb -0.02 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1v1j s PRO 8 CO 0.06 -1.31 0.76 0.42 0.04 0.00 0.00 177.00 176.97 1v1j s ILE 9 N -3.20 4.93 -0.08 0.56 1.01 -0.03 -1.34 121.20 123.05 1v1j s ILE 9 Ca 0.59 1.49 -0.25 0.00 0.00 0.00 0.00 60.65 62.49 1v1j s ILE 9 Cb -0.13 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1v1j s ILE 9 CO 0.54 0.07 0.76 -0.32 0.00 0.00 0.00 174.94 175.99 1v1j s MET 10 N 1.96 4.43 -0.31 2.79 -2.45 -0.96 -1.19 119.30 123.57 1v1j s MET 10 Ca 0.36 0.97 -0.02 0.00 -1.25 0.00 0.00 55.69 55.74 1v1j s MET 10 Cb -0.16 -3.47 0.05 0.00 1.25 0.00 0.00 34.83 32.49 1v1j s MET 10 CO 0.12 -0.02 0.02 0.42 1.05 0.00 0.00 175.02 176.61 1v1j s ILE 11 N 1.08 3.07 -0.13 10.11 -1.09 0.17 -1.69 121.20 132.72 1v1j s ILE 11 Ca 0.39 -1.40 -0.06 0.00 -2.23 0.00 0.00 60.65 57.35 1v1j s ILE 11 Cb -0.18 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1v1j s ILE 11 CO 0.18 -0.14 0.09 -0.76 -1.23 0.00 0.00 174.94 173.08 1v1j s LEU 12 N 1.26 4.06 -0.05 2.97 1.43 0.01 -1.11 118.68 127.26 1v1j s LEU 12 Ca -0.04 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1v1j s LEU 12 Cb -0.20 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1v1j s LEU 12 CO -0.01 0.33 -0.15 0.20 0.23 0.00 0.00 176.35 176.95 1v1j s ASN 13 N -0.55 1.99 0.06 2.29 0.01 -0.19 -1.17 114.94 117.38 1v1j s ASN 13 Ca 0.11 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 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 0.02 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 1v1j n GLY 14 N 3.32 1.07 3.74 0.66 0.00 -0.08 -1.14 105.19 112.75 1v1j n GLY 14 Ca -0.19 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 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 1.20 2.57 0.00 1.61 0.04 -1.03 -3.10 135.00 136.30 1v1j s PRO 15 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1v1j s PRO 15 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 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 -2.02 0.00 0.20 6.66 3.02 -1.26 -4.64 115.26 117.22 1v1j n ASN 16 Ca 0.15 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.84 1v1j n ASN 16 Cb 0.49 -1.66 0.47 0.00 -0.61 0.00 0.00 39.78 38.47 1v1j n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1v1j h LEU 17 N 0.00 0.00 -2.35 3.41 3.38 -1.91 -1.87 115.31 115.96 1v1j h LEU 17 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 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 0.19 -0.55 0.09 0.00 0.00 178.44 178.17 1v1j h ASN 18 N 0.00 0.00 -0.60 -0.43 -1.07 -1.86 0.40 115.58 112.02 1v1j h ASN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1v1j h ASN 18 Cb 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 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 -3.39 3.30 -4.61 6.14 4.77 -0.70 -4.81 117.00 117.70 1v1j n LEU 19 Ca -0.00 -1.63 -0.48 0.00 -0.03 0.00 0.00 56.01 53.87 1v1j n LEU 19 Cb 0.28 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1v1j n LEU 19 CO 0.22 0.81 0.83 -0.11 -1.33 0.00 0.00 177.39 177.81 1v1j n LEU 20 N 1.31 1.99 0.00 2.23 7.94 0.13 -2.21 117.00 128.39 1v1j n LEU 20 Ca 0.21 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1v1j n LEU 20 Cb 0.53 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1v1j n LEU 20 CO 0.14 -1.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.00 1v1j n GLY 21 N 2.14 0.62 0.00 -3.96 0.00 -1.12 -4.02 105.19 98.86 1v1j n GLY 21 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.71 -0.54 -3.54 1.61 6.02 -0.94 -4.77 117.38 112.52 1v1j n GLN 22 Ca 0.00 -0.35 -0.17 0.00 -0.01 0.00 0.00 57.00 56.47 1v1j n GLN 22 Cb 0.00 -0.82 -0.06 0.00 1.02 0.00 0.00 30.24 30.38 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 0.98 -1.30 -1.09 3.03 -1.26 -4.97 118.95 114.31 1v1j s ARG 23 Ca 0.00 0.35 -0.16 0.00 2.03 0.00 0.00 55.73 57.95 1v1j s ARG 23 Cb 0.00 0.47 0.01 0.00 -1.03 0.00 0.00 34.95 34.40 1v1j s ARG 23 CO 0.00 -0.28 0.53 1.04 -1.13 0.00 0.00 175.30 175.46 1v1j n GLN 24 N 1.15 -1.46 -0.30 3.89 6.02 -1.26 -4.67 117.38 120.75 1v1j n GLN 24 Ca -0.17 0.27 -0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1v1j n GLN 24 Cb 0.57 -3.69 0.07 0.00 1.02 0.00 0.00 30.24 28.21 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 -2.08 1.16 -0.10 -1.09 0.13 -1.94 0.19 132.00 128.26 1v1j h PRO 25 Ca -0.67 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 64.35 1v1j h PRO 25 Cb 1.38 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1v1j h PRO 25 CO 0.57 0.86 0.28 0.93 -0.23 0.00 0.00 178.00 180.41 1v1j h GLU 26 N 1.15 0.00 0.00 0.86 3.07 -1.88 1.89 114.58 119.67 1v1j h GLU 26 Ca 0.29 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.71 1v1j h GLU 26 Cb 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.89 1v1j h GLU 26 CO -0.04 0.00 -2.50 -0.89 -1.40 0.00 0.00 179.01 174.18 1v1j n ILE 27 N -3.22 1.48 0.59 3.13 5.41 -0.58 -4.73 119.36 121.45 1v1j n ILE 27 Ca 0.00 -0.42 0.07 0.00 1.00 0.00 0.00 62.75 63.39 1v1j n ILE 27 Cb 0.37 -1.75 -0.08 0.00 -0.71 0.00 0.00 39.64 37.47 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 -3.97 0.00 -0.84 1.39 4.02 0.55 -4.44 117.16 113.88 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 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 1v1j n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1v1j n GLY 29 N 1.37 -2.73 0.48 2.72 0.00 0.64 -4.72 105.19 102.95 1v1j n GLY 29 Ca 0.02 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.13 2.59 -4.82 1.61 3.41 -1.26 -4.02 113.62 111.00 1v1j n SER 30 Ca 0.00 -1.92 -0.33 0.00 -0.26 0.00 0.00 58.87 56.36 1v1j n SER 30 Cb 0.00 -0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.96 6.94 0.54 4.04 1.01 -1.26 -4.70 116.67 122.27 1v1j s ASP 31 Ca 0.17 1.63 0.07 0.00 0.71 0.00 0.00 52.55 55.13 1v1j s ASP 31 Cb 0.09 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.57 1v1j s ASP 31 CO 0.12 -0.32 0.75 0.42 0.21 0.00 0.00 175.17 176.35 1v1j s THR 32 N -2.11 2.47 0.28 -1.27 -4.23 -1.26 -2.79 115.64 106.73 1v1j s THR 32 Ca 0.60 -0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1v1j s THR 32 Cb -0.10 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1v1j s THR 32 CO 0.14 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.26 1v1j h LEU 33 N 0.22 0.68 -1.15 4.79 5.85 -1.84 -0.63 115.31 123.23 1v1j h LEU 33 Ca -0.35 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 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 0.76 0.15 0.00 -0.34 0.00 0.00 178.44 179.44 1v1j h ALA 34 N 1.32 1.32 -0.62 1.25 0.00 -1.94 0.11 119.26 120.70 1v1j h ALA 34 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1v1j h ALA 34 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1v1j h ALA 34 CO 0.02 0.49 0.26 -0.44 0.00 0.00 0.00 179.25 179.58 1v1j h ASP 35 N 0.73 0.82 -0.11 0.00 3.32 -1.52 -1.72 116.42 117.95 1v1j h ASP 35 Ca 0.17 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1v1j h ASP 35 Cb 0.23 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1v1j h ASP 35 CO -0.01 0.73 -0.08 0.58 -1.72 0.00 0.00 179.24 178.74 1v1j h VAL 36 N 0.89 1.34 -0.84 -1.35 2.07 -0.61 -0.99 116.25 116.77 1v1j h VAL 36 Ca 0.21 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1v1j h VAL 36 Cb 0.16 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 1v1j h VAL 36 CO -0.02 0.34 0.48 -0.08 0.02 0.00 0.00 177.57 178.31 1v1j h GLU 37 N -0.13 0.77 -0.50 1.57 4.81 -0.45 0.27 114.58 120.92 1v1j h GLU 37 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1v1j h GLU 37 Cb 0.58 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1v1j h GLU 37 CO 0.02 0.51 0.15 0.00 -0.73 0.00 0.00 179.01 178.96 1v1j h ALA 38 N 1.47 1.33 -0.60 2.92 0.00 -0.88 0.13 119.26 123.63 1v1j h ALA 38 Ca 0.41 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1v1j h ALA 38 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1v1j h ALA 38 CO -0.26 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.40 1v1j h LEU 39 N 0.72 1.04 -0.60 0.00 3.38 0.80 -2.40 115.31 118.26 1v1j h LEU 39 Ca 0.17 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1v1j h LEU 39 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1v1j h LEU 39 CO -0.01 1.10 -0.03 0.00 0.09 0.00 0.00 178.44 179.58 1v1j h VAL 41 N 0.97 1.19 -0.18 0.00 2.07 -0.32 -0.89 116.25 119.10 1v1j h VAL 41 Ca 0.16 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1v1j h VAL 41 Cb 0.60 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1v1j h VAL 41 CO 0.04 0.20 0.03 0.50 0.02 0.00 0.00 177.57 178.36 1v1j h LYS 42 N 0.91 0.30 -0.73 1.57 3.64 -1.37 -0.52 116.57 120.37 1v1j h LYS 42 Ca 0.24 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1v1j h LYS 42 Cb -0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1v1j h LYS 42 CO -0.04 0.47 0.47 0.00 -2.27 0.00 0.00 179.45 178.07 1v1j h ALA 43 N 0.82 0.93 -0.05 5.00 0.00 -1.17 -2.16 119.26 122.63 1v1j h ALA 43 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1v1j h ALA 43 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1v1j h ALA 43 CO 0.00 0.30 -0.64 0.00 0.00 0.00 0.00 179.25 178.91 1v1j h ALA 44 N 1.28 0.82 -0.18 0.00 0.00 -0.94 -2.95 119.26 117.30 1v1j h ALA 44 Ca 0.28 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1v1j h ALA 44 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1v1j h ALA 44 CO -0.08 0.76 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 1v1j h ALA 45 N 1.19 1.19 -0.01 0.00 0.00 -0.55 0.26 119.26 121.34 1v1j h ALA 45 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1v1j h ALA 45 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1v1j h ALA 45 CO 0.10 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.91 1v1j h ALA 46 N 1.41 1.14 -0.17 0.00 0.00 -1.22 -0.23 119.26 120.18 1v1j h ALA 46 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1v1j h ALA 46 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1v1j h ALA 46 CO 0.05 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.98 1v1j n HIS 47 N -3.21 0.22 -0.30 0.00 8.25 -0.23 -4.95 115.22 115.01 1v1j n HIS 47 Ca -0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1v1j n HIS 47 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.85 0.83 3.68 -1.41 0.00 -0.10 -4.93 105.19 104.10 1v1j n GLY 48 Ca 0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.30 3.49 3.37 -0.02 0.00 0.74 -4.52 105.19 105.94 1v1j n GLY 49 Ca 0.00 -2.37 -0.18 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.84 0.91 0.12 2.61 -4.23 -1.26 -3.38 115.64 107.57 1v1j s THR 50 Ca 0.03 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1v1j s THR 50 Cb -0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1v1j s THR 50 CO 0.02 -0.09 -0.12 0.68 -0.54 0.00 0.00 174.62 174.57 1v1j s VAL 51 N -3.50 1.19 -0.26 2.29 -7.23 -1.26 -0.85 120.40 110.77 1v1j s VAL 51 Ca 0.35 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1v1j s VAL 51 Cb 0.08 -1.50 0.08 0.00 0.56 0.00 0.00 36.38 35.60 1v1j s VAL 51 CO 0.13 -0.49 0.03 -0.62 -0.31 0.00 0.00 175.10 173.84 1v1j s ASP 52 N -2.51 3.77 -0.24 4.85 -1.08 -0.33 -4.89 116.67 116.24 1v1j s ASP 52 Ca 0.08 -1.35 -0.07 0.00 -0.52 0.00 0.00 52.55 50.70 1v1j s ASP 52 Cb -0.04 -0.96 -0.03 0.00 -1.46 0.00 0.00 42.92 40.43 1v1j s ASP 52 CO 0.02 -0.33 0.07 0.12 0.52 0.00 0.00 175.17 175.56 1v1j s PHE 53 N 1.55 3.10 0.08 -5.34 5.36 -1.26 -0.66 117.98 120.81 1v1j s PHE 53 Ca 0.03 -0.35 0.03 0.00 -0.96 0.00 0.00 56.93 55.68 1v1j s PHE 53 Cb -0.18 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1v1j s PHE 53 CO -0.14 -0.28 -0.08 1.03 -1.46 0.00 0.00 175.22 174.29 1v1j s ARG 54 N 1.41 0.74 -0.02 10.12 0.52 -0.26 -4.98 118.95 126.47 1v1j s ARG 54 Ca 0.05 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1v1j s ARG 54 Cb -0.15 -0.37 0.01 0.00 0.52 0.00 0.00 34.95 34.97 1v1j s ARG 54 CO 0.03 0.05 -0.05 -1.14 0.02 0.00 0.00 175.30 174.21 1v1j s GLN 55 N -2.66 0.60 0.01 3.54 -0.44 -1.26 -1.02 119.66 118.43 1v1j s GLN 55 Ca 0.02 -0.13 -0.10 0.00 -2.50 0.00 0.00 55.36 52.65 1v1j s GLN 55 Cb -0.03 -0.62 0.01 0.00 -1.64 0.00 0.00 33.01 30.73 1v1j s GLN 55 CO -0.01 0.01 0.20 0.45 0.50 0.00 0.00 175.29 176.44 1v1j s SER 56 N 0.45 -0.03 0.00 6.67 0.15 -0.29 -4.96 113.70 115.69 1v1j s SER 56 Ca -0.05 -0.19 0.25 0.00 0.70 0.00 0.00 55.95 56.66 1v1j s SER 56 Cb -0.09 0.26 0.45 0.00 -1.71 0.00 0.00 66.02 64.93 1v1j s SER 56 CO -0.00 -0.46 1.40 0.59 1.20 0.00 0.00 173.24 175.97 1v1j n ASN 57 N 1.13 2.49 -4.37 5.45 3.02 -1.26 -2.45 115.26 119.26 1v1j n ASN 57 Ca -0.21 -1.81 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 1v1j n ASN 57 Cb 0.57 0.02 -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 -2.03 3.01 0.17 3.10 3.76 -1.26 -4.76 115.29 117.29 1v1j s HIS 58 Ca 0.31 -0.69 -0.15 0.00 -0.15 0.00 0.00 55.06 54.37 1v1j s HIS 58 Cb 0.20 -2.16 0.14 0.00 1.11 0.00 0.00 32.58 31.87 1v1j s HIS 58 CO 0.32 -0.45 1.71 1.49 -0.85 0.00 0.00 174.74 176.97 1v1j h GLU 59 N 8.12 0.17 -0.08 1.40 4.81 -2.00 -2.07 114.58 124.93 1v1j h GLU 59 Ca -0.40 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1v1j h GLU 59 Cb 1.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1v1j h GLU 59 CO 0.59 0.11 -0.19 0.78 -0.73 0.00 0.00 179.01 179.58 1v1j h GLY 60 N 0.18 0.14 1.54 1.92 0.00 -1.99 -1.98 103.07 102.88 1v1j h GLY 60 Ca 0.21 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 1v1j h GLY 60 CO -0.31 0.08 -0.83 -2.09 0.00 0.00 0.00 176.54 173.39 1v1j h GLU 61 N 0.12 0.43 -0.79 4.80 4.81 -1.85 -0.35 114.58 121.75 1v1j h GLU 61 Ca 0.02 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1v1j h GLU 61 Cb 0.41 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1v1j h GLU 61 CO 0.03 1.05 0.37 -0.07 -0.73 0.00 0.00 179.01 179.66 1v1j h LEU 62 N 0.27 1.04 -0.24 1.64 3.38 -0.85 0.14 115.31 120.70 1v1j h LEU 62 Ca -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1v1j h LEU 62 Cb 1.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1v1j h LEU 62 CO 0.15 0.89 0.09 0.58 0.09 0.00 0.00 178.44 180.24 1v1j h VAL 63 N 1.13 1.17 -0.77 1.22 2.07 -0.84 -1.02 116.25 119.23 1v1j h VAL 63 Ca 0.27 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1v1j h VAL 63 Cb 0.13 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1v1j h VAL 63 CO -0.03 0.17 0.44 0.44 0.02 0.00 0.00 177.57 178.61 1v1j h ASP 64 N 0.23 0.64 0.32 0.57 3.32 -0.55 -0.15 116.42 120.81 1v1j h ASP 64 Ca 0.08 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1v1j h ASP 64 Cb 0.18 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1v1j h ASP 64 CO -0.01 0.39 -0.33 -0.50 -1.72 0.00 0.00 179.24 177.08 1v1j h TRP 65 N 0.77 0.01 -0.21 4.55 6.55 -0.40 -1.82 115.95 125.41 1v1j h TRP 65 Ca 0.36 -0.00 -0.13 0.00 0.95 0.00 0.00 58.89 60.06 1v1j h TRP 65 Cb 0.27 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 1v1j h TRP 65 CO -0.07 0.33 -0.43 0.82 -1.05 0.00 0.00 178.44 178.05 1v1j h ILE 66 N 0.01 1.31 -0.14 1.49 2.04 0.26 -0.10 117.51 122.37 1v1j h ILE 66 Ca -0.00 -1.60 -0.07 0.00 1.00 0.00 0.00 64.86 64.19 1v1j h ILE 66 Cb 0.58 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1v1j h ILE 66 CO 0.04 0.50 -0.21 0.45 0.00 0.00 0.00 178.15 178.93 1v1j h HIS 67 N 0.41 0.27 -0.11 1.37 3.86 -0.53 -1.98 115.15 118.43 1v1j h HIS 67 Ca 0.03 -0.04 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1v1j h HIS 67 Cb 0.92 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1v1j h HIS 67 CO 0.03 0.45 -0.75 1.49 0.86 0.00 0.00 177.93 180.02 1v1j h GLU 68 N 0.23 0.56 -0.28 2.45 4.81 -0.67 -2.94 114.58 118.73 1v1j h GLU 68 Ca 0.04 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 1v1j h GLU 68 Cb 0.51 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1v1j h GLU 68 CO 0.03 1.08 0.01 0.00 -0.73 0.00 0.00 179.01 179.40 1v1j h ALA 69 N 0.79 1.50 -0.05 2.92 0.00 -0.32 -1.73 119.26 122.37 1v1j h ALA 69 Ca -0.04 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1v1j h ALA 69 Cb 1.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1v1j h ALA 69 CO 0.14 0.36 0.05 0.00 0.00 0.00 0.00 179.25 179.80 1v1j h ARG 70 N 0.41 0.00 0.00 0.00 3.08 -1.23 -2.18 114.38 114.45 1v1j h ARG 70 Ca 0.09 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 1v1j h ARG 70 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1v1j h ARG 70 CO 0.01 0.00 -2.21 1.28 -1.07 0.00 0.00 179.97 177.98 1v1j n LEU 71 N -4.18 0.10 0.00 3.04 4.77 -0.72 -4.76 117.00 115.25 1v1j n LEU 71 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v1j n LEU 71 Cb 0.15 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1v1j n LEU 71 CO 0.31 0.37 0.22 0.59 -1.33 0.00 0.00 177.39 177.55 1v1j n ASN 72 N -2.67 0.90 -4.42 -1.43 3.02 -0.78 -5.08 115.26 104.79 1v1j n ASN 72 Ca -0.25 -1.02 -0.21 0.00 -0.03 0.00 0.00 54.58 53.08 1v1j n ASN 72 Cb 1.01 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.02 1.88 -0.76 3.10 3.76 -0.84 -4.33 115.29 118.09 1v1j s HIS 73 Ca 0.00 -0.94 0.21 0.00 -0.15 0.00 0.00 55.06 54.18 1v1j s HIS 73 Cb 0.00 -1.19 -0.25 0.00 1.11 0.00 0.00 32.58 32.25 1v1j s HIS 73 CO 0.00 0.01 0.79 0.00 -0.85 0.00 0.00 174.74 174.69 1v1j s GLY 75 N -3.33 -0.13 -0.03 0.00 0.00 -1.26 -4.40 107.32 98.17 1v1j s GLY 75 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1v1j s GLY 75 CO 0.87 3.73 -0.01 -0.42 0.00 0.00 0.00 173.10 177.27 1v1j s ILE 76 N -2.16 0.25 -0.21 0.90 1.01 -0.22 -2.26 121.20 118.51 1v1j s ILE 76 Ca 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 1v1j s ILE 76 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1v1j s ILE 76 CO 0.00 0.16 0.01 -0.69 0.00 0.00 0.00 174.94 174.42 1v1j s VAL 77 N 0.97 4.04 -0.03 2.92 1.01 -0.68 -0.71 120.40 127.93 1v1j s VAL 77 Ca -0.10 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1v1j s VAL 77 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1v1j s VAL 77 CO -0.01 0.42 -0.06 -0.51 0.00 0.00 0.00 175.10 174.94 1v1j s ILE 78 N 1.05 0.57 -0.51 2.22 2.07 0.24 -0.81 121.20 126.03 1v1j s ILE 78 Ca 0.02 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 1v1j s ILE 78 Cb -0.14 -0.54 0.13 0.00 0.13 0.00 0.00 42.46 42.04 1v1j s ILE 78 CO 0.02 0.20 0.26 0.21 -1.91 0.00 0.00 174.94 173.72 1v1j s ASN 79 N 0.40 4.64 0.00 4.50 3.84 -0.31 -0.29 114.94 127.71 1v1j s ASN 79 Ca -0.05 -2.79 0.31 0.00 0.21 0.00 0.00 52.86 50.54 1v1j s ASN 79 Cb -0.09 -1.69 1.83 0.00 -0.55 0.00 0.00 41.25 40.75 1v1j s ASN 79 CO 0.00 -0.30 2.17 -2.65 -2.79 0.00 0.00 177.10 173.53 1v1j n PRO 80 N 3.45 0.93 0.00 0.43 -0.02 -1.26 -0.91 135.00 137.63 1v1j n PRO 80 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1v1j n PRO 80 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.02 0.00 -0.03 3.55 0.00 -1.26 -1.60 120.51 120.15 1v1j n ALA 81 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1v1j n ALA 81 Cb 0.12 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.34 1.61 0.00 0.00 0.00 -1.93 0.49 119.26 119.09 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 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1v1j h ALA 82 CO 0.00 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.25 1v1j n TYR 83 N -4.43 0.77 -0.33 0.00 0.53 -0.63 -1.60 117.16 111.48 1v1j n TYR 83 Ca 0.04 0.34 0.14 0.00 -1.02 0.00 0.00 57.90 57.39 1v1j n TYR 83 Cb 0.09 -1.04 0.32 0.00 -1.03 0.00 0.00 39.34 37.68 1v1j n TYR 83 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1v1j h SER 84 N 0.00 0.62 0.42 7.72 0.02 -0.84 -0.77 113.55 120.72 1v1j h SER 84 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1v1j h SER 84 Cb 0.24 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1v1j h SER 84 CO 0.00 0.16 -0.66 1.41 -1.14 0.00 0.00 176.83 176.59 1v1j n HIS 85 N -4.88 0.06 0.00 3.45 8.25 -0.62 -1.36 115.22 120.12 1v1j n HIS 85 Ca 0.23 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1v1j n HIS 85 Cb 0.62 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.59 0.00 -3.41 1.59 -2.24 -1.06 -4.84 114.28 102.73 1v1j n THR 86 Ca 0.05 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 61.14 1v1j n THR 86 Cb 0.35 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.66 6.05 0.56 3.42 0.15 -0.32 -4.81 113.70 118.09 1v1j s SER 87 Ca 0.00 -1.95 0.34 0.00 0.70 0.00 0.00 55.95 55.04 1v1j s SER 87 Cb 0.00 -2.13 1.59 0.00 -1.71 0.00 0.00 66.02 63.77 1v1j s SER 87 CO 0.00 -0.76 2.08 0.58 1.20 0.00 0.00 173.24 176.34 1v1j h VAL 88 N 5.86 0.16 -0.27 4.45 2.07 -1.95 -3.15 116.25 123.42 1v1j h VAL 88 Ca -0.22 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 1v1j h VAL 88 Cb 1.08 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1v1j h VAL 88 CO 0.94 0.04 -0.47 0.00 0.02 0.00 0.00 177.57 178.10 1v1j h ALA 89 N 1.96 0.66 -0.33 1.67 0.00 -1.96 -1.29 119.26 119.96 1v1j h ALA 89 Ca -0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1v1j h ALA 89 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1v1j h ALA 89 CO 0.01 0.67 -0.37 0.82 0.00 0.00 0.00 179.25 180.38 1v1j h ILE 90 N 0.57 1.28 -0.11 0.00 2.04 -1.91 -1.97 117.51 117.41 1v1j h ILE 90 Ca 0.03 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.38 1v1j h ILE 90 Cb 1.03 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1v1j h ILE 90 CO 0.10 0.50 -0.03 0.25 0.00 0.00 0.00 178.15 178.97 1v1j h LEU 91 N 0.63 -0.11 -1.49 1.44 5.85 -1.44 -0.42 115.31 119.77 1v1j h LEU 91 Ca 0.06 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1v1j h LEU 91 Cb 0.91 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1v1j h LEU 91 CO 0.08 -0.04 -0.25 0.44 -0.34 0.00 0.00 178.44 178.33 1v1j h ASP 92 N -0.01 0.00 -0.19 1.25 3.32 -1.13 -0.10 116.42 119.57 1v1j h ASP 92 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1v1j h ASP 92 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1v1j h ASP 92 CO -0.12 0.25 -0.48 0.00 -1.72 0.00 0.00 179.24 177.17 1v1j h ALA 93 N 1.75 0.32 0.00 3.45 0.00 -0.43 -2.85 119.26 121.49 1v1j h ALA 93 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1v1j h ALA 93 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1v1j h ALA 93 CO 0.03 0.48 -0.23 -0.07 0.00 0.00 0.00 179.25 179.46 1v1j h LEU 94 N 0.35 0.00 -0.74 0.00 3.38 -0.66 -1.88 115.31 115.76 1v1j h LEU 94 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v1j h LEU 94 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1v1j h LEU 94 CO 0.10 0.23 0.00 0.78 0.09 0.00 0.00 178.44 179.64 1v1j h ASN 95 N 0.00 0.00 1.27 -0.43 -0.26 -0.79 -2.00 115.58 113.37 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 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1v1j h ASN 95 CO 0.03 0.00 -0.39 0.71 -1.06 0.00 0.00 177.43 176.72 1v1j h THR 96 N 0.00 0.00 -0.11 2.81 1.35 -1.25 -3.38 112.91 112.32 1v1j h THR 96 Ca 0.00 -0.65 -0.69 0.00 -0.55 0.00 0.00 66.41 64.51 1v1j h THR 96 Cb 0.40 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1v1j h THR 96 CO 0.00 0.00 3.42 0.00 -0.25 0.00 0.00 175.52 178.69 1v1j s ASP 98 N 2.46 6.49 0.00 0.00 1.01 -1.26 -1.75 116.67 123.62 1v1j s ASP 98 Ca 0.58 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.53 1v1j s ASP 98 Cb 0.16 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1v1j s ASP 98 CO -0.07 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 174.98 1v1j n GLY 99 N 4.05 2.78 3.71 0.21 0.00 -1.26 -4.97 105.19 109.71 1v1j n GLY 99 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 0.20 0.99 2.96 -0.72 -4.99 118.68 121.48 1v1j s LEU 100 Ca 0.00 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.25 1v1j s LEU 100 Cb 0.00 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 1v1j s LEU 100 CO 0.00 -0.27 1.31 -2.84 -1.32 0.00 0.00 176.35 173.23 1v1j s PRO 101 N 1.08 4.39 -0.07 0.98 0.02 -1.26 -4.92 135.00 135.22 1v1j s PRO 101 Ca 0.52 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1v1j s PRO 101 Cb -0.21 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1v1j s PRO 101 CO 0.27 -0.26 -0.14 0.08 -0.33 0.00 0.00 177.00 176.63 1v1j s VAL 102 N 0.14 1.29 -0.09 3.83 1.01 -1.26 -1.06 120.40 124.27 1v1j s VAL 102 Ca 0.57 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1v1j s VAL 102 Cb -0.36 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1v1j s VAL 102 CO 0.38 0.39 -0.16 -0.69 0.00 0.00 0.00 175.10 175.02 1v1j s VAL 103 N 0.66 1.46 -0.11 2.92 1.01 0.11 -1.30 120.40 125.16 1v1j s VAL 103 Ca -0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1v1j s VAL 103 Cb -0.16 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1v1j s VAL 103 CO 0.04 0.43 0.39 -0.70 0.00 0.00 0.00 175.10 175.26 1v1j s GLU 104 N 0.71 4.22 0.01 2.72 2.12 -0.24 -0.59 118.70 127.65 1v1j s GLU 104 Ca -0.13 0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.56 1v1j s GLU 104 Cb -0.16 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 1v1j s GLU 104 CO 0.03 0.29 -0.17 0.08 -0.54 0.00 0.00 175.26 174.95 1v1j s VAL 105 N 0.24 1.36 -0.03 3.70 1.01 0.61 -1.11 120.40 126.18 1v1j s VAL 105 Ca 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1v1j s VAL 105 Cb -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1v1j s VAL 105 CO 0.08 0.24 -0.04 -1.00 0.00 0.00 0.00 175.10 174.38 1v1j s HIS 106 N -0.61 0.60 0.01 5.22 3.76 0.34 -4.10 115.29 120.50 1v1j s HIS 106 Ca 0.06 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.60 1v1j s HIS 106 Cb -0.07 -0.53 -0.18 0.00 1.11 0.00 0.00 32.58 32.91 1v1j s HIS 106 CO 0.00 -0.13 1.29 0.82 -0.85 0.00 0.00 174.74 175.88 1v1j h ILE 107 N 5.88 1.38 -3.54 0.60 2.04 -1.86 -2.01 117.51 119.99 1v1j h ILE 107 Ca -0.37 -1.27 -0.47 0.00 1.00 0.00 0.00 64.86 63.75 1v1j h ILE 107 Cb 1.16 2.05 0.05 0.00 -0.74 0.00 0.00 36.82 39.34 1v1j h ILE 107 CO 0.48 0.35 0.14 -0.94 0.00 0.00 0.00 178.15 178.19 1v1j s SER 108 N -5.94 5.66 -0.72 1.72 1.04 -1.26 -2.06 113.70 112.13 1v1j s SER 108 Ca -0.15 0.67 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 1v1j s SER 108 Cb 0.03 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.55 1v1j s SER 108 CO 0.72 -0.99 0.91 0.21 0.98 0.00 0.00 173.24 175.06 1v1j s ASN 109 N -4.28 6.34 0.45 7.02 3.84 -1.26 -2.53 114.94 124.52 1v1j s ASN 109 Ca 0.53 -1.54 0.31 0.00 0.21 0.00 0.00 52.86 52.37 1v1j s ASN 109 Cb -0.10 -2.36 1.55 0.00 -0.55 0.00 0.00 41.25 39.79 1v1j s ASN 109 CO 0.44 -1.17 1.93 0.16 -2.79 0.00 0.00 177.10 175.67 1v1j h ILE 110 N 5.84 0.00 0.00 -5.21 3.07 -1.92 -2.12 117.51 117.17 1v1j h ILE 110 Ca -0.14 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1v1j h ILE 110 Cb 1.06 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 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 -2.62 0.56 0.12 0.16 8.25 -1.26 -2.20 115.22 118.23 1v1j n HIS 111 Ca -0.01 0.17 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 1v1j n HIS 111 Cb 0.12 -0.78 0.23 0.00 1.12 0.00 0.00 29.99 30.68 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 -1.97 2.52 0.00 -0.41 6.02 -0.79 -4.96 117.38 117.79 1v1j n GLN 112 Ca 0.06 -2.34 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 1v1j n GLN 112 Cb 0.37 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 1.46 3.49 -1.75 -1.09 1.74 -0.94 -5.06 116.66 114.52 1v1j n ARG 113 Ca 0.20 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.88 1v1j n ARG 113 Cb 0.59 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.06 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 1.99 -0.27 5.56 4.71 -1.26 -4.87 120.64 126.50 1v1j n GLU 114 Ca 0.00 0.72 0.18 0.00 -0.01 0.00 0.00 57.16 58.05 1v1j n GLU 114 Cb 0.00 -2.60 0.47 0.00 -1.01 0.00 0.00 31.44 28.31 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 1.90 0.47 0.00 3.49 0.11 -1.96 0.31 132.00 136.32 1v1j h PRO 115 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1v1j h PRO 115 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1v1j h PRO 115 CO 0.59 0.31 0.00 0.27 -0.21 0.00 0.00 178.00 178.96 1v1j h PHE 116 N 0.48 0.00 -0.00 0.65 -5.15 -1.96 -1.28 116.94 109.67 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 1.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.30 1v1j h PHE 116 CO -0.00 0.00 -0.13 0.54 -2.00 0.00 0.00 178.31 176.72 1v1j n ARG 117 N -2.89 0.12 0.22 6.09 1.74 0.11 -3.99 116.66 118.06 1v1j n ARG 117 Ca 0.00 -0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.12 1v1j n ARG 117 Cb 0.25 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.70 1v1j n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1v1j h HIS 118 N 0.07 0.00 -3.02 -1.55 3.86 -1.27 -3.44 115.15 109.81 1v1j h HIS 118 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1v1j h HIS 118 Cb 0.46 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.82 1v1j h HIS 118 CO 0.00 0.24 -0.55 -1.58 0.86 0.00 0.00 177.93 176.90 1v1j s HIS 119 N -4.25 3.36 -0.08 2.45 5.65 -1.26 -4.95 115.29 116.22 1v1j s HIS 119 Ca -0.03 0.33 -0.00 0.00 0.25 0.00 0.00 55.06 55.61 1v1j s HIS 119 Cb 0.14 -1.88 0.02 0.00 -1.18 0.00 0.00 32.58 29.68 1v1j s HIS 119 CO 0.67 0.56 -0.04 0.45 -0.65 0.00 0.00 174.74 175.73 1v1j s SER 120 N -0.84 1.67 0.33 9.88 0.15 -1.26 -4.23 113.70 119.40 1v1j s SER 120 Ca 0.13 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1v1j s SER 120 Cb -0.12 -0.61 0.58 0.00 -1.71 0.00 0.00 66.02 64.17 1v1j s SER 120 CO 0.03 -0.12 1.83 1.88 1.20 0.00 0.00 173.24 178.06 1v1j h TYR 121 N 7.93 0.45 -0.09 3.44 -1.99 -1.55 -2.32 116.97 122.84 1v1j h TYR 121 Ca -0.28 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.32 1v1j h TYR 121 Cb 1.14 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1v1j h TYR 121 CO 0.48 0.54 -0.25 0.28 -0.00 0.00 0.00 178.16 179.22 1v1j h VAL 122 N 0.39 1.22 0.00 -2.88 2.07 -1.89 -2.84 116.25 112.32 1v1j h VAL 122 Ca 0.07 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1v1j h VAL 122 Cb 0.47 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1v1j h VAL 122 CO 0.03 0.31 -0.00 0.28 0.02 0.00 0.00 177.57 178.20 1v1j h SER 123 N 0.15 0.00 0.56 0.57 0.02 -1.78 -1.36 113.55 111.71 1v1j h SER 123 Ca 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1v1j h SER 123 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1v1j h SER 123 CO 0.04 0.00 -0.37 1.56 -1.14 0.00 0.00 176.83 176.92 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.65 -3.28 115.11 117.83 1v1j h GLN 124 Ca -0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1v1j h GLN 124 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1v1j h GLN 124 CO 0.00 0.37 -2.07 -2.13 -0.67 0.00 0.00 178.83 174.33 1v1j n ARG 125 N -3.81 1.19 -1.90 1.46 3.00 -0.66 -5.01 116.66 110.93 1v1j n ARG 125 Ca -0.01 -0.03 -0.41 0.00 -0.00 0.00 0.00 57.85 57.39 1v1j n ARG 125 Cb 0.44 -1.42 -0.01 0.00 0.00 0.00 0.00 32.46 31.47 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 -2.54 3.56 0.11 5.13 0.00 -0.60 -4.90 121.76 122.52 1v1j s ALA 126 Ca -0.08 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 1v1j s ALA 126 Cb 0.06 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1v1j s ALA 126 CO 0.68 -0.92 1.49 -0.44 0.00 0.00 0.00 175.76 176.58 1v1j h ASP 127 N 3.28 0.68 -4.71 0.00 3.32 -1.54 -3.45 116.42 114.00 1v1j h ASP 127 Ca -0.50 -0.39 -0.23 0.00 0.02 0.00 0.00 57.03 55.93 1v1j h ASP 127 Cb 1.23 -0.19 -0.17 0.00 0.22 0.00 0.00 39.33 40.43 1v1j h ASP 127 CO 0.66 0.91 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.55 1v1j s GLY 128 N -3.46 0.65 -0.04 2.75 0.00 -1.19 -5.06 107.32 100.97 1v1j s GLY 128 Ca -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1v1j s GLY 128 CO 0.80 -1.22 -0.01 0.14 0.00 0.00 0.00 173.10 172.81 1v1j s VAL 129 N -2.85 0.32 -0.09 1.40 1.01 -1.26 -1.08 120.40 117.85 1v1j s VAL 129 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1v1j s VAL 129 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1v1j s VAL 129 CO -0.03 0.20 -0.15 -0.69 0.00 0.00 0.00 175.10 174.42 1v1j s VAL 130 N 1.24 1.44 -0.01 2.92 1.01 -0.27 -4.98 120.40 121.74 1v1j s VAL 130 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1v1j s VAL 130 Cb -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1v1j s VAL 130 CO -0.02 0.43 -0.01 0.00 0.00 0.00 0.00 175.10 175.49 1v1j s ALA 131 N 0.78 0.17 -0.02 5.51 0.00 -1.26 -0.51 121.76 126.44 1v1j s ALA 131 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1v1j s ALA 131 Cb -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1v1j s ALA 131 CO 0.02 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1v1j n GLY 132 N 3.21 0.43 1.58 0.00 0.00 -0.76 -4.77 105.19 104.88 1v1j n GLY 132 Ca -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.02 0.95 0.17 0.00 0.00 -0.87 -2.51 105.19 102.91 1v1j n GLY 134 Ca 0.27 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.16 1.61 -1.51 -1.88 -1.89 116.25 112.42 1v1j h VAL 135 Ca 0.00 -0.40 0.05 0.00 -1.23 0.00 0.00 66.70 65.11 1v1j h VAL 135 Cb 0.00 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1v1j h VAL 135 CO 0.00 0.00 0.14 -0.61 -1.23 0.00 0.00 177.57 175.87 1v1j h GLN 136 N 0.00 0.00 -0.47 5.19 4.15 -1.93 -0.79 115.11 121.27 1v1j h GLN 136 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1v1j h GLN 136 Cb 0.51 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 1v1j h GLN 136 CO 0.00 0.00 0.32 0.78 -1.93 0.00 0.00 178.83 178.00 1v1j h GLY 137 N 0.00 0.40 1.78 2.39 0.00 -1.03 -0.39 103.07 106.23 1v1j h GLY 137 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1v1j h GLY 137 CO -0.00 0.09 -0.03 -0.97 0.00 0.00 0.00 176.54 175.63 1v1j h TYR 138 N 0.31 0.28 -0.16 5.60 -1.99 -1.33 -0.66 116.97 119.01 1v1j h TYR 138 Ca 0.21 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.82 1v1j h TYR 138 Cb 0.43 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1v1j h TYR 138 CO -0.00 0.32 -0.29 0.28 -0.00 0.00 0.00 178.16 178.47 1v1j h VAL 139 N 0.27 1.35 -0.76 -2.88 2.07 -1.19 -1.62 116.25 113.49 1v1j h VAL 139 Ca 0.06 -1.53 0.09 0.00 0.82 0.00 0.00 66.70 66.14 1v1j h VAL 139 Cb 0.24 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1v1j h VAL 139 CO 0.01 0.46 0.41 -0.26 0.02 0.00 0.00 177.57 178.21 1v1j h PHE 140 N 0.10 0.73 -0.64 1.57 0.05 -1.20 0.39 116.94 117.95 1v1j h PHE 140 Ca 0.01 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.83 1v1j h PHE 140 Cb 0.88 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.58 1v1j h PHE 140 CO 0.10 0.29 0.42 0.78 -0.18 0.00 0.00 178.31 179.71 1v1j h GLY 141 N 0.69 0.90 1.48 -1.45 0.00 -0.82 0.15 103.07 104.02 1v1j h GLY 141 Ca 0.37 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1v1j h GLY 141 CO -0.26 0.33 -0.22 -2.08 0.00 0.00 0.00 176.54 174.32 1v1j h VAL 142 N 0.87 1.26 -0.55 4.60 2.07 -0.29 -2.10 116.25 122.11 1v1j h VAL 142 Ca 0.23 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 1v1j h VAL 142 Cb -0.10 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1v1j h VAL 142 CO -0.05 0.41 -0.11 -0.08 0.02 0.00 0.00 177.57 177.77 1v1j h GLU 143 N 0.54 1.04 -0.28 1.57 4.57 -0.46 -1.16 114.58 120.40 1v1j h GLU 143 Ca 0.08 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 1v1j h GLU 143 Cb 0.67 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1v1j h GLU 143 CO 0.05 1.08 -0.34 -0.09 -1.18 0.00 0.00 179.01 178.53 1v1j h ARG 144 N 0.92 0.60 -0.40 1.92 9.65 -0.72 -2.48 114.38 123.87 1v1j h ARG 144 Ca 0.14 -0.28 -0.06 0.00 -1.10 0.00 0.00 59.98 58.68 1v1j h ARG 144 Cb 0.68 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1v1j h ARG 144 CO 0.05 0.86 -0.01 0.82 2.80 0.00 0.00 179.97 184.48 1v1j h ILE 145 N 0.51 1.22 -0.52 1.20 1.08 -1.13 -1.26 117.51 118.62 1v1j h ILE 145 Ca 0.06 -0.92 -0.04 0.00 -0.39 0.00 0.00 64.86 63.57 1v1j h ILE 145 Cb 0.83 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1v1j h ILE 145 CO 0.07 0.32 0.16 0.00 -0.69 0.00 0.00 178.15 178.01 1v1j h ALA 146 N 1.38 1.31 0.00 1.87 0.00 -0.91 0.98 119.26 123.89 1v1j h ALA 146 Ca 0.12 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1v1j h ALA 146 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1v1j h ALA 146 CO 0.02 0.50 -0.74 0.00 0.00 0.00 0.00 179.25 179.02 1v1j h ALA 147 N 1.43 0.58 0.09 0.00 0.00 -0.95 -1.94 119.26 118.47 1v1j h ALA 147 Ca 0.17 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1v1j h ALA 147 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1v1j h ALA 147 CO -0.01 0.93 -1.58 -0.07 0.00 0.00 0.00 179.25 178.52 1v1j h LEU 148 N 0.00 0.30 -0.38 0.00 3.38 -1.08 -3.32 115.31 114.22 1v1j h LEU 148 Ca -0.01 -0.46 -0.19 0.00 0.09 0.00 0.00 57.88 57.31 1v1j h LEU 148 Cb 1.49 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1v1j h LEU 148 CO 0.10 1.39 -0.72 0.00 0.09 0.00 0.00 178.44 179.30 1v1j h ALA 149 N 0.56 0.57 0.00 1.53 0.00 -0.86 -3.50 119.26 117.56 1v1j h ALA 149 Ca -0.25 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1v1j h ALA 149 Cb 2.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1v1j h ALA 149 CO 0.14 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.54