#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1j s ARG 2 N 0.00 3.48 0.41 0.54 0.52 -1.26 -5.12 118.95 117.52 1v1j s ARG 2 Ca 0.00 -0.46 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1v1j s ARG 2 Cb 0.00 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 1v1j s ARG 2 CO 0.00 0.46 0.45 -1.54 0.02 0.00 0.00 175.30 174.69 1v1j s SER 3 N -3.18 5.34 0.65 0.23 1.04 -1.26 -4.75 113.70 111.77 1v1j s SER 3 Ca 0.36 -0.57 0.36 0.00 0.48 0.00 0.00 55.95 56.58 1v1j s SER 3 Cb -0.11 -0.67 1.96 0.00 0.10 0.00 0.00 66.02 67.30 1v1j s SER 3 CO 0.29 -0.66 2.14 -0.07 0.98 0.00 0.00 173.24 175.92 1v1j h LEU 4 N 0.90 0.00 0.00 2.42 4.07 -1.87 -1.53 115.31 119.30 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 0.53 0.00 -1.10 0.00 -1.08 0.00 0.00 178.44 176.79 1v1j h ALA 5 N 1.69 0.65 0.00 1.53 0.00 -1.92 -3.37 119.26 117.84 1v1j h ALA 5 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1v1j h ALA 5 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v1j h ALA 5 CO -0.00 0.78 -1.14 0.09 0.00 0.00 0.00 179.25 178.98 1v1j n ASN 6 N -2.99 0.58 -3.57 0.00 3.02 -0.61 -4.97 115.26 106.72 1v1j n ASN 6 Ca -0.05 -0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.24 1v1j n ASN 6 Cb 0.79 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.79 1v1j n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v1j s ALA 7 N -3.26 -1.79 0.78 5.41 0.00 -1.02 -4.93 121.76 116.95 1v1j s ALA 7 Ca 0.02 1.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 1v1j s ALA 7 Cb 0.14 -0.52 0.06 0.00 0.00 0.00 0.00 23.12 22.79 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 -0.57 2.22 -0.05 0.00 0.04 -1.26 -4.37 135.00 131.01 1v1j s PRO 8 Ca -0.06 0.73 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 1v1j s PRO 8 Cb -0.02 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1v1j s PRO 8 CO 0.06 -1.55 0.71 0.42 0.04 0.00 0.00 177.00 176.68 1v1j s ILE 9 N -3.11 5.01 -0.12 0.56 1.01 0.32 -1.28 121.20 123.59 1v1j s ILE 9 Ca 0.60 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 62.55 1v1j s ILE 9 Cb -0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1v1j s ILE 9 CO 0.55 0.26 0.46 -0.32 0.00 0.00 0.00 174.94 175.89 1v1j s MET 10 N 0.70 4.32 -0.29 2.79 -2.45 -0.75 -0.99 119.30 122.64 1v1j s MET 10 Ca 0.38 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 55.25 1v1j s MET 10 Cb -0.18 -3.43 0.06 0.00 1.25 0.00 0.00 34.83 32.53 1v1j s MET 10 CO 0.19 0.18 -0.05 0.42 1.05 0.00 0.00 175.02 176.81 1v1j s ILE 11 N 0.57 2.47 -0.15 10.11 -1.09 -0.10 -1.16 121.20 131.84 1v1j s ILE 11 Ca 0.25 -1.65 -0.08 0.00 -2.23 0.00 0.00 60.65 56.94 1v1j s ILE 11 Cb -0.15 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1v1j s ILE 11 CO 0.10 -0.14 0.11 -0.76 -1.23 0.00 0.00 174.94 173.02 1v1j s LEU 12 N 1.13 4.18 -0.06 2.97 1.43 -0.10 -1.09 118.68 127.13 1v1j s LEU 12 Ca -0.05 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1v1j s LEU 12 Cb -0.20 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1v1j s LEU 12 CO -0.04 0.30 -0.20 0.20 0.23 0.00 0.00 176.35 176.83 1v1j s ASN 13 N -0.35 2.59 0.21 2.29 0.01 -0.06 -0.88 114.94 118.74 1v1j s ASN 13 Ca 0.11 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1v1j s ASN 13 Cb -0.12 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.67 1v1j s ASN 13 CO 0.01 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1v1j n GLY 14 N 3.24 0.18 3.72 0.66 0.00 0.68 -1.43 105.19 112.23 1v1j n GLY 14 Ca -0.19 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.14 2.04 0.00 1.61 0.04 -0.96 -3.12 135.00 134.46 1v1j s PRO 15 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1v1j s PRO 15 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1v1j s PRO 15 CO 0.00 -1.90 0.00 0.09 0.04 0.00 0.00 177.00 175.23 1v1j n ASN 16 N -2.90 0.00 0.20 6.66 3.02 -1.26 -4.61 115.26 116.37 1v1j n ASN 16 Ca 0.13 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1v1j n ASN 16 Cb 0.51 -2.16 0.44 0.00 -0.61 0.00 0.00 39.78 37.96 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 -2.31 3.41 3.38 -1.91 -1.85 115.31 116.03 1v1j h LEU 17 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1v1j h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1v1j h LEU 17 CO 0.00 0.00 0.20 -0.55 0.09 0.00 0.00 178.44 178.18 1v1j h ASN 18 N 0.00 0.00 -0.50 -0.43 -1.07 -1.87 -0.70 115.58 111.00 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 0.67 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.92 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 -3.52 3.45 -4.63 6.14 4.77 -0.69 -4.81 117.00 117.71 1v1j n LEU 19 Ca 0.00 -1.74 -0.45 0.00 -0.03 0.00 0.00 56.01 53.80 1v1j n LEU 19 Cb 0.30 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1v1j n LEU 19 CO 0.24 0.66 0.78 -0.11 -1.33 0.00 0.00 177.39 177.62 1v1j n LEU 20 N 0.88 2.46 0.00 2.23 7.94 -0.27 -2.16 117.00 128.08 1v1j n LEU 20 Ca 0.19 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1v1j n LEU 20 Cb 0.63 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1v1j n LEU 20 CO 0.16 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.10 1v1j n GLY 21 N 1.49 0.55 0.00 -3.96 0.00 -1.05 -4.17 105.19 98.05 1v1j n GLY 21 Ca 0.10 -0.05 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 -2.89 -0.08 -3.56 1.61 6.02 -0.92 -4.76 117.38 112.82 1v1j n GLN 22 Ca 0.00 -0.54 -0.15 0.00 -0.01 0.00 0.00 57.00 56.30 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 -0.16 0.90 -1.32 -1.09 3.03 -1.26 -4.98 118.95 114.08 1v1j s ARG 23 Ca 0.00 0.39 -0.10 0.00 2.03 0.00 0.00 55.73 58.04 1v1j s ARG 23 Cb 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.35 1v1j s ARG 23 CO 0.00 -0.25 0.52 1.04 -1.13 0.00 0.00 175.30 175.49 1v1j n GLN 24 N 1.26 -2.15 -0.33 3.89 6.02 -1.26 -4.67 117.38 120.15 1v1j n GLN 24 Ca -0.16 0.35 -0.03 0.00 -0.01 0.00 0.00 57.00 57.15 1v1j n GLN 24 Cb 0.57 -4.10 0.09 0.00 1.02 0.00 0.00 30.24 27.82 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 -1.95 1.17 -0.20 -1.09 0.13 -1.94 0.28 132.00 128.41 1v1j h PRO 25 Ca -0.65 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.45 1v1j h PRO 25 Cb 1.38 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1v1j h PRO 25 CO 0.58 0.79 0.30 0.93 -0.23 0.00 0.00 178.00 180.37 1v1j h GLU 26 N 1.20 0.00 0.00 0.86 3.07 -1.89 2.29 114.58 120.12 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 -0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.73 1v1j h GLU 26 CO -0.07 0.00 -2.41 -0.89 -1.40 0.00 0.00 179.01 174.25 1v1j n ILE 27 N -3.50 1.53 0.64 3.13 5.41 -0.35 -4.71 119.36 121.52 1v1j n ILE 27 Ca 0.02 -0.39 0.07 0.00 1.00 0.00 0.00 62.75 63.45 1v1j n ILE 27 Cb 0.42 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.44 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 -4.11 0.00 -0.52 1.39 4.02 0.85 -4.43 117.16 114.36 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 0.89 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 1.34 -3.00 0.43 2.72 0.00 0.77 -4.73 105.19 102.72 1v1j n GLY 29 Ca 0.02 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.23 1v1j n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v1j n SER 30 N -0.16 2.53 -4.81 1.61 3.41 -1.26 -4.03 113.62 110.92 1v1j n SER 30 Ca 0.00 -1.93 -0.34 0.00 -0.26 0.00 0.00 58.87 56.34 1v1j n SER 30 Cb 0.00 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 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 6.98 0.61 4.04 1.01 -1.26 -4.71 116.67 122.37 1v1j s ASP 31 Ca 0.15 1.74 0.05 0.00 0.71 0.00 0.00 52.55 55.20 1v1j s ASP 31 Cb 0.08 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.55 1v1j s ASP 31 CO 0.11 -0.33 0.85 0.42 0.21 0.00 0.00 175.17 176.42 1v1j s THR 32 N -2.06 2.28 0.30 -1.27 -4.23 -1.26 -2.54 115.64 106.86 1v1j s THR 32 Ca 0.60 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1v1j s THR 32 Cb -0.11 -2.46 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1v1j s THR 32 CO 0.16 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.24 1v1j h LEU 33 N -0.05 0.42 -1.06 4.79 5.85 -1.84 -1.37 115.31 122.05 1v1j h LEU 33 Ca -0.34 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1v1j h LEU 33 Cb 1.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1v1j h LEU 33 CO 0.42 0.66 0.31 0.00 -0.34 0.00 0.00 178.44 179.49 1v1j h ALA 34 N 1.38 1.26 -0.57 1.25 0.00 -1.94 0.83 119.26 121.47 1v1j h ALA 34 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1v1j h ALA 34 Cb 0.62 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1v1j h ALA 34 CO 0.04 0.56 0.25 -0.44 0.00 0.00 0.00 179.25 179.66 1v1j h ASP 35 N 0.97 0.74 -0.19 0.00 3.32 -1.65 -1.55 116.42 118.06 1v1j h ASP 35 Ca 0.24 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1v1j h ASP 35 Cb 0.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1v1j h ASP 35 CO -0.03 0.65 -0.46 0.58 -1.72 0.00 0.00 179.24 178.26 1v1j h VAL 36 N 0.81 1.32 -0.79 -1.35 2.07 -0.71 -1.63 116.25 115.98 1v1j h VAL 36 Ca 0.20 -1.69 0.09 0.00 0.82 0.00 0.00 66.70 66.11 1v1j h VAL 36 Cb 0.12 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1v1j h VAL 36 CO -0.02 0.53 0.45 -0.08 0.02 0.00 0.00 177.57 178.46 1v1j h GLU 37 N 0.33 0.75 -0.36 1.57 4.81 -0.48 -0.10 114.58 121.11 1v1j h GLU 37 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1v1j h GLU 37 Cb 1.07 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1v1j h GLU 37 CO 0.10 0.49 -0.05 0.00 -0.73 0.00 0.00 179.01 178.83 1v1j h ALA 38 N 1.43 1.25 -0.64 2.92 0.00 -0.99 0.11 119.26 123.34 1v1j h ALA 38 Ca 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1v1j h ALA 38 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1v1j h ALA 38 CO -0.23 0.49 0.16 -0.07 0.00 0.00 0.00 179.25 179.61 1v1j h LEU 39 N 0.55 0.96 -0.50 0.00 3.38 -0.22 -2.07 115.31 117.40 1v1j h LEU 39 Ca 0.11 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1v1j h LEU 39 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1v1j h LEU 39 CO 0.02 0.94 -0.29 0.00 0.09 0.00 0.00 178.44 179.20 1v1j h VAL 41 N 0.77 1.22 -0.19 0.00 2.07 -0.58 -0.01 116.25 119.53 1v1j h VAL 41 Ca 0.09 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1v1j h VAL 41 Cb 0.86 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1v1j h VAL 41 CO 0.08 0.24 0.01 0.50 0.02 0.00 0.00 177.57 178.42 1v1j h LYS 42 N 1.00 0.33 -0.79 1.57 3.64 -1.25 -1.70 116.57 119.38 1v1j h LYS 42 Ca 0.26 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1v1j h LYS 42 Cb 0.04 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1v1j h LYS 42 CO -0.04 0.52 0.48 0.00 -2.27 0.00 0.00 179.45 178.14 1v1j h ALA 43 N 0.80 1.00 -0.10 5.00 0.00 -0.95 -2.52 119.26 122.49 1v1j h ALA 43 Ca 0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1v1j h ALA 43 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1v1j h ALA 43 CO 0.01 0.46 -0.57 0.00 0.00 0.00 0.00 179.25 179.15 1v1j h ALA 44 N 1.26 0.84 -0.22 0.00 0.00 -0.91 -2.89 119.26 117.33 1v1j h ALA 44 Ca 0.28 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1v1j h ALA 44 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1v1j h ALA 44 CO -0.05 0.70 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 1v1j h ALA 45 N 1.15 1.30 0.00 0.00 0.00 -0.90 0.62 119.26 121.44 1v1j h ALA 45 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1v1j h ALA 45 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1v1j h ALA 45 CO 0.09 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1v1j h ALA 46 N 1.48 1.00 -0.12 0.00 0.00 -1.24 0.16 119.26 120.54 1v1j h ALA 46 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1v1j h ALA 46 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v1j h ALA 46 CO 0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1v1j n HIS 47 N -2.64 0.15 -0.33 0.00 8.25 -0.40 -4.96 115.22 115.29 1v1j n HIS 47 Ca -0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1v1j n HIS 47 Cb 0.08 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.71 0.81 2.44 -1.41 0.00 0.04 -4.93 105.19 102.85 1v1j n GLY 48 Ca 0.09 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.33 3.70 3.28 -0.02 0.00 0.07 -4.55 105.19 105.35 1v1j n GLY 49 Ca 0.00 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.34 0.57 0.16 2.61 -4.23 -1.26 -3.49 115.64 107.67 1v1j s THR 50 Ca 0.03 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1v1j s THR 50 Cb 0.00 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1v1j s THR 50 CO 0.02 -0.17 -0.11 0.68 -0.54 0.00 0.00 174.62 174.50 1v1j s VAL 51 N -3.74 1.33 -0.25 2.29 -7.23 -1.26 -0.52 120.40 111.02 1v1j s VAL 51 Ca 0.33 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1v1j s VAL 51 Cb 0.07 -1.88 0.08 0.00 0.56 0.00 0.00 36.38 35.20 1v1j s VAL 51 CO 0.10 -0.69 0.04 -0.62 -0.31 0.00 0.00 175.10 173.62 1v1j s ASP 52 N -3.17 3.54 -0.21 4.85 -1.08 -0.16 -4.87 116.67 115.57 1v1j s ASP 52 Ca 0.18 -1.22 -0.06 0.00 -0.52 0.00 0.00 52.55 50.94 1v1j s ASP 52 Cb 0.01 -0.83 -0.02 0.00 -1.46 0.00 0.00 42.92 40.62 1v1j s ASP 52 CO 0.02 -0.33 0.01 0.12 0.52 0.00 0.00 175.17 175.51 1v1j s PHE 53 N 1.66 3.05 0.07 -5.34 5.36 -1.26 -0.93 117.98 120.59 1v1j s PHE 53 Ca 0.02 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 1v1j s PHE 53 Cb -0.18 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1v1j s PHE 53 CO -0.14 -0.29 -0.08 1.03 -1.46 0.00 0.00 175.22 174.29 1v1j s ARG 54 N 1.17 0.68 -0.01 10.12 0.52 -0.25 -4.98 118.95 126.20 1v1j s ARG 54 Ca 0.03 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.23 1v1j s ARG 54 Cb -0.14 -0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.04 1v1j s ARG 54 CO 0.02 0.03 -0.07 -1.14 0.02 0.00 0.00 175.30 174.15 1v1j s GLN 55 N -2.60 0.66 0.03 3.54 -0.44 -1.26 -0.88 119.66 118.71 1v1j s GLN 55 Ca 0.00 -0.26 -0.10 0.00 -2.50 0.00 0.00 55.36 52.51 1v1j s GLN 55 Cb -0.03 -0.64 0.01 0.00 -1.64 0.00 0.00 33.01 30.71 1v1j s GLN 55 CO -0.02 0.13 0.20 0.45 0.50 0.00 0.00 175.29 176.56 1v1j s SER 56 N -0.04 0.01 0.00 6.67 0.15 -0.52 -4.97 113.70 115.00 1v1j s SER 56 Ca 0.01 -0.32 0.22 0.00 0.70 0.00 0.00 55.95 56.57 1v1j s SER 56 Cb -0.05 0.29 0.25 0.00 -1.71 0.00 0.00 66.02 64.80 1v1j s SER 56 CO -0.00 -0.54 1.26 0.59 1.20 0.00 0.00 173.24 175.75 1v1j n ASN 57 N 0.78 3.04 -4.43 5.45 3.02 -1.26 -2.27 115.26 119.59 1v1j n ASN 57 Ca -0.19 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.05 1v1j n ASN 57 Cb 0.58 -0.08 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.74 3.06 0.18 3.10 3.76 -1.26 -4.75 115.29 117.64 1v1j s HIS 58 Ca 0.30 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 1v1j s HIS 58 Cb 0.20 -2.19 0.17 0.00 1.11 0.00 0.00 32.58 31.87 1v1j s HIS 58 CO 0.29 -0.36 1.72 1.49 -0.85 0.00 0.00 174.74 177.03 1v1j h GLU 59 N 8.08 0.25 0.00 1.40 4.81 -2.00 -1.61 114.58 125.50 1v1j h GLU 59 Ca -0.38 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 1v1j h GLU 59 Cb 1.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1v1j h GLU 59 CO 0.59 0.16 -0.34 0.78 -0.73 0.00 0.00 179.01 179.47 1v1j h GLY 60 N 0.25 0.00 1.35 1.92 0.00 -1.99 -0.57 103.07 104.03 1v1j h GLY 60 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 1v1j h GLY 60 CO -0.30 0.00 -0.72 -2.09 0.00 0.00 0.00 176.54 173.43 1v1j h GLU 61 N 0.00 0.65 -0.76 4.80 4.81 -1.84 -0.94 114.58 121.30 1v1j h GLU 61 Ca -0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1v1j h GLU 61 Cb 0.63 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1v1j h GLU 61 CO 0.04 1.13 0.38 -0.07 -0.73 0.00 0.00 179.01 179.76 1v1j h LEU 62 N 0.45 0.97 -0.17 1.64 3.38 -0.34 0.46 115.31 121.70 1v1j h LEU 62 Ca -0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1v1j h LEU 62 Cb 1.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1v1j h LEU 62 CO 0.14 0.81 0.10 0.58 0.09 0.00 0.00 178.44 180.16 1v1j h VAL 63 N 1.07 1.09 -0.72 1.22 2.07 -0.81 0.18 116.25 120.35 1v1j h VAL 63 Ca 0.26 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1v1j h VAL 63 Cb 0.09 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1v1j h VAL 63 CO -0.04 0.08 0.45 0.44 0.02 0.00 0.00 177.57 178.52 1v1j h ASP 64 N 0.19 0.72 -0.03 0.57 3.32 -0.68 -0.74 116.42 119.77 1v1j h ASP 64 Ca 0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1v1j h ASP 64 Cb 0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1v1j h ASP 64 CO -0.01 0.49 -0.14 -0.50 -1.72 0.00 0.00 179.24 177.36 1v1j h TRP 65 N 0.86 0.37 -0.58 4.55 6.55 -0.35 -2.13 115.95 125.22 1v1j h TRP 65 Ca 0.30 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 60.01 1v1j h TRP 65 Cb 0.05 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 28.23 1v1j h TRP 65 CO -0.04 0.48 0.05 0.82 -1.05 0.00 0.00 178.44 178.70 1v1j h ILE 66 N 0.33 1.25 -0.75 1.49 2.04 0.43 -1.31 117.51 120.98 1v1j h ILE 66 Ca 0.06 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1v1j h ILE 66 Cb 0.45 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1v1j h ILE 66 CO 0.03 0.37 0.43 0.45 0.00 0.00 0.00 178.15 179.43 1v1j h HIS 67 N 0.90 1.01 -0.44 1.37 3.86 -0.64 -1.84 115.15 119.37 1v1j h HIS 67 Ca 0.17 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1v1j h HIS 67 Cb 0.45 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1v1j h HIS 67 CO 0.03 0.69 -0.19 1.49 0.86 0.00 0.00 177.93 180.81 1v1j h GLU 68 N 1.05 0.85 0.00 2.45 4.81 -1.00 -2.66 114.58 120.08 1v1j h GLU 68 Ca 0.27 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1v1j h GLU 68 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1v1j h GLU 68 CO -0.05 0.97 -0.25 0.00 -0.73 0.00 0.00 179.01 178.95 1v1j h ALA 69 N 1.04 1.57 0.00 2.92 0.00 -0.41 -1.12 119.26 123.26 1v1j h ALA 69 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1v1j h ALA 69 Cb 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1v1j h ALA 69 CO 0.05 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.56 1v1j h ARG 70 N 0.00 0.00 0.00 0.00 3.08 -1.11 -2.02 114.38 114.33 1v1j h ARG 70 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 1v1j h ARG 70 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1v1j h ARG 70 CO 0.03 0.06 -2.30 1.28 -1.07 0.00 0.00 179.97 177.97 1v1j n LEU 71 N -4.08 0.02 0.00 3.04 4.77 -0.50 -4.76 117.00 115.48 1v1j n LEU 71 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1v1j n LEU 71 Cb 0.15 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1v1j n LEU 71 CO 0.31 0.41 0.20 0.59 -1.33 0.00 0.00 177.39 177.58 1v1j n ASN 72 N -2.67 0.81 -4.40 -1.43 3.02 -0.76 -5.08 115.26 104.76 1v1j n ASN 72 Ca -0.28 -0.93 -0.20 0.00 -0.03 0.00 0.00 54.58 53.15 1v1j n ASN 72 Cb 1.05 0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 40.26 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 -0.14 1.83 -1.64 3.10 3.76 -0.77 -4.31 115.29 117.12 1v1j s HIS 73 Ca 0.00 -0.90 0.22 0.00 -0.15 0.00 0.00 55.06 54.23 1v1j s HIS 73 Cb 0.00 -1.12 -0.08 0.00 1.11 0.00 0.00 32.58 32.49 1v1j s HIS 73 CO 0.00 0.04 1.03 0.00 -0.85 0.00 0.00 174.74 174.96 1v1j n GLY 75 N 1.45 0.28 2.99 0.00 0.00 -1.26 -4.42 105.19 104.23 1v1j n GLY 75 Ca 0.07 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 1.04 -0.22 -0.61 1.01 -0.15 -1.81 121.20 118.46 1v1j s ILE 76 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1v1j s ILE 76 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1v1j s ILE 76 CO 0.00 0.34 0.08 -0.69 0.00 0.00 0.00 174.94 174.67 1v1j s VAL 77 N 0.87 4.64 -0.03 2.92 1.01 -0.31 -0.97 120.40 128.54 1v1j s VAL 77 Ca -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1v1j s VAL 77 Cb -0.15 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1v1j s VAL 77 CO 0.01 0.39 -0.05 -0.51 0.00 0.00 0.00 175.10 174.94 1v1j s ILE 78 N 1.03 0.54 -0.53 2.22 2.07 -0.04 -0.92 121.20 125.56 1v1j s ILE 78 Ca 0.04 -0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1v1j s ILE 78 Cb -0.14 -0.54 0.14 0.00 0.13 0.00 0.00 42.46 42.05 1v1j s ILE 78 CO 0.03 0.21 0.33 0.21 -1.91 0.00 0.00 174.94 173.81 1v1j s ASN 79 N 0.66 5.10 0.00 4.50 3.84 -0.06 -0.82 114.94 128.16 1v1j s ASN 79 Ca -0.09 -2.60 0.27 0.00 0.21 0.00 0.00 52.86 50.65 1v1j s ASN 79 Cb -0.12 -1.81 1.60 0.00 -0.55 0.00 0.00 41.25 40.38 1v1j s ASN 79 CO 0.00 -0.40 1.96 -2.65 -2.79 0.00 0.00 177.10 173.22 1v1j n PRO 80 N 3.80 0.86 0.00 0.43 -0.02 -1.26 -0.23 135.00 138.58 1v1j n PRO 80 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1v1j n PRO 80 Cb 0.38 -1.49 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 -0.99 0.00 0.23 3.55 0.00 -1.26 -1.91 120.51 120.14 1v1j n ALA 81 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1v1j n ALA 81 Cb 0.09 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.15 1.99 0.00 0.00 0.00 -1.93 0.18 119.26 119.35 1v1j h ALA 82 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.00 1.88 0.00 0.00 0.00 179.25 181.13 1v1j h TYR 83 N 0.04 0.00 -0.94 0.00 0.99 -1.78 -2.19 116.97 113.08 1v1j h TYR 83 Ca 0.02 0.00 0.27 0.00 2.00 0.00 0.00 58.73 61.02 1v1j h TYR 83 Cb 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 37.61 1v1j h TYR 83 CO -0.00 0.00 0.42 0.77 -0.00 0.00 0.00 178.16 179.35 1v1j h SER 84 N 0.00 0.29 0.55 3.88 0.02 -0.59 -0.34 113.55 117.36 1v1j h SER 84 Ca -0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1v1j h SER 84 Cb 0.31 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1v1j h SER 84 CO 0.00 -0.12 -0.60 1.41 -1.14 0.00 0.00 176.83 176.38 1v1j n HIS 85 N -5.12 0.15 0.00 3.45 8.25 -0.83 -1.47 115.22 119.65 1v1j n HIS 85 Ca 0.26 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1v1j n HIS 85 Cb 0.82 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.68 0.00 -3.38 1.59 -2.24 -0.90 -4.83 114.28 102.83 1v1j n THR 86 Ca 0.05 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.21 1v1j n THR 86 Cb 0.37 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1v1j n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v1j s SER 87 N -1.06 6.06 0.47 3.42 0.15 -0.19 -4.82 113.70 117.74 1v1j s SER 87 Ca 0.00 -1.87 0.26 0.00 0.70 0.00 0.00 55.95 55.04 1v1j s SER 87 Cb 0.00 -2.15 1.10 0.00 -1.71 0.00 0.00 66.02 63.26 1v1j s SER 87 CO 0.00 -0.80 1.90 0.58 1.20 0.00 0.00 173.24 176.13 1v1j h VAL 88 N 5.91 0.48 -0.33 4.45 2.07 -1.95 -3.12 116.25 123.75 1v1j h VAL 88 Ca -0.26 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 1v1j h VAL 88 Cb 1.09 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1v1j h VAL 88 CO 0.97 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 178.60 1v1j h ALA 89 N 1.82 1.15 -0.15 1.67 0.00 -1.97 -0.95 119.26 120.84 1v1j h ALA 89 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 1v1j h ALA 89 Cb 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1v1j h ALA 89 CO 0.02 0.54 -0.77 0.82 0.00 0.00 0.00 179.25 179.86 1v1j h ILE 90 N 0.53 1.29 -0.16 0.00 2.04 -1.91 -2.02 117.51 117.27 1v1j h ILE 90 Ca 0.09 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 64.01 1v1j h ILE 90 Cb 0.54 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1v1j h ILE 90 CO 0.03 0.63 -0.09 0.25 0.00 0.00 0.00 178.15 178.97 1v1j h LEU 91 N 0.52 -0.29 -1.36 1.44 5.85 -1.47 0.09 115.31 120.08 1v1j h LEU 91 Ca -0.05 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1v1j h LEU 91 Cb 1.39 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1v1j h LEU 91 CO 0.16 -0.12 -0.32 0.44 -0.34 0.00 0.00 178.44 178.26 1v1j h ASP 92 N -0.08 0.00 -0.22 1.25 3.32 -1.11 0.52 116.42 120.11 1v1j h ASP 92 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1v1j h ASP 92 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1v1j h ASP 92 CO -0.21 0.32 -0.09 0.00 -1.72 0.00 0.00 179.24 177.54 1v1j h ALA 93 N 1.68 0.30 0.00 3.45 0.00 -0.77 -2.78 119.26 121.14 1v1j h ALA 93 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1v1j h ALA 93 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1v1j h ALA 93 CO 0.04 0.13 -0.10 -0.07 0.00 0.00 0.00 179.25 179.25 1v1j h LEU 94 N 0.15 0.00 -0.31 0.00 3.38 -0.16 -0.82 115.31 117.55 1v1j h LEU 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1v1j h LEU 94 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1v1j h LEU 94 CO 0.03 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.25 1v1j n ASN 95 N -3.96 0.49 -0.01 -0.43 5.03 0.10 -1.98 115.26 114.50 1v1j n ASN 95 Ca -0.02 0.59 0.12 0.00 0.87 0.00 0.00 54.58 56.14 1v1j n ASN 95 Cb 0.19 -0.71 0.33 0.00 -1.02 0.00 0.00 39.78 38.57 1v1j n ASN 95 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1v1j n THR 96 N -2.01 0.00 -1.74 3.41 -2.24 -0.32 -4.42 114.28 106.96 1v1j n THR 96 Ca 0.04 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1v1j n THR 96 Cb 0.28 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1v1j n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v1j s ASP 98 N 1.87 6.49 0.00 0.00 1.01 -1.26 -1.94 116.67 122.84 1v1j s ASP 98 Ca 0.55 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.43 1v1j s ASP 98 Cb 0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1v1j s ASP 98 CO -0.06 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 174.92 1v1j n GLY 99 N 4.35 2.11 3.72 0.21 0.00 -1.26 -4.97 105.19 109.35 1v1j n GLY 99 Ca 0.19 0.00 -0.41 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 4.42 0.10 0.99 2.96 -0.82 -4.99 118.68 121.35 1v1j s LEU 100 Ca 0.00 1.63 -0.31 0.00 -0.22 0.00 0.00 54.13 55.23 1v1j s LEU 100 Cb 0.00 -3.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1v1j s LEU 100 CO 0.00 -0.14 1.26 -2.84 -1.32 0.00 0.00 176.35 173.31 1v1j s PRO 101 N 0.47 4.41 -0.09 0.98 0.02 -1.26 -4.93 135.00 134.60 1v1j s PRO 101 Ca 0.47 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.39 1v1j s PRO 101 Cb -0.21 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 31.03 1v1j s PRO 101 CO 0.27 -0.28 -0.14 0.08 -0.33 0.00 0.00 177.00 176.60 1v1j s VAL 102 N 0.84 1.35 -0.13 3.83 1.01 -1.26 -0.98 120.40 125.07 1v1j s VAL 102 Ca 0.59 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1v1j s VAL 102 Cb -0.32 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1v1j s VAL 102 CO 0.31 0.41 -0.20 -0.69 0.00 0.00 0.00 175.10 174.93 1v1j s VAL 103 N 0.85 1.87 -0.04 2.92 1.01 -0.14 -0.72 120.40 126.15 1v1j s VAL 103 Ca -0.10 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1v1j s VAL 103 Cb -0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1v1j s VAL 103 CO 0.01 0.51 0.59 -0.70 0.00 0.00 0.00 175.10 175.52 1v1j s GLU 104 N 0.82 4.34 -0.03 2.72 2.12 -0.27 -0.86 118.70 127.54 1v1j s GLU 104 Ca -0.08 0.70 0.04 0.00 0.36 0.00 0.00 54.97 55.99 1v1j s GLU 104 Cb -0.16 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1v1j s GLU 104 CO -0.01 0.26 -0.17 0.08 -0.54 0.00 0.00 175.26 174.88 1v1j s VAL 105 N 0.20 1.37 -0.04 3.70 1.01 -0.00 -1.01 120.40 125.62 1v1j s VAL 105 Ca 0.31 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1v1j s VAL 105 Cb -0.17 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1v1j s VAL 105 CO 0.16 0.39 -0.11 -1.00 0.00 0.00 0.00 175.10 174.54 1v1j s HIS 106 N -0.08 1.24 -0.03 5.22 3.76 0.00 -4.09 115.29 121.31 1v1j s HIS 106 Ca -0.01 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.28 1v1j s HIS 106 Cb -0.10 -0.89 -0.21 0.00 1.11 0.00 0.00 32.58 32.50 1v1j s HIS 106 CO 0.01 -0.17 1.18 0.82 -0.85 0.00 0.00 174.74 175.73 1v1j h ILE 107 N 5.60 1.46 -3.93 0.60 2.04 -1.86 -1.46 117.51 119.96 1v1j h ILE 107 Ca -0.33 -1.45 -0.49 0.00 1.00 0.00 0.00 64.86 63.60 1v1j h ILE 107 Cb 1.17 2.37 0.06 0.00 -0.74 0.00 0.00 36.82 39.69 1v1j h ILE 107 CO 0.48 0.39 0.25 -0.94 0.00 0.00 0.00 178.15 178.33 1v1j s SER 108 N -5.92 5.74 -0.71 1.72 1.04 -1.26 -2.24 113.70 112.07 1v1j s SER 108 Ca -0.16 0.94 -0.20 0.00 0.48 0.00 0.00 55.95 57.01 1v1j s SER 108 Cb 0.01 -1.94 0.11 0.00 0.10 0.00 0.00 66.02 64.30 1v1j s SER 108 CO 0.70 -1.03 0.89 0.21 0.98 0.00 0.00 173.24 174.99 1v1j s ASN 109 N -4.27 6.33 0.64 7.02 3.84 -1.26 -2.12 114.94 125.12 1v1j s ASN 109 Ca 0.54 -1.55 0.39 0.00 0.21 0.00 0.00 52.86 52.46 1v1j s ASN 109 Cb -0.11 -2.35 2.20 0.00 -0.55 0.00 0.00 41.25 40.44 1v1j s ASN 109 CO 0.48 -1.16 2.31 0.16 -2.79 0.00 0.00 177.10 176.09 1v1j h ILE 110 N 5.84 0.16 0.00 -5.21 3.07 -1.91 -1.80 117.51 117.65 1v1j h ILE 110 Ca -0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.26 1v1j h ILE 110 Cb 1.06 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1v1j h ILE 110 CO 1.10 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.61 1v1j n HIS 111 N -3.31 0.04 -0.19 0.16 8.25 -1.26 -1.78 115.22 117.13 1v1j n HIS 111 Ca -0.03 0.01 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1v1j n HIS 111 Cb 0.10 -0.52 0.28 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.53 2.67 0.00 -0.41 6.02 -0.68 -4.98 117.38 118.47 1v1j n GLN 112 Ca 0.06 -2.49 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 1v1j n GLN 112 Cb 0.30 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 3.74 -1.71 -1.09 1.74 -0.73 -5.06 116.66 115.01 1v1j n ARG 113 Ca 0.22 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.90 1v1j n ARG 113 Cb 0.59 0.00 0.04 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 1.61 -0.23 5.56 4.71 -1.26 -4.87 120.64 126.15 1v1j n GLU 114 Ca 0.00 0.59 0.17 0.00 -0.01 0.00 0.00 57.16 57.91 1v1j n GLU 114 Cb 0.00 -2.44 0.49 0.00 -1.01 0.00 0.00 31.44 28.48 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 1.44 0.44 0.00 3.49 0.11 -1.96 -0.75 132.00 134.76 1v1j h PRO 115 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1v1j h PRO 115 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1v1j h PRO 115 CO 0.57 0.29 0.00 1.97 -0.21 0.00 0.00 178.00 180.62 1v1j n PHE 116 N -4.51 0.86 1.09 0.65 1.16 -1.26 -0.97 117.46 114.48 1v1j n PHE 116 Ca 0.18 0.35 0.13 0.00 -1.87 0.00 0.00 57.45 56.23 1v1j n PHE 116 Cb 0.63 -1.06 0.38 0.00 -1.61 0.00 0.00 39.48 37.82 1v1j n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1v1j n ARG 117 N -2.29 0.23 0.23 3.97 1.74 -0.29 -4.10 116.66 116.15 1v1j n ARG 117 Ca 0.02 -0.11 0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1v1j n ARG 117 Cb 0.22 -1.50 0.54 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 0.27 0.00 -3.29 -1.55 3.86 -1.10 -3.44 115.15 109.91 1v1j h HIS 118 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 1v1j h HIS 118 Cb 0.48 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.80 1v1j h HIS 118 CO 0.00 0.20 -0.61 -1.58 0.86 0.00 0.00 177.93 176.80 1v1j s HIS 119 N -3.82 3.18 -0.07 2.45 5.65 -1.26 -4.96 115.29 116.46 1v1j s HIS 119 Ca -0.01 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.49 1v1j s HIS 119 Cb 0.11 -1.81 0.02 0.00 -1.18 0.00 0.00 32.58 29.72 1v1j s HIS 119 CO 0.62 0.45 -0.05 0.45 -0.65 0.00 0.00 174.74 175.57 1v1j s SER 120 N -0.80 1.60 0.34 9.88 0.15 -1.26 -4.25 113.70 119.36 1v1j s SER 120 Ca 0.12 -0.19 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1v1j s SER 120 Cb -0.11 -0.61 0.62 0.00 -1.71 0.00 0.00 66.02 64.21 1v1j s SER 120 CO 0.02 -0.10 1.86 1.88 1.20 0.00 0.00 173.24 178.10 1v1j h TYR 121 N 7.77 0.44 -0.09 3.44 -1.99 -1.58 -2.77 116.97 122.19 1v1j h TYR 121 Ca -0.29 -0.06 -0.06 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 39.74 1v1j h TYR 121 CO 0.48 0.51 -0.21 0.28 -0.00 0.00 0.00 178.16 179.22 1v1j h VAL 122 N 0.40 1.20 0.00 -2.88 2.07 -1.88 -2.80 116.25 112.35 1v1j h VAL 122 Ca 0.08 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1v1j h VAL 122 Cb 0.41 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1v1j h VAL 122 CO 0.02 0.27 -0.01 0.28 0.02 0.00 0.00 177.57 178.15 1v1j h SER 123 N 0.14 0.00 0.45 0.57 0.02 -1.86 -0.31 113.55 112.56 1v1j h SER 123 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1v1j h SER 123 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1v1j h SER 123 CO 0.03 0.01 -0.27 1.56 -1.14 0.00 0.00 176.83 177.03 1v1j h GLN 124 N 0.00 0.00 0.00 3.45 4.20 -1.64 -3.28 115.11 117.84 1v1j h GLN 124 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1v1j h GLN 124 Cb 0.04 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 1v1j h GLN 124 CO 0.00 0.27 -2.22 -2.13 -0.67 0.00 0.00 178.83 174.07 1v1j n ARG 125 N -3.85 0.99 -1.73 1.46 3.00 -0.49 -5.01 116.66 111.04 1v1j n ARG 125 Ca -0.02 0.03 -0.41 0.00 -0.00 0.00 0.00 57.85 57.45 1v1j n ARG 125 Cb 0.35 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.37 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 -2.78 1.72 -0.09 5.13 0.00 -0.25 -4.91 120.51 119.33 1v1j n ALA 126 Ca -0.31 0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1v1j n ALA 126 Cb 1.03 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1v1j n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v1j h ASP 127 N 2.51 0.49 -4.62 0.00 3.32 -1.27 -3.46 116.42 113.39 1v1j h ASP 127 Ca -0.49 -0.32 -0.27 0.00 0.02 0.00 0.00 57.03 55.98 1v1j h ASP 127 Cb 1.27 -0.13 -0.18 0.00 0.22 0.00 0.00 39.33 40.51 1v1j h ASP 127 CO 0.62 0.68 -0.72 -0.83 -1.72 0.00 0.00 179.24 177.27 1v1j s GLY 128 N -3.18 0.68 -0.06 2.75 0.00 -1.21 -5.06 107.32 101.24 1v1j s GLY 128 Ca -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1v1j s GLY 128 CO 0.76 -1.15 -0.05 0.14 0.00 0.00 0.00 173.10 172.80 1v1j s VAL 129 N -2.40 0.62 -0.12 1.40 1.01 -1.26 -1.11 120.40 118.53 1v1j s VAL 129 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1v1j s VAL 129 Cb -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1v1j s VAL 129 CO -0.01 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 174.45 1v1j s VAL 130 N 1.13 1.86 -0.02 2.92 1.01 -0.18 -4.98 120.40 122.14 1v1j s VAL 130 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1v1j s VAL 130 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1v1j s VAL 130 CO -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 1v1j s ALA 131 N 0.81 0.63 -0.10 5.51 0.00 -1.26 -0.82 121.76 126.53 1v1j s ALA 131 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1v1j s ALA 131 Cb -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1v1j s ALA 131 CO -0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1v1j n GLY 132 N 3.21 0.48 1.50 0.00 0.00 -0.55 -4.74 105.19 105.10 1v1j n GLY 132 Ca -0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 0.04 0.96 0.28 0.00 0.00 -0.95 -2.70 105.19 102.82 1v1j n GLY 134 Ca 0.24 -0.77 0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.06 1.61 -1.51 -1.88 -2.42 116.25 111.99 1v1j h VAL 135 Ca 0.00 -0.37 0.02 0.00 -1.23 0.00 0.00 66.70 65.12 1v1j h VAL 135 Cb 0.00 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1v1j h VAL 135 CO 0.00 0.00 0.07 -0.61 -1.23 0.00 0.00 177.57 175.80 1v1j h GLN 136 N 0.00 0.00 -0.21 5.19 4.15 -1.93 -1.49 115.11 120.82 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 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1v1j h GLN 136 CO 0.00 0.00 0.08 0.78 -1.93 0.00 0.00 178.83 177.76 1v1j h GLY 137 N 0.00 0.30 1.35 2.39 0.00 -1.27 0.16 103.07 105.99 1v1j h GLY 137 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1v1j h GLY 137 CO -0.00 0.12 0.38 -0.97 0.00 0.00 0.00 176.54 176.07 1v1j h TYR 138 N 0.28 0.64 -0.23 5.60 -1.99 -1.47 -0.74 116.97 119.06 1v1j h TYR 138 Ca 0.07 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.70 1v1j h TYR 138 Cb 0.06 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1v1j h TYR 138 CO 0.00 0.38 -0.31 0.28 -0.00 0.00 0.00 178.16 178.51 1v1j h VAL 139 N 0.67 1.32 -0.87 -2.88 2.07 -1.09 -1.79 116.25 113.67 1v1j h VAL 139 Ca 0.22 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.29 1v1j h VAL 139 Cb 0.07 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1v1j h VAL 139 CO -0.06 0.47 0.55 -0.26 0.02 0.00 0.00 177.57 178.29 1v1j h PHE 140 N 0.30 1.02 -0.33 1.57 0.05 -1.22 -0.03 116.94 118.31 1v1j h PHE 140 Ca 0.03 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.87 1v1j h PHE 140 Cb 0.89 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 38.47 1v1j h PHE 140 CO 0.08 0.55 0.14 0.78 -0.18 0.00 0.00 178.31 179.68 1v1j h GLY 141 N 1.03 0.43 1.22 -1.45 0.00 -0.77 0.77 103.07 104.28 1v1j h GLY 141 Ca 0.37 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1v1j h GLY 141 CO -0.15 0.06 0.15 -2.08 0.00 0.00 0.00 176.54 174.52 1v1j h VAL 142 N 0.30 1.24 -0.24 4.60 2.07 -0.60 -1.41 116.25 122.21 1v1j h VAL 142 Ca 0.14 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1v1j h VAL 142 Cb 0.08 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1v1j h VAL 142 CO -0.12 0.34 -0.36 -0.08 0.02 0.00 0.00 177.57 177.37 1v1j h GLU 143 N 0.93 0.52 -0.40 1.57 4.57 -0.58 -1.33 114.58 119.86 1v1j h GLU 143 Ca 0.20 -0.24 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 1v1j h GLU 143 Cb 0.33 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1v1j h GLU 143 CO -0.00 0.81 -0.36 -0.09 -1.18 0.00 0.00 179.01 178.19 1v1j h ARG 144 N 0.44 0.96 -0.86 1.92 9.65 -0.43 -2.83 114.38 123.23 1v1j h ARG 144 Ca 0.05 -0.49 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 1v1j h ARG 144 Cb 0.83 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 1v1j h ARG 144 CO 0.07 1.15 0.45 0.82 2.80 0.00 0.00 179.97 185.26 1v1j h ILE 145 N 0.79 1.25 -0.70 1.20 1.08 -1.03 -1.18 117.51 118.91 1v1j h ILE 145 Ca 0.07 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1v1j h ILE 145 Cb 0.96 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1v1j h ILE 145 CO 0.09 0.29 0.45 0.00 -0.69 0.00 0.00 178.15 178.30 1v1j h ALA 146 N 1.28 1.47 0.00 1.87 0.00 -1.20 0.32 119.26 123.01 1v1j h ALA 146 Ca 0.30 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1v1j h ALA 146 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1v1j h ALA 146 CO -0.04 0.48 -0.89 0.00 0.00 0.00 0.00 179.25 178.80 1v1j h ALA 147 N 1.54 0.53 0.14 0.00 0.00 -1.14 -2.10 119.26 118.23 1v1j h ALA 147 Ca 0.26 -0.81 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 1v1j h ALA 147 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1v1j h ALA 147 CO -0.05 1.11 -1.56 -0.07 0.00 0.00 0.00 179.25 178.68 1v1j h LEU 148 N 0.00 0.45 -0.50 0.00 3.38 -0.55 -3.29 115.31 114.80 1v1j h LEU 148 Ca -0.01 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.17 1v1j h LEU 148 Cb 1.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1v1j h LEU 148 CO 0.12 1.52 -0.63 0.00 0.09 0.00 0.00 178.44 179.53 1v1j h ALA 149 N 0.42 0.69 0.00 1.53 0.00 -0.47 -3.50 119.26 117.93 1v1j h ALA 149 Ca -0.26 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1v1j h ALA 149 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1v1j h ALA 149 CO 0.17 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.55