#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvj s ALA 32 N 0.00 2.91 -0.22 4.37 0.00 -1.26 0.06 121.76 127.62 1pvj s ALA 32 Ca 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 1pvj s ALA 32 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1pvj s ALA 32 CO 0.00 -0.25 -0.11 0.50 0.00 0.00 0.00 175.76 175.90 1pvj s ARG 33 N -3.38 2.88 0.11 0.00 3.52 0.61 -4.70 118.95 117.99 1pvj s ARG 33 Ca 0.65 -0.93 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 1pvj s ARG 33 Cb -0.14 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1pvj s ARG 33 CO 0.21 -0.33 0.09 -0.80 -0.81 0.00 0.00 175.30 173.66 1pvj s ASN 34 N 1.30 5.51 0.00 -2.12 0.01 -1.26 -4.51 114.94 113.87 1pvj s ASN 34 Ca 0.01 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1pvj s ASN 34 Cb -0.16 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.04 1pvj s ASN 34 CO -0.07 0.14 0.00 1.21 -1.51 0.00 0.00 177.10 176.87 1pvj n GLU 35 N 0.22 0.00 -0.32 -0.60 4.07 -1.26 0.19 120.64 122.93 1pvj n GLU 35 Ca -0.09 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.12 1pvj n GLU 35 Cb 0.53 0.00 0.23 0.00 -0.06 0.00 0.00 31.44 32.14 1pvj n GLU 35 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1pvj h LYS 36 N 0.00 0.04 0.49 5.31 -0.00 -1.98 0.21 116.57 120.64 1pvj h LYS 36 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.62 1pvj h LYS 36 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1pvj h LYS 36 CO 0.00 0.02 -0.24 1.49 -0.00 0.00 0.00 179.45 180.73 1pvj h GLU 37 N 0.04 -0.63 -0.10 0.07 4.22 0.17 -0.37 114.58 117.98 1pvj h GLU 37 Ca 0.53 0.04 0.04 0.00 0.08 0.00 0.00 59.36 60.06 1pvj h GLU 37 Cb 1.03 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1pvj h GLU 37 CO -0.87 -0.39 -0.42 0.00 -2.18 0.00 0.00 179.01 175.15 1pvj h ALA 38 N -0.25 -0.62 -0.98 2.92 0.00 -0.37 0.38 119.26 120.34 1pvj h ALA 38 Ca -0.07 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.10 1pvj h ALA 38 Cb 0.54 0.78 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1pvj h ALA 38 CO 0.11 -0.94 0.53 -0.22 0.00 0.00 0.00 179.25 178.73 1pvj h LYS 39 N -0.51 0.39 -0.14 0.00 3.64 -0.62 0.75 116.57 120.08 1pvj h LYS 39 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1pvj h LYS 39 Cb 0.63 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1pvj h LYS 39 CO -0.38 0.26 -0.08 0.22 -2.27 0.00 0.00 179.45 177.20 1pvj h ASP 40 N 0.41 0.32 -0.93 4.20 1.82 0.11 -2.74 116.42 119.60 1pvj h ASP 40 Ca 0.67 -0.42 0.18 0.00 -0.39 0.00 0.00 57.03 57.07 1pvj h ASP 40 Cb 1.41 -0.09 -0.11 0.00 0.68 0.00 0.00 39.33 41.22 1pvj h ASP 40 CO -0.56 0.67 0.52 0.28 -1.61 0.00 0.00 179.24 178.54 1pvj h SER 41 N -0.04 0.63 0.26 2.28 0.02 0.42 0.00 113.55 117.13 1pvj h SER 41 Ca 0.03 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1pvj h SER 41 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1pvj h SER 41 CO 0.02 0.21 -0.15 0.00 -1.14 0.00 0.00 176.83 175.77 1pvj h ALA 42 N 1.63 -1.04 -0.74 3.77 0.00 -0.26 -1.08 119.26 121.54 1pvj h ALA 42 Ca 0.54 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.53 1pvj h ALA 42 Cb 0.85 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1pvj h ALA 42 CO -0.40 -1.02 0.17 0.82 0.00 0.00 0.00 179.25 178.82 1pvj h ILE 43 N -0.39 0.50 -0.45 0.00 2.04 -1.18 0.28 117.51 118.31 1pvj h ILE 43 Ca -0.04 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1pvj h ILE 43 Cb 0.31 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1pvj h ILE 43 CO 0.04 0.05 0.11 0.74 0.00 0.00 0.00 178.15 179.09 1pvj h THR 44 N 0.26 0.79 -0.30 -0.27 2.02 -0.95 0.83 112.91 115.28 1pvj h THR 44 Ca 0.42 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.53 1pvj h THR 44 Cb 0.71 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1pvj h THR 44 CO -0.52 0.05 0.15 0.15 0.37 0.00 0.00 175.52 175.71 1pvj h PHE 45 N 0.25 0.27 0.62 3.16 3.57 0.77 0.78 116.94 126.36 1pvj h PHE 45 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1pvj h PHE 45 Cb 0.26 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.93 1pvj h PHE 45 CO -0.20 0.15 -0.30 0.82 -2.23 0.00 0.00 178.31 176.55 1pvj h ILE 46 N 0.31 0.35 -0.98 1.41 2.04 0.04 -3.04 117.51 117.64 1pvj h ILE 46 Ca 0.13 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1pvj h ILE 46 Cb 0.05 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1pvj h ILE 46 CO -0.09 0.02 0.63 1.56 0.00 0.00 0.00 178.15 180.27 1pvj h GLN 47 N -0.93 1.14 0.00 2.37 4.20 0.83 -3.51 115.11 119.21 1pvj h GLN 47 Ca -0.08 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1pvj h GLN 47 Cb 0.67 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1pvj h GLN 47 CO 0.14 0.75 0.00 1.63 -0.67 0.00 0.00 178.83 180.68 1pvj n LYS 48 N -4.50 0.00 0.00 1.46 4.76 0.27 -5.07 118.16 115.07 1pvj n LYS 48 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1pvj n LYS 48 Cb 0.15 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1pvj n LYS 48 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1pvj n ILE 62 N -0.17 0.00 -4.74 -0.18 -6.64 -1.26 -4.97 119.36 101.40 1pvj n ILE 62 Ca 0.00 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.73 1pvj n ILE 62 Cb 0.00 0.00 -0.15 0.00 -1.44 0.00 0.00 39.64 38.05 1pvj n ILE 62 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1pvj s LYS 63 N -4.31 1.39 -0.12 6.28 2.20 -1.26 -5.09 119.74 118.83 1pvj s LYS 63 Ca 0.00 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1pvj s LYS 63 Cb 0.00 -1.41 0.02 0.00 -1.51 0.00 0.00 37.83 34.94 1pvj s LYS 63 CO 0.00 0.37 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.74 1pvj s LEU 64 N -0.78 1.44 -0.23 5.43 1.43 -1.26 -2.03 118.68 122.68 1pvj s LEU 64 Ca 0.07 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 1pvj s LEU 64 Cb -0.08 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 1pvj s LEU 64 CO 0.00 -0.08 0.16 -1.81 0.23 0.00 0.00 176.35 174.86 1pvj s ASP 65 N 1.51 6.13 0.36 2.29 -0.00 -0.34 -4.89 116.67 121.73 1pvj s ASP 65 Ca 0.03 0.13 -0.26 0.00 -0.00 0.00 0.00 52.55 52.45 1pvj s ASP 65 Cb -0.13 -2.10 -0.09 0.00 -0.00 0.00 0.00 42.92 40.60 1pvj s ASP 65 CO -0.08 0.08 1.14 -0.75 -0.00 0.00 0.00 175.17 175.56 1pvj s LYS 66 N 0.95 4.26 -0.02 8.23 2.20 -1.26 0.42 119.74 134.52 1pvj s LYS 66 Ca 0.08 1.80 -0.09 0.00 -0.36 0.00 0.00 55.97 57.40 1pvj s LYS 66 Cb -0.13 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1pvj s LYS 66 CO 0.04 -0.13 0.27 0.08 -0.36 0.00 0.00 175.35 175.25 1pvj s VAL 67 N -1.37 5.28 -0.35 4.02 1.01 0.13 -4.86 120.40 124.26 1pvj s VAL 67 Ca 0.53 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1pvj s VAL 67 Cb -0.30 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1pvj s VAL 67 CO 0.38 0.47 0.19 0.54 0.00 0.00 0.00 175.10 176.68 1pvj s ASN 68 N -1.41 5.68 0.20 3.32 2.20 -1.26 -4.66 114.94 119.00 1pvj s ASN 68 Ca 0.24 -0.85 0.09 0.00 -0.94 0.00 0.00 52.86 51.40 1pvj s ASN 68 Cb -0.14 -2.02 -0.04 0.00 -2.00 0.00 0.00 41.25 37.05 1pvj s ASN 68 CO 0.13 -0.33 -0.06 -1.48 -2.94 0.00 0.00 177.10 172.42 1pvj s LEU 69 N 1.57 3.07 0.00 3.54 2.34 -1.26 -4.93 118.68 123.01 1pvj s LEU 69 Ca 0.03 -0.57 0.00 0.00 0.06 0.00 0.00 54.13 53.65 1pvj s LEU 69 Cb -0.18 -1.71 0.00 0.00 -0.56 0.00 0.00 46.19 43.73 1pvj s LEU 69 CO 0.07 0.08 0.00 0.61 -1.06 0.00 0.00 176.35 176.04 1pvj n GLY 70 N -0.22 2.16 0.00 -3.48 0.00 -1.26 -4.41 105.19 97.98 1pvj n GLY 70 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pvj n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 71 N 4.51 0.00 0.20 -0.02 0.00 -1.26 0.15 105.19 108.77 1pvj n GLY 71 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1pvj n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pvj h GLU 72 N 0.00 0.06 -0.59 1.61 -0.00 -1.99 -2.58 114.58 111.09 1pvj h GLU 72 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1pvj h GLU 72 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.74 1pvj h GLU 72 CO 0.00 0.36 0.00 1.28 -0.00 0.00 0.00 179.01 180.65 1pvj n LEU 73 N -4.16 1.43 -4.81 3.06 4.77 0.17 -4.84 117.00 112.62 1pvj n LEU 73 Ca -0.02 -0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.95 1pvj n LEU 73 Cb 0.36 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.22 1pvj n LEU 73 CO 0.38 0.27 0.72 -0.94 -1.33 0.00 0.00 177.39 176.50 1pvj s SER 74 N -0.51 3.86 0.00 -1.43 1.04 0.39 -4.56 113.70 112.49 1pvj s SER 74 Ca 0.10 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1pvj s SER 74 Cb 0.07 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1pvj s SER 74 CO 0.05 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.54 1pvj n GLY 75 N -2.36 -1.80 1.95 7.32 0.00 -1.26 -4.73 105.19 104.32 1pvj n GLY 75 Ca 0.07 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1pvj n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pvj n SER 76 N 0.13 1.60 0.11 1.61 3.41 -1.26 -4.74 113.62 114.47 1pvj n SER 76 Ca 0.00 -2.33 0.12 0.00 -0.26 0.00 0.00 58.87 56.40 1pvj n SER 76 Cb 0.00 -0.39 0.45 0.00 -0.26 0.00 0.00 64.21 64.01 1pvj n SER 76 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pvj n ASN 77 N -0.16 0.68 -3.68 4.04 3.02 -1.26 -4.34 115.26 113.55 1pvj n ASN 77 Ca 0.11 0.62 -0.15 0.00 -0.03 0.00 0.00 54.58 55.12 1pvj n ASN 77 Cb 0.96 -0.78 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 1pvj n ASN 77 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1pvj s MET 78 N -3.20 0.78 0.04 3.52 0.00 -1.26 -0.98 119.30 118.20 1pvj s MET 78 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 55.69 55.83 1pvj s MET 78 Cb 0.11 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 35.27 1pvj s MET 78 CO 0.48 -0.22 -0.12 0.71 0.00 0.00 0.00 175.02 175.87 1pvj s TYR 79 N -1.14 1.07 -0.07 4.11 1.51 0.30 -4.84 117.35 118.29 1pvj s TYR 79 Ca -0.12 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1pvj s TYR 79 Cb -0.03 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 1pvj s TYR 79 CO 0.06 0.02 -0.09 0.08 -1.11 0.00 0.00 175.55 174.50 1pvj s VAL 80 N -0.98 0.96 -0.11 0.71 1.01 -1.26 0.90 120.40 121.63 1pvj s VAL 80 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1pvj s VAL 80 Cb -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1pvj s VAL 80 CO 0.01 0.33 -0.17 -0.31 0.00 0.00 0.00 175.10 174.96 1pvj s TYR 81 N 0.93 2.07 -0.23 5.22 1.51 -0.65 0.22 117.35 126.43 1pvj s TYR 81 Ca -0.10 -0.95 -0.22 0.00 -1.01 0.00 0.00 57.07 54.79 1pvj s TYR 81 Cb -0.15 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1pvj s TYR 81 CO 0.01 -0.47 0.71 -0.80 -1.11 0.00 0.00 175.55 173.89 1pvj s ASN 82 N 0.87 6.72 0.13 2.29 0.01 0.17 -1.93 114.94 123.19 1pvj s ASN 82 Ca -0.09 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.64 1pvj s ASN 82 Cb -0.15 -2.38 -0.08 0.00 0.41 0.00 0.00 41.25 39.05 1pvj s ASN 82 CO -0.00 -0.39 1.30 -0.63 -1.51 0.00 0.00 177.10 175.88 1pvj s ILE 83 N 2.40 3.50 0.27 0.60 1.01 0.72 -1.20 121.20 128.49 1pvj s ILE 83 Ca 0.31 1.12 0.03 0.00 0.00 0.00 0.00 60.65 62.10 1pvj s ILE 83 Cb -0.16 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.63 1pvj s ILE 83 CO 0.09 0.11 1.68 0.77 0.00 0.00 0.00 174.94 177.59 1pvj h SER 84 N 6.35 0.44 1.14 3.58 4.64 -1.70 -2.25 113.55 125.75 1pvj h SER 84 Ca -0.43 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1pvj h SER 84 Cb 1.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1pvj h SER 84 CO 0.82 0.76 0.00 0.35 -0.87 0.00 0.00 176.83 177.89 1pvj n THR 85 N -4.07 0.68 0.00 2.95 -2.24 -1.26 -4.93 114.28 105.41 1pvj n THR 85 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1pvj n THR 85 Cb 0.46 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1pvj n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pvj n GLY 86 N 0.76 4.85 0.00 3.38 0.00 -0.85 -5.00 105.19 108.32 1pvj n GLY 86 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1pvj n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 87 N -1.58 -2.43 3.62 -0.02 0.00 0.07 -4.47 105.19 100.39 1pvj n GLY 87 Ca 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 1pvj n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pvj s PHE 88 N -0.56 -0.29 -0.09 1.61 -0.12 -0.10 -0.20 117.98 118.24 1pvj s PHE 88 Ca 0.00 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1pvj s PHE 88 Cb 0.00 0.60 0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1pvj s PHE 88 CO 0.00 -0.78 0.21 0.08 -0.05 0.00 0.00 175.22 174.67 1pvj s VAL 89 N -3.39 -0.04 -0.22 -2.49 1.01 -0.81 -1.07 120.40 113.39 1pvj s VAL 89 Ca 0.08 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1pvj s VAL 89 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1pvj s VAL 89 CO -0.04 0.06 -0.01 -0.63 0.00 0.00 0.00 175.10 174.49 1pvj s ILE 90 N 1.14 3.75 -0.03 2.22 1.01 0.99 -1.64 121.20 128.65 1pvj s ILE 90 Ca -0.09 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1pvj s ILE 90 Cb -0.10 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1pvj s ILE 90 CO -0.07 0.41 -0.08 -0.69 0.00 0.00 0.00 174.94 174.51 1pvj s VAL 91 N 1.34 3.58 0.38 2.92 1.01 0.26 -1.81 120.40 128.08 1pvj s VAL 91 Ca 0.04 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1pvj s VAL 91 Cb -0.15 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1pvj s VAL 91 CO 0.00 0.49 1.06 -0.94 0.00 0.00 0.00 175.10 175.72 1pvj s SER 92 N -1.10 6.84 -0.13 3.32 1.04 -0.56 0.11 113.70 123.22 1pvj s SER 92 Ca 0.15 2.09 0.17 0.00 0.48 0.00 0.00 55.95 58.83 1pvj s SER 92 Cb -0.11 -2.59 0.71 0.00 0.10 0.00 0.00 66.02 64.12 1pvj s SER 92 CO 0.04 -0.44 1.62 0.61 0.98 0.00 0.00 173.24 176.05 1pvj n GLY 93 N 0.50 2.88 2.99 7.32 0.00 -0.15 -4.76 105.19 113.97 1pvj n GLY 93 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1pvj n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pvj s ASP 94 N -0.97 -0.06 0.65 1.61 -1.08 -1.26 -0.28 116.67 115.27 1pvj s ASP 94 Ca 0.50 0.41 0.11 0.00 -0.52 0.00 0.00 52.55 53.05 1pvj s ASP 94 Cb 0.33 1.30 0.49 0.00 -1.46 0.00 0.00 42.92 43.59 1pvj s ASP 94 CO 0.22 -0.29 1.24 0.11 0.52 0.00 0.00 175.17 176.98 1pvj h LYS 95 N 8.15 0.00 0.00 4.34 1.57 -0.65 0.22 116.57 130.20 1pvj h LYS 95 Ca -0.20 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1pvj h LYS 95 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1pvj h LYS 95 CO 0.26 0.00 -0.60 0.00 -0.57 0.00 0.00 179.45 178.53 1pvj h ARG 96 N 0.00 0.00 -7.07 3.15 3.08 -1.83 -2.48 114.38 109.24 1pvj h ARG 96 Ca 0.10 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.67 1pvj h ARG 96 Cb 1.91 0.00 0.05 0.00 0.08 0.00 0.00 29.97 32.01 1pvj h ARG 96 CO -0.00 0.60 0.16 -1.12 -1.07 0.00 0.00 179.97 178.54 1pvj s SER 97 N -6.81 5.81 0.58 7.04 0.01 0.77 -3.65 113.70 117.44 1pvj s SER 97 Ca -0.01 0.79 -0.19 0.00 1.31 0.00 0.00 55.95 57.85 1pvj s SER 97 Cb 0.12 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1pvj s SER 97 CO 0.76 -0.91 1.19 -2.16 0.41 0.00 0.00 173.24 172.52 1pvj s PRO 98 N -4.92 3.09 0.01 12.44 0.04 -1.26 -4.64 135.00 139.77 1pvj s PRO 98 Ca 0.52 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1pvj s PRO 98 Cb -0.10 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1pvj s PRO 98 CO 0.45 -1.10 1.01 1.49 0.04 0.00 0.00 177.00 178.89 1pvj h GLU 99 N 0.99 -0.38 -4.86 4.56 4.81 -1.92 -3.39 114.58 114.40 1pvj h GLU 99 Ca -0.50 0.03 -0.69 0.00 -0.13 0.00 0.00 59.36 58.06 1pvj h GLU 99 Cb 1.29 0.09 -0.19 0.00 0.63 0.00 0.00 28.75 30.57 1pvj h GLU 99 CO 0.56 -0.25 0.05 0.42 -0.73 0.00 0.00 179.01 179.06 1pvj s ILE 100 N -3.58 4.87 -0.12 2.32 -1.09 -1.26 -1.49 121.20 120.85 1pvj s ILE 100 Ca -0.06 -0.66 0.14 0.00 -2.23 0.00 0.00 60.65 57.84 1pvj s ILE 100 Cb 0.01 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1pvj s ILE 100 CO 0.17 -0.89 1.34 -0.07 -1.23 0.00 0.00 174.94 174.26 1pvj h LEU 101 N 9.75 0.00 -7.00 2.97 3.38 -1.60 -3.48 115.31 119.34 1pvj h LEU 101 Ca -0.28 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.87 1pvj h LEU 101 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1pvj h LEU 101 CO 1.00 0.57 0.72 -0.83 0.09 0.00 0.00 178.44 179.99 1pvj s GLY 102 N -4.53 -0.25 0.20 0.83 0.00 -1.22 -1.62 107.32 100.73 1pvj s GLY 102 Ca 0.03 1.84 -0.23 0.00 0.00 0.00 0.00 44.72 46.35 1pvj s GLY 102 CO 0.76 0.73 0.80 -2.52 0.00 0.00 0.00 173.10 172.88 1pvj s TYR 103 N -1.95 -0.22 -0.27 1.90 -0.85 0.40 -0.01 117.35 116.35 1pvj s TYR 103 Ca 0.06 -0.12 -0.15 0.00 -0.52 0.00 0.00 57.07 56.33 1pvj s TYR 103 Cb -0.01 0.65 0.08 0.00 0.38 0.00 0.00 41.96 43.06 1pvj s TYR 103 CO -0.04 -0.99 0.67 0.45 -1.52 0.00 0.00 175.55 174.12 1pvj s SER 104 N -2.87 -0.93 0.49 -0.18 0.15 -0.24 -0.91 113.70 109.21 1pvj s SER 104 Ca 0.10 1.49 0.19 0.00 0.70 0.00 0.00 55.95 58.42 1pvj s SER 104 Cb -0.03 1.38 1.20 0.00 -1.71 0.00 0.00 66.02 66.86 1pvj s SER 104 CO 0.02 -0.24 2.05 0.71 1.20 0.00 0.00 173.24 176.98 1pvj h THR 105 N 5.06 0.95 -3.39 6.45 1.35 -1.90 -0.23 112.91 121.20 1pvj h THR 105 Ca -0.30 -0.46 -0.18 0.00 -0.55 0.00 0.00 66.41 64.92 1pvj h THR 105 Cb 1.22 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 1pvj h THR 105 CO 0.17 0.13 -0.15 -1.54 -0.25 0.00 0.00 175.52 173.87 1pvj n SER 106 N -4.18 0.64 0.00 5.36 3.41 -1.26 -3.57 113.62 114.01 1pvj n SER 106 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1pvj n SER 106 Cb 0.21 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1pvj n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pvj n GLY 107 N 0.82 0.68 3.65 5.00 0.00 -1.26 -3.58 105.19 110.50 1pvj n GLY 107 Ca -0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 1pvj n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvj s SER 108 N -4.00 -0.27 -0.04 1.61 1.04 -1.26 -0.75 113.70 110.03 1pvj s SER 108 Ca 0.00 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1pvj s SER 108 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1pvj s SER 108 CO 0.00 -0.83 -0.07 0.12 0.98 0.00 0.00 173.24 173.44 1pvj s PHE 109 N -3.28 2.91 -0.26 5.02 5.36 -1.26 -0.67 117.98 125.80 1pvj s PHE 109 Ca 0.09 -0.01 -0.26 0.00 -0.96 0.00 0.00 56.93 55.80 1pvj s PHE 109 Cb -0.01 -1.67 0.11 0.00 -0.34 0.00 0.00 43.02 41.11 1pvj s PHE 109 CO -0.02 0.35 0.96 0.34 -1.46 0.00 0.00 175.22 175.38 1pvj s ASP 110 N -1.07 -0.51 -0.00 6.13 -1.08 -1.26 -4.90 116.67 113.98 1pvj s ASP 110 Ca 0.14 0.92 0.01 0.00 -0.52 0.00 0.00 52.55 53.11 1pvj s ASP 110 Cb -0.11 0.92 -0.02 0.00 -1.46 0.00 0.00 42.92 42.25 1pvj s ASP 110 CO 0.04 -0.21 0.05 0.00 0.52 0.00 0.00 175.17 175.57 1pvj n ALA 111 N 2.10 2.14 -1.44 3.66 0.00 -1.26 -4.68 120.51 121.02 1pvj n ALA 111 Ca -0.13 -0.04 -0.59 0.00 0.00 0.00 0.00 53.44 52.68 1pvj n ALA 111 Cb 0.56 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1pvj n ALA 111 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pvj n ASN 112 N -1.22 1.32 0.00 0.00 3.02 -1.26 -0.43 115.26 116.69 1pvj n ASN 112 Ca 0.00 0.77 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1pvj n ASN 112 Cb 0.03 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 1pvj n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pvj n GLY 113 N 6.22 3.00 3.44 7.41 0.00 -1.26 -4.91 105.19 119.10 1pvj n GLY 113 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 1pvj n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj s LYS 114 N -0.01 4.02 0.21 1.61 1.02 0.42 -4.88 119.74 122.13 1pvj s LYS 114 Ca 0.00 -2.54 -0.09 0.00 0.02 0.00 0.00 55.97 53.36 1pvj s LYS 114 Cb 0.00 -4.96 0.27 0.00 -0.52 0.00 0.00 37.83 32.61 1pvj s LYS 114 CO 0.00 -1.69 1.77 1.49 -0.92 0.00 0.00 175.35 176.00 1pvj h GLU 115 N 7.35 0.50 -0.42 1.68 4.57 -1.91 -1.59 114.58 124.77 1pvj h GLU 115 Ca 0.27 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1pvj h GLU 115 Cb 0.90 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1pvj h GLU 115 CO 1.18 0.33 0.29 -2.95 -1.18 0.00 0.00 179.01 176.68 1pvj h ASN 116 N 0.52 0.20 0.43 1.04 -1.07 -1.90 0.44 115.58 115.24 1pvj h ASN 116 Ca 0.30 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.43 1pvj h ASN 116 Cb 0.31 -0.04 0.01 0.00 -2.07 0.00 0.00 38.32 36.52 1pvj h ASN 116 CO -0.25 0.12 -1.08 0.40 0.07 0.00 0.00 177.43 176.69 1pvj h ILE 117 N 0.22 1.43 0.03 6.14 2.04 -1.67 -3.01 117.51 122.69 1pvj h ILE 117 Ca 0.19 -2.67 -0.27 0.00 1.00 0.00 0.00 64.86 63.11 1pvj h ILE 117 Cb 0.47 2.64 0.02 0.00 -0.74 0.00 0.00 36.82 39.20 1pvj h ILE 117 CO -0.03 0.79 -1.08 0.00 0.00 0.00 0.00 178.15 177.83 1pvj h ALA 118 N 0.65 0.15 -0.63 1.87 0.00 -0.74 -2.88 119.26 117.68 1pvj h ALA 118 Ca -0.11 -0.72 0.13 0.00 0.00 0.00 0.00 54.91 54.21 1pvj h ALA 118 Cb 1.75 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1pvj h ALA 118 CO 0.18 0.73 0.43 1.03 0.00 0.00 0.00 179.25 181.62 1pvj h SER 119 N 0.32 0.28 0.35 0.00 0.87 -0.16 0.31 113.55 115.52 1pvj h SER 119 Ca -0.13 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1pvj h SER 119 Cb 1.73 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1pvj h SER 119 CO 0.20 0.15 -0.17 0.15 -0.53 0.00 0.00 176.83 176.64 1pvj h PHE 120 N 0.30 -0.44 -1.00 2.24 3.57 -1.50 -3.16 116.94 116.95 1pvj h PHE 120 Ca 0.30 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 62.08 1pvj h PHE 120 Cb 0.78 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.52 1pvj h PHE 120 CO -0.00 -0.25 0.58 0.52 -2.23 0.00 0.00 178.31 176.93 1pvj h MET 121 N -1.11 0.42 -0.53 1.11 2.86 -1.20 0.53 114.93 117.00 1pvj h MET 121 Ca -0.05 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1pvj h MET 121 Cb 0.38 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 1pvj h MET 121 CO 0.08 0.27 0.20 0.93 1.06 0.00 0.00 176.91 179.45 1pvj h GLU 122 N 0.43 0.38 -0.10 1.72 5.08 -1.00 -1.12 114.58 119.97 1pvj h GLU 122 Ca 0.70 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.03 1pvj h GLU 122 Cb 1.49 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1pvj h GLU 122 CO -0.55 0.25 0.03 0.66 -1.00 0.00 0.00 179.01 178.40 1pvj h SER 123 N 0.39 0.14 -0.90 1.42 4.64 0.07 0.10 113.55 119.41 1pvj h SER 123 Ca 0.26 -0.19 0.25 0.00 -0.47 0.00 0.00 61.79 61.64 1pvj h SER 123 Cb 0.27 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 62.17 1pvj h SER 123 CO -0.25 0.29 0.19 1.88 -0.87 0.00 0.00 176.83 178.07 1pvj h TYR 124 N -0.01 0.25 0.23 4.77 0.99 -0.82 -2.43 116.97 119.95 1pvj h TYR 124 Ca 0.03 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1pvj h TYR 124 Cb 0.20 0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.96 1pvj h TYR 124 CO -0.01 -0.28 -0.11 0.28 -0.00 0.00 0.00 178.16 178.04 1pvj h VAL 125 N 0.14 0.00 0.00 -2.88 2.07 -0.39 -1.17 116.25 114.01 1pvj h VAL 125 Ca 0.57 -0.16 -0.41 0.00 0.82 0.00 0.00 66.70 67.52 1pvj h VAL 125 Cb 1.17 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1pvj h VAL 125 CO -0.72 0.00 2.48 -1.84 0.02 0.00 0.00 177.57 177.51 1pvj n GLU 126 N -3.27 1.88 0.00 1.57 0.28 0.28 0.25 120.64 121.64 1pvj n GLU 126 Ca -0.04 -1.48 0.00 0.00 -0.16 0.00 0.00 57.16 55.48 1pvj n GLU 126 Cb 0.12 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.48 1pvj n GLU 126 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1pvj n GLN 127 N 4.73 0.00 0.21 3.44 7.27 -1.05 -4.79 117.38 127.18 1pvj n GLN 127 Ca 0.43 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.56 1pvj n GLN 127 Cb 0.17 0.00 0.44 0.00 2.41 0.00 0.00 30.24 33.26 1pvj n GLN 127 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1pvj h ILE 128 N 0.00 0.99 -0.10 1.69 2.04 0.11 -1.67 117.51 120.57 1pvj h ILE 128 Ca 0.00 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 1pvj h ILE 128 Cb 0.00 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1pvj h ILE 128 CO 0.00 0.30 -0.19 0.11 0.00 0.00 0.00 178.15 178.38 1pvj h LYS 129 N 0.00 0.30 -0.00 2.37 1.57 -1.69 -2.97 116.57 116.15 1pvj h LYS 129 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1pvj h LYS 129 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1pvj h LYS 129 CO 0.04 0.78 0.05 0.93 -0.57 0.00 0.00 179.45 180.68 1pvj h GLU 130 N -0.14 0.00 0.00 3.15 5.08 -1.59 0.17 114.58 121.25 1pvj h GLU 130 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pvj h GLU 130 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pvj h GLU 130 CO 0.04 0.00 -0.20 -0.91 -1.00 0.00 0.00 179.01 176.94 1pvj h ASN 131 N 0.00 0.00 0.15 1.42 2.35 -1.26 -3.17 115.58 115.06 1pvj h ASN 131 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1pvj h ASN 131 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1pvj h ASN 131 CO -0.00 0.03 0.00 0.29 -1.65 0.00 0.00 177.43 176.10 1pvj n LYS 132 N -2.37 0.43 0.21 0.81 5.02 0.59 -2.10 118.16 120.74 1pvj n LYS 132 Ca 0.04 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1pvj n LYS 132 Cb 0.45 -1.50 0.31 0.00 -0.02 0.00 0.00 35.03 34.27 1pvj n LYS 132 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pvj h LYS 133 N 0.00 0.00 0.00 1.97 1.79 -1.67 -3.46 116.57 115.20 1pvj h LYS 133 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1pvj h LYS 133 Cb 0.07 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1pvj h LYS 133 CO 0.00 0.00 0.06 1.28 -1.08 0.00 0.00 179.45 179.71 1pvj n LEU 134 N -2.96 0.00 0.00 2.94 7.99 -0.89 -5.05 117.00 119.03 1pvj n LEU 134 Ca 0.03 -1.42 0.00 0.00 -0.01 0.00 0.00 56.01 54.61 1pvj n LEU 134 Cb 0.46 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1pvj n LEU 134 CO 0.32 -0.80 0.11 -0.90 -1.51 0.00 0.00 177.39 174.61 1pvj n ASP 135 N -2.89 0.08 -4.97 -1.43 5.75 -1.26 -5.07 116.55 106.75 1pvj n ASP 135 Ca 0.11 -1.02 -0.21 0.00 -0.01 0.00 0.00 54.79 53.66 1pvj n ASP 135 Cb 0.39 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1pvj n ASP 135 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1pvj s THR 136 N -0.02 4.83 0.57 2.12 -4.23 -1.26 -5.11 115.64 112.54 1pvj s THR 136 Ca 0.00 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1pvj s THR 136 Cb 0.00 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1pvj s THR 136 CO 0.00 -0.30 0.85 -0.89 -0.54 0.00 0.00 174.62 173.74 1pvj s THR 137 N -2.10 3.39 0.33 3.99 2.01 -1.26 -4.65 115.64 117.34 1pvj s THR 137 Ca 0.39 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1pvj s THR 137 Cb -0.09 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1pvj s THR 137 CO 0.31 -0.30 1.31 -0.47 -0.69 0.00 0.00 174.62 174.78 1pvj s TYR 138 N -2.91 3.05 0.00 4.92 5.04 -0.93 -4.97 117.35 121.55 1pvj s TYR 138 Ca 0.54 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.56 1pvj s TYR 138 Cb -0.10 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1pvj s TYR 138 CO 0.43 -1.90 0.00 0.00 -1.34 0.00 0.00 175.55 172.73 1pvj n ALA 139 N 0.90 0.00 0.00 3.97 0.00 -1.26 -5.06 120.51 119.05 1pvj n ALA 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pvj n ALA 139 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1pvj n ALA 139 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1pvj n GLN 146 N 0.00 0.00 -2.84 0.00 7.27 -1.26 -5.16 117.38 115.38 1pvj n GLN 146 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1pvj n GLN 146 Cb 0.00 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.75 1pvj n GLN 146 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1pvj s PRO 147 N -5.52 1.88 -0.15 3.69 0.04 -1.26 -4.68 135.00 129.00 1pvj s PRO 147 Ca 0.00 -1.50 -0.01 0.00 0.04 0.00 0.00 61.00 59.53 1pvj s PRO 147 Cb 0.00 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1pvj s PRO 147 CO 0.00 -1.26 -0.11 0.08 0.04 0.00 0.00 177.00 175.75 1pvj s VAL 148 N -2.94 3.19 -0.12 -0.36 1.01 -1.26 -3.44 120.40 116.47 1pvj s VAL 148 Ca 0.66 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1pvj s VAL 148 Cb -0.04 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1pvj s VAL 148 CO 0.43 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 175.19 1pvj s VAL 149 N 0.52 1.58 0.13 2.92 1.01 -0.53 -4.93 120.40 121.10 1pvj s VAL 149 Ca -0.07 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1pvj s VAL 149 Cb -0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1pvj s VAL 149 CO 0.04 0.46 0.97 -0.54 0.00 0.00 0.00 175.10 176.02 1pvj s LYS 150 N 1.12 4.71 -0.24 2.72 -0.14 -1.26 0.28 119.74 126.92 1pvj s LYS 150 Ca -0.03 1.48 -0.22 0.00 -1.36 0.00 0.00 55.97 55.84 1pvj s LYS 150 Cb -0.14 -3.36 -0.09 0.00 -1.68 0.00 0.00 37.83 32.56 1pvj s LYS 150 CO -0.04 0.25 0.92 0.45 -0.76 0.00 0.00 175.35 176.17 1pvj n SER 151 N 2.57 0.46 -0.10 2.83 2.88 -1.26 -4.75 113.62 116.26 1pvj n SER 151 Ca 0.02 0.43 -0.11 0.00 -1.33 0.00 0.00 58.87 57.88 1pvj n SER 151 Cb 0.49 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 1pvj n SER 151 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pvj h LEU 152 N 3.53 0.46 -0.54 2.46 3.38 -1.04 -2.16 115.31 121.41 1pvj h LEU 152 Ca -0.12 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1pvj h LEU 152 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1pvj h LEU 152 CO 0.50 0.62 -0.03 -0.07 0.09 0.00 0.00 178.44 179.55 1pvj h LEU 153 N 0.29 0.96 -1.30 1.67 4.07 -1.87 -2.73 115.31 116.41 1pvj h LEU 153 Ca 0.09 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 1pvj h LEU 153 Cb 0.36 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1pvj h LEU 153 CO 0.01 1.05 -0.06 0.44 -1.08 0.00 0.00 178.44 178.80 1pvj h ASP 154 N 0.85 0.37 0.32 -0.43 3.32 -1.82 -1.23 116.42 117.81 1pvj h ASP 154 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pvj h ASP 154 Cb 0.58 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1pvj h ASP 154 CO 0.03 0.48 0.00 -1.54 -1.72 0.00 0.00 179.24 176.50 1pvj n SER 155 N -4.28 0.60 -0.09 6.45 3.41 -0.82 -1.20 113.62 117.70 1pvj n SER 155 Ca 0.00 0.72 0.06 0.00 -0.26 0.00 0.00 58.87 59.39 1pvj n SER 155 Cb 0.26 -0.82 0.08 0.00 -0.26 0.00 0.00 64.21 63.47 1pvj n SER 155 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pvj n LYS 156 N -2.23 1.59 -3.72 4.33 5.02 -0.56 -5.00 118.16 117.58 1pvj n LYS 156 Ca 0.00 -2.06 -0.28 0.00 -2.02 0.00 0.00 58.31 53.95 1pvj n LYS 156 Cb 0.12 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1pvj n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pvj n GLY 157 N -1.00 -0.50 3.51 0.72 0.00 -0.34 -4.83 105.19 102.75 1pvj n GLY 157 Ca 0.10 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1pvj n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvj s ILE 158 N -3.22 4.99 -0.33 -0.61 1.01 -0.63 -4.18 121.20 118.22 1pvj s ILE 158 Ca 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.17 1pvj s ILE 158 Cb -0.29 -4.07 0.13 0.00 0.01 0.00 0.00 42.46 38.24 1pvj s ILE 158 CO 0.72 -0.43 0.22 -1.00 0.00 0.00 0.00 174.94 174.45 1pvj s HIS 159 N 2.40 0.39 0.58 3.97 3.76 -0.14 -4.66 115.29 121.59 1pvj s HIS 159 Ca 0.17 -1.22 -0.03 0.00 -0.15 0.00 0.00 55.06 53.82 1pvj s HIS 159 Cb -0.16 -0.81 0.02 0.00 1.11 0.00 0.00 32.58 32.75 1pvj s HIS 159 CO 0.15 -0.85 0.86 0.71 -0.85 0.00 0.00 174.74 174.75 1pvj s TYR 160 N 1.47 3.08 0.00 1.40 4.12 -1.26 -4.55 117.35 121.61 1pvj s TYR 160 Ca 0.15 0.37 0.00 0.00 0.02 0.00 0.00 57.07 57.61 1pvj s TYR 160 Cb -0.20 -2.77 0.00 0.00 -1.52 0.00 0.00 41.96 37.48 1pvj s TYR 160 CO -0.12 -0.89 0.00 -1.71 0.02 0.00 0.00 175.55 172.86 1pvj n ASN 161 N -2.51 0.83 -0.01 2.29 2.85 -1.26 -1.29 115.26 116.15 1pvj n ASN 161 Ca 0.05 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 54.01 1pvj n ASN 161 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1pvj n ASN 161 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pvj n GLN 162 N 0.00 -0.90 0.00 1.20 6.02 -1.26 -4.85 117.38 117.58 1pvj n GLN 162 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1pvj n GLN 162 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1pvj n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pvj n GLY 163 N 0.00 2.30 3.75 1.08 0.00 -1.26 -1.61 105.19 109.46 1pvj n GLY 163 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1pvj n GLY 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pvj s ASN 164 N -0.76 7.55 0.00 1.61 3.84 -1.26 0.16 114.94 126.08 1pvj s ASN 164 Ca 0.00 1.98 0.28 0.00 0.21 0.00 0.00 52.86 55.33 1pvj s ASN 164 Cb 0.00 -2.61 0.96 0.00 -0.55 0.00 0.00 41.25 39.05 1pvj s ASN 164 CO 0.00 0.06 1.70 -0.81 -2.79 0.00 0.00 177.10 175.26 1pvj n PRO 165 N 1.68 1.73 -0.21 0.43 -0.04 -1.26 -4.86 135.00 132.47 1pvj n PRO 165 Ca -0.01 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1pvj n PRO 165 Cb 0.47 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 1pvj n PRO 165 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1pvj h TYR 166 N 2.59 0.42 -0.11 0.54 -1.99 -0.94 0.13 116.97 117.61 1pvj h TYR 166 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pvj h TYR 166 Cb 0.55 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1pvj h TYR 166 CO 0.00 0.11 0.00 0.27 -0.00 0.00 0.00 178.16 178.54 1pvj n ASN 167 N -4.98 1.47 0.16 3.88 6.94 0.41 -4.09 115.26 119.04 1pvj n ASN 167 Ca 0.09 -2.11 0.10 0.00 -0.02 0.00 0.00 54.58 52.64 1pvj n ASN 167 Cb 0.28 -0.38 0.53 0.00 -2.36 0.00 0.00 39.78 37.84 1pvj n ASN 167 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pvj n LEU 168 N 0.04 0.50 -0.28 -4.53 4.32 0.03 -2.26 117.00 114.82 1pvj n LEU 168 Ca 0.05 0.71 0.06 0.00 -0.02 0.00 0.00 56.01 56.81 1pvj n LEU 168 Cb 0.32 -0.75 0.09 0.00 -1.62 0.00 0.00 43.42 41.46 1pvj n LEU 168 CO 0.05 -0.88 0.44 0.18 -1.22 0.00 0.00 177.39 175.96 1pvj n LEU 169 N -2.20 1.52 -4.90 2.23 4.77 -1.26 -5.05 117.00 112.11 1pvj n LEU 169 Ca -0.01 -2.38 -0.28 0.00 -0.03 0.00 0.00 56.01 53.31 1pvj n LEU 169 Cb 0.11 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1pvj n LEU 169 CO 0.09 0.58 0.63 0.42 -1.33 0.00 0.00 177.39 177.77 1pvj s THR 170 N -1.83 3.54 0.33 -5.08 -4.23 -0.96 -4.86 115.64 102.55 1pvj s THR 170 Ca 0.21 0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.63 1pvj s THR 170 Cb 0.19 -3.45 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 1pvj s THR 170 CO 0.01 -0.52 1.30 -2.65 -0.54 0.00 0.00 174.62 172.22 1pvj n PRO 171 N -2.77 2.10 -2.85 3.99 -0.02 -1.26 -4.40 135.00 129.79 1pvj n PRO 171 Ca 0.06 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1pvj n PRO 171 Cb 0.57 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1pvj n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pvj s VAL 172 N -0.95 4.83 0.11 -1.45 1.01 -1.26 -0.13 120.40 122.57 1pvj s VAL 172 Ca 0.57 1.68 -0.34 0.00 0.00 0.00 0.00 61.98 63.89 1pvj s VAL 172 Cb -0.58 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 31.50 1pvj s VAL 172 CO 0.60 -0.05 1.61 -0.38 0.00 0.00 0.00 175.10 176.89 1pvj n ILE 173 N 5.04 0.10 -0.04 2.22 5.41 -0.31 -4.81 119.36 126.96 1pvj n ILE 173 Ca 0.06 -0.02 0.02 0.00 1.00 0.00 0.00 62.75 63.81 1pvj n ILE 173 Cb 0.48 -1.55 -0.12 0.00 -0.71 0.00 0.00 39.64 37.73 1pvj n ILE 173 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pvj n GLU 174 N 3.90 0.94 -4.31 0.38 1.02 -0.10 -0.76 120.64 121.71 1pvj n GLU 174 Ca 0.18 -0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 1pvj n GLU 174 Cb 0.28 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 1pvj n GLU 174 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pvj s LYS 175 N -2.80 1.24 -0.20 3.49 1.02 0.28 -4.92 119.74 117.85 1pvj s LYS 175 Ca -0.07 -1.55 -0.10 0.00 0.02 0.00 0.00 55.97 54.28 1pvj s LYS 175 Cb 0.08 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 1pvj s LYS 175 CO 0.65 0.13 0.14 0.08 -0.92 0.00 0.00 175.35 175.43 1pvj s VAL 176 N -3.12 5.40 -0.15 3.17 1.01 -1.26 -4.54 120.40 120.91 1pvj s VAL 176 Ca 0.21 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1pvj s VAL 176 Cb 0.01 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1pvj s VAL 176 CO 0.05 0.43 1.14 -0.75 0.00 0.00 0.00 175.10 175.96 1pvj s LYS 177 N 0.43 4.30 0.09 2.72 2.20 -1.26 -4.94 119.74 123.28 1pvj s LYS 177 Ca 0.09 1.53 -0.36 0.00 -0.36 0.00 0.00 55.97 56.86 1pvj s LYS 177 Cb -0.11 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.40 1pvj s LYS 177 CO -0.01 -0.56 1.38 -2.30 -0.36 0.00 0.00 175.35 173.50 1pvj n PRO 178 N 5.93 1.30 -1.23 4.03 -0.02 -1.26 -1.23 135.00 142.53 1pvj n PRO 178 Ca 0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1pvj n PRO 178 Cb 0.46 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1pvj n PRO 178 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvj n GLY 179 N 2.68 0.38 3.01 -1.23 0.00 -1.26 -5.03 105.19 103.74 1pvj n GLY 179 Ca 0.18 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1pvj n GLY 179 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pvj s GLU 180 N -2.46 0.34 0.81 1.61 2.12 -0.36 -5.16 118.70 115.60 1pvj s GLU 180 Ca 0.00 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 1pvj s GLU 180 Cb 0.00 0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.59 1pvj s GLU 180 CO 0.00 -0.07 1.09 -0.65 -0.54 0.00 0.00 175.26 175.09 1pvj s GLN 181 N -1.35 2.01 0.14 4.30 -0.21 -1.26 -4.62 119.66 118.66 1pvj s GLN 181 Ca -0.15 0.92 -0.30 0.00 0.02 0.00 0.00 55.36 55.86 1pvj s GLN 181 Cb -0.09 -1.89 -0.06 0.00 1.00 0.00 0.00 33.01 31.97 1pvj s GLN 181 CO -0.00 -1.75 0.95 0.45 -2.12 0.00 0.00 175.29 172.82 1pvj s SER 182 N -3.56 7.52 -0.06 5.90 0.15 -1.26 -4.71 113.70 117.68 1pvj s SER 182 Ca 0.61 1.81 0.09 0.00 0.70 0.00 0.00 55.95 59.17 1pvj s SER 182 Cb -0.16 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.70 1pvj s SER 182 CO 0.56 -0.01 1.06 0.49 1.20 0.00 0.00 173.24 176.53 1pvj n PHE 183 N 2.50 0.00 -1.66 3.44 3.01 -1.26 -5.06 117.46 118.43 1pvj n PHE 183 Ca 0.01 -0.71 -0.46 0.00 1.01 0.00 0.00 57.45 57.30 1pvj n PHE 183 Cb 0.49 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1pvj n PHE 183 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1pvj n VAL 184 N -0.92 0.44 0.00 -4.37 0.31 -1.26 -0.78 118.33 111.75 1pvj n VAL 184 Ca 0.08 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1pvj n VAL 184 Cb 0.46 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1pvj n VAL 184 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pvj n GLY 185 N 2.76 2.01 3.89 2.92 0.00 0.06 -4.99 105.19 111.84 1pvj n GLY 185 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pvj n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pvj s GLN 186 N -0.48 3.61 0.14 1.61 -0.21 0.04 -4.84 119.66 119.54 1pvj s GLN 186 Ca 0.00 0.36 -0.17 0.00 0.02 0.00 0.00 55.36 55.57 1pvj s GLN 186 Cb 0.00 -2.33 -0.07 0.00 1.00 0.00 0.00 33.01 31.61 1pvj s GLN 186 CO 0.00 -0.22 0.59 -1.01 -2.12 0.00 0.00 175.29 172.53 1pvj s HIS 187 N -2.72 3.68 1.08 0.91 3.76 -1.26 -1.16 115.29 119.58 1pvj s HIS 187 Ca 0.50 1.20 -0.14 0.00 -0.15 0.00 0.00 55.06 56.47 1pvj s HIS 187 Cb -0.10 -2.47 0.18 0.00 1.11 0.00 0.00 32.58 31.30 1pvj s HIS 187 CO 0.43 0.46 0.67 0.00 -0.85 0.00 0.00 174.74 175.45 1pvj n ALA 188 N 1.08 -2.82 -1.92 -1.40 0.00 0.82 -4.84 120.51 111.43 1pvj n ALA 188 Ca -0.06 -1.01 -0.32 0.00 0.00 0.00 0.00 53.44 52.05 1pvj n ALA 188 Cb 0.51 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 1pvj n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pvj s ALA 189 N -2.40 3.13 0.43 0.00 0.00 -0.76 -4.75 121.76 117.40 1pvj s ALA 189 Ca 0.63 0.17 0.28 0.00 0.00 0.00 0.00 51.96 53.04 1pvj s ALA 189 Cb -0.21 -3.03 1.49 0.00 0.00 0.00 0.00 23.12 21.37 1pvj s ALA 189 CO 0.65 -0.05 2.09 1.79 0.00 0.00 0.00 175.76 180.23 1pvj h THR 190 N 1.30 0.55 0.00 0.00 1.35 -1.64 -3.40 112.91 111.06 1pvj h THR 190 Ca -0.48 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1pvj h THR 190 Cb 1.18 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1pvj h THR 190 CO 0.62 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1pvj n GLY 191 N -0.74 0.12 0.14 5.82 0.00 -1.26 -4.53 105.19 104.74 1pvj n GLY 191 Ca -0.02 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1pvj n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvj h VAL 193 N 0.17 0.96 -0.23 0.00 -1.51 -1.86 2.19 116.25 115.97 1pvj h VAL 193 Ca -0.13 -1.45 -0.13 0.00 -1.23 0.00 0.00 66.70 63.75 1pvj h VAL 193 Cb 1.82 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.84 1pvj h VAL 193 CO 0.20 0.37 -0.37 0.00 -1.23 0.00 0.00 177.57 176.54 1pvj h ALA 194 N 1.63 0.35 -0.05 5.19 0.00 -1.79 0.11 119.26 124.70 1pvj h ALA 194 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pvj h ALA 194 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pvj h ALA 194 CO 0.05 0.43 -0.04 1.15 0.00 0.00 0.00 179.25 180.84 1pvj h THR 195 N 0.36 1.37 -0.72 0.00 2.02 -1.14 0.16 112.91 114.95 1pvj h THR 195 Ca 0.02 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1pvj h THR 195 Cb 0.96 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 1pvj h THR 195 CO 0.08 0.32 0.46 0.00 0.37 0.00 0.00 175.52 176.75 1pvj h ALA 196 N 0.55 1.44 -0.01 6.16 0.00 0.36 -2.17 119.26 125.60 1pvj h ALA 196 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pvj h ALA 196 Cb 0.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pvj h ALA 196 CO 0.01 0.50 -0.01 1.15 0.00 0.00 0.00 179.25 180.90 1pvj h THR 197 N 0.99 1.31 -0.48 0.00 2.02 -0.78 -3.06 112.91 112.91 1pvj h THR 197 Ca 0.26 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1pvj h THR 197 Cb -0.08 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1pvj h THR 197 CO -0.05 0.25 0.32 0.00 0.37 0.00 0.00 175.52 176.40 1pvj h ALA 198 N 0.61 1.83 -0.33 6.16 0.00 -0.47 -0.22 119.26 126.84 1pvj h ALA 198 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1pvj h ALA 198 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pvj h ALA 198 CO 0.00 0.11 -0.08 1.96 0.00 0.00 0.00 179.25 181.24 1pvj h GLN 199 N 0.49 0.65 -0.62 0.00 4.20 -1.40 -0.88 115.11 117.54 1pvj h GLN 199 Ca 0.20 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1pvj h GLN 199 Cb 0.17 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1pvj h GLN 199 CO -0.05 0.82 0.24 0.82 -0.67 0.00 0.00 178.83 179.98 1pvj h ILE 200 N 0.43 1.22 -0.55 2.54 2.04 -1.26 -1.05 117.51 120.88 1pvj h ILE 200 Ca 0.08 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 1pvj h ILE 200 Cb 0.58 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1pvj h ILE 200 CO 0.03 0.28 -0.09 0.24 0.00 0.00 0.00 178.15 178.62 1pvj h MET 201 N 0.90 1.02 -0.12 2.37 2.86 -0.81 -2.98 114.93 118.17 1pvj h MET 201 Ca 0.21 -0.36 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 1pvj h MET 201 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1pvj h MET 201 CO -0.02 1.05 -0.44 -0.22 1.06 0.00 0.00 176.91 178.34 1pvj h LYS 202 N 0.91 0.28 -0.49 1.72 1.63 -0.74 0.11 116.57 119.98 1pvj h LYS 202 Ca 0.15 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1pvj h LYS 202 Cb 0.65 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1pvj h LYS 202 CO 0.04 0.67 0.33 -0.92 -3.45 0.00 0.00 179.45 176.12 1pvj h TYR 203 N 0.23 0.61 -0.01 1.91 3.20 -1.06 -2.32 116.97 119.53 1pvj h TYR 203 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1pvj h TYR 203 Cb 0.87 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1pvj h TYR 203 CO 0.02 0.38 -0.66 0.72 -1.64 0.00 0.00 178.16 176.98 1pvj n HIS 204 N -4.46 0.00 -4.18 -3.82 8.25 -0.82 -4.97 115.22 105.21 1pvj n HIS 204 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1pvj n HIS 204 Cb 0.06 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 1pvj n HIS 204 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pvj n ASN 205 N -0.65 -1.01 -3.98 0.41 3.02 0.33 -4.95 115.26 108.43 1pvj n ASN 205 Ca 0.07 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.44 1pvj n ASN 205 Cb 0.41 -2.47 -0.11 0.00 -0.61 0.00 0.00 39.78 37.00 1pvj n ASN 205 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pvj s TYR 206 N -3.80 0.27 0.47 3.10 5.04 -1.12 -4.73 117.35 116.57 1pvj s TYR 206 Ca 0.30 -0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 54.29 1pvj s TYR 206 Cb -0.17 -0.20 0.11 0.00 0.35 0.00 0.00 41.96 42.05 1pvj s TYR 206 CO 0.94 -0.21 0.63 -0.35 -1.34 0.00 0.00 175.55 175.22 1pvj n PRO 207 N 1.46 -0.64 -0.08 4.97 -0.04 -1.26 -4.81 135.00 134.59 1pvj n PRO 207 Ca -0.23 -0.97 -0.10 0.00 -0.04 0.00 0.00 63.50 62.16 1pvj n PRO 207 Cb 0.56 -0.65 -0.10 0.00 -0.04 0.00 0.00 33.50 33.27 1pvj n PRO 207 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pvj n ASN 208 N -3.42 2.10 -4.24 3.54 5.03 -1.26 -4.64 115.26 112.37 1pvj n ASN 208 Ca 0.08 -0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.15 1pvj n ASN 208 Cb 0.27 0.19 -0.17 0.00 -1.02 0.00 0.00 39.78 39.05 1pvj n ASN 208 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pvj s LYS 209 N -2.36 3.09 0.51 3.52 1.02 -1.26 -0.05 119.74 124.21 1pvj s LYS 209 Ca -0.17 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 54.75 1pvj s LYS 209 Cb 0.06 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 1pvj s LYS 209 CO 0.49 0.17 1.23 0.20 -0.92 0.00 0.00 175.35 176.52 1pvj s GLY 210 N 0.38 2.80 -0.23 -3.33 0.00 -0.75 -4.84 107.32 101.34 1pvj s GLY 210 Ca -0.17 1.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.43 1pvj s GLY 210 CO 0.08 1.52 -0.06 -0.10 0.00 0.00 0.00 173.10 174.53 1pvj n LEU 211 N -0.88 1.90 -3.78 0.66 0.00 0.54 -4.35 117.00 111.09 1pvj n LEU 211 Ca 0.09 0.40 -0.13 0.00 0.00 0.00 0.00 56.01 56.37 1pvj n LEU 211 Cb 0.48 -0.89 -0.14 0.00 0.00 0.00 0.00 43.42 42.86 1pvj n LEU 211 CO 0.48 0.32 -0.23 -0.75 0.00 0.00 0.00 177.39 177.21 1pvj s LYS 212 N -2.44 0.10 0.99 1.96 2.20 -0.99 -4.56 119.74 117.01 1pvj s LYS 212 Ca -0.32 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.46 1pvj s LYS 212 Cb 0.09 -0.09 0.17 0.00 -1.51 0.00 0.00 37.83 36.49 1pvj s LYS 212 CO 0.52 -0.11 1.00 -0.25 -0.36 0.00 0.00 175.35 176.15 1pvj n ASP 213 N 3.75 -0.51 -4.00 1.43 8.00 -1.26 -4.25 116.55 119.71 1pvj n ASP 213 Ca -0.21 0.25 -0.08 0.00 0.71 0.00 0.00 54.79 55.46 1pvj n ASP 213 Cb 0.54 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 40.17 1pvj n ASP 213 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pvj s TYR 214 N -2.54 0.38 -0.04 1.24 5.04 -1.04 -4.93 117.35 115.46 1pvj s TYR 214 Ca 0.66 -0.86 -0.29 0.00 -2.44 0.00 0.00 57.07 54.14 1pvj s TYR 214 Cb -0.23 -0.27 0.07 0.00 0.35 0.00 0.00 41.96 41.88 1pvj s TYR 214 CO 0.61 -0.42 0.64 -0.08 -1.34 0.00 0.00 175.55 174.96 1pvj s THR 215 N -3.68 0.01 0.17 4.34 -1.32 -1.26 -2.30 115.64 111.59 1pvj s THR 215 Ca 0.04 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.24 1pvj s THR 215 Cb 0.06 -0.96 0.06 0.00 -1.51 0.00 0.00 72.50 70.15 1pvj s THR 215 CO -0.09 -0.03 0.65 -0.72 -2.21 0.00 0.00 174.62 172.22 1pvj s TYR 216 N -1.35 -0.45 -0.20 9.09 -0.85 -1.03 -5.00 117.35 117.56 1pvj s TYR 216 Ca -0.11 0.21 -0.07 0.00 -0.52 0.00 0.00 57.07 56.58 1pvj s TYR 216 Cb -0.01 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1pvj s TYR 216 CO 0.08 -0.89 0.06 0.99 -1.52 0.00 0.00 175.55 174.27 1pvj s THR 217 N -3.72 4.64 0.27 -3.49 2.01 -1.26 -1.74 115.64 112.36 1pvj s THR 217 Ca 0.03 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1pvj s THR 217 Cb -0.02 -3.10 -0.12 0.00 0.01 0.00 0.00 72.50 69.26 1pvj s THR 217 CO -0.09 0.43 1.51 -0.11 -0.69 0.00 0.00 174.62 175.67 1pvj n LEU 218 N 3.87 3.83 -4.55 4.42 7.94 -0.02 -4.85 117.00 127.64 1pvj n LEU 218 Ca -0.16 1.15 -0.51 0.00 -1.11 0.00 0.00 56.01 55.37 1pvj n LEU 218 Cb 0.52 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.90 1pvj n LEU 218 CO 0.34 -0.13 0.66 -0.24 -1.11 0.00 0.00 177.39 176.91 1pvj n SER 219 N 2.08 0.92 0.10 1.96 2.88 -1.26 -4.70 113.62 115.60 1pvj n SER 219 Ca 0.10 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 1pvj n SER 219 Cb 0.35 -1.13 0.45 0.00 -0.75 0.00 0.00 64.21 63.13 1pvj n SER 219 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pvj n SER 220 N 2.02 0.52 -1.10 -3.46 3.41 -1.26 -2.32 113.62 111.43 1pvj n SER 220 Ca 0.17 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 1pvj n SER 220 Cb 0.20 -0.74 0.25 0.00 -0.26 0.00 0.00 64.21 63.67 1pvj n SER 220 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1pvj n ASN 221 N -2.07 3.20 -4.66 4.04 0.23 -1.26 -4.87 115.26 109.87 1pvj n ASN 221 Ca 0.03 -2.11 -0.43 0.00 -0.53 0.00 0.00 54.58 51.54 1pvj n ASN 221 Cb 0.22 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 37.49 1pvj n ASN 221 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1pvj s ASN 222 N -0.93 6.87 0.00 0.53 3.84 -0.98 -4.93 114.94 119.33 1pvj s ASN 222 Ca 0.37 1.87 0.28 0.00 0.21 0.00 0.00 52.86 55.59 1pvj s ASN 222 Cb 0.21 -2.54 1.08 0.00 -0.55 0.00 0.00 41.25 39.46 1pvj s ASN 222 CO 0.23 -0.80 1.81 -0.81 -2.79 0.00 0.00 177.10 174.74 1pvj n PRO 223 N 6.64 0.13 0.00 0.43 -0.04 -1.26 -3.93 135.00 136.98 1pvj n PRO 223 Ca 0.15 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1pvj n PRO 223 Cb 0.44 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 1pvj n PRO 223 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pvj n TYR 224 N -1.40 0.00 -4.18 0.54 4.02 -1.26 -4.34 117.16 110.54 1pvj n TYR 224 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.83 1pvj n TYR 224 Cb 0.32 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 39.34 1pvj n TYR 224 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1pvj s PHE 225 N -2.76 1.07 0.54 -0.72 0.40 -1.25 -0.56 117.98 114.70 1pvj s PHE 225 Ca 0.18 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 55.67 1pvj s PHE 225 Cb 0.18 -0.58 -0.06 0.00 0.51 0.00 0.00 43.02 43.07 1pvj s PHE 225 CO 0.61 -0.00 1.02 -0.80 0.70 0.00 0.00 175.22 176.75 1pvj s ASN 226 N -2.48 6.23 0.12 1.36 0.01 -1.26 -4.94 114.94 113.98 1pvj s ASN 226 Ca 0.06 1.75 0.10 0.00 -0.71 0.00 0.00 52.86 54.06 1pvj s ASN 226 Cb -0.03 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1pvj s ASN 226 CO -0.00 -0.86 -0.25 -1.00 -1.51 0.00 0.00 177.10 173.48 1pvj s HIS 227 N -2.39 2.15 0.73 2.20 3.76 -1.26 -4.09 115.29 116.39 1pvj s HIS 227 Ca 0.63 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1pvj s HIS 227 Cb -0.14 -1.17 0.03 0.00 1.11 0.00 0.00 32.58 32.41 1pvj s HIS 227 CO 0.30 0.29 1.08 -1.25 -0.85 0.00 0.00 174.74 174.31 1pvj s PRO 228 N -1.99 2.61 -0.08 8.40 0.04 -1.26 -5.18 135.00 137.54 1pvj s PRO 228 Ca 0.12 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1pvj s PRO 228 Cb -0.10 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1pvj s PRO 228 CO 0.05 -1.29 0.05 0.21 0.04 0.00 0.00 177.00 176.06 1pvj s LYS 229 N -5.10 0.19 -0.11 4.56 2.47 -1.26 -5.07 119.74 115.42 1pvj s LYS 229 Ca 0.59 0.18 -0.00 0.00 -1.56 0.00 0.00 55.97 55.18 1pvj s LYS 229 Cb -0.14 -0.93 -0.02 0.00 -1.46 0.00 0.00 37.83 35.27 1pvj s LYS 229 CO 0.55 -0.39 -0.10 -0.80 0.16 0.00 0.00 175.35 174.76 1pvj s ASN 230 N 2.09 4.28 -0.02 1.43 0.01 -1.26 -0.84 114.94 120.63 1pvj s ASN 230 Ca 0.04 -0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 1pvj s ASN 230 Cb -0.13 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.04 1pvj s ASN 230 CO -0.05 0.22 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.92 1pvj s LEU 231 N 0.01 3.08 -0.02 0.60 1.02 -0.71 -4.99 118.68 117.67 1pvj s LEU 231 Ca -0.03 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 53.99 1pvj s LEU 231 Cb -0.14 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.36 1pvj s LEU 231 CO 0.04 0.31 -0.01 0.12 0.02 0.00 0.00 176.35 176.82 1pvj s PHE 232 N -0.91 0.30 -0.17 0.29 5.36 -1.26 -2.46 117.98 119.13 1pvj s PHE 232 Ca 0.15 -0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 1pvj s PHE 232 Cb -0.11 -0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 1pvj s PHE 232 CO 0.05 -0.08 -0.19 0.00 -1.46 0.00 0.00 175.22 173.54 1pvj s ALA 233 N 0.55 2.36 -0.44 11.12 0.00 -0.97 -5.03 121.76 129.35 1pvj s ALA 233 Ca -0.05 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 1pvj s ALA 233 Cb -0.08 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 1pvj s ALA 233 CO -0.01 -0.21 3.06 0.00 0.00 0.00 0.00 175.76 178.60 1pvj n ALA 234 N 4.38 6.53 -0.35 0.00 0.00 -1.26 -2.50 120.51 127.31 1pvj n ALA 234 Ca -0.20 -2.74 0.24 0.00 0.00 0.00 0.00 53.44 50.74 1pvj n ALA 234 Cb 0.51 -2.34 0.50 0.00 0.00 0.00 0.00 19.45 18.11 1pvj n ALA 234 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pvj h ILE 235 N 2.11 0.41 0.00 0.00 2.04 -1.92 0.11 117.51 120.27 1pvj h ILE 235 Ca 0.38 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1pvj h ILE 235 Cb 0.94 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1pvj h ILE 235 CO 0.76 0.07 0.00 0.77 0.00 0.00 0.00 178.15 179.74 1pvj h SER 236 N 0.37 0.00 -0.51 1.72 4.64 -1.76 -1.37 113.55 116.64 1pvj h SER 236 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1pvj h SER 236 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1pvj h SER 236 CO -0.43 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.88 1pvj n THR 237 N -2.57 1.39 -3.21 2.95 -2.24 0.40 -4.65 114.28 106.34 1pvj n THR 237 Ca -0.01 -1.16 -0.36 0.00 -2.27 0.00 0.00 64.05 60.25 1pvj n THR 237 Cb 0.10 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 1pvj n THR 237 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pvj s ARG 238 N -1.45 4.13 -0.57 -0.78 1.81 -0.52 -4.95 118.95 116.62 1pvj s ARG 238 Ca 0.39 0.71 0.06 0.00 -1.72 0.00 0.00 55.73 55.17 1pvj s ARG 238 Cb 0.24 -2.90 0.22 0.00 -0.45 0.00 0.00 34.95 32.05 1pvj s ARG 238 CO 0.22 0.43 0.58 1.04 -0.68 0.00 0.00 175.30 176.88 1pvj n GLN 239 N 0.76 1.64 -1.60 3.54 1.13 -1.25 -1.81 117.38 119.80 1pvj n GLN 239 Ca -0.04 -4.11 -0.48 0.00 -1.94 0.00 0.00 57.00 50.43 1pvj n GLN 239 Cb 0.51 -1.96 -0.05 0.00 0.11 0.00 0.00 30.24 28.85 1pvj n GLN 239 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1pvj n TYR 240 N 1.53 2.04 -3.07 1.08 0.53 0.92 -4.91 117.16 115.27 1pvj n TYR 240 Ca 0.26 0.06 -0.45 0.00 -1.02 0.00 0.00 57.90 56.74 1pvj n TYR 240 Cb 0.43 -2.64 -0.03 0.00 -1.03 0.00 0.00 39.34 36.07 1pvj n TYR 240 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1pvj s ASN 241 N 5.95 6.44 0.00 7.72 3.84 -1.26 -4.67 114.94 132.96 1pvj s ASN 241 Ca 1.00 -1.83 0.00 0.00 0.21 0.00 0.00 52.86 52.23 1pvj s ASN 241 Cb -0.67 -2.33 0.00 0.00 -0.55 0.00 0.00 41.25 37.71 1pvj s ASN 241 CO 0.48 -1.02 0.33 0.79 -2.79 0.00 0.00 177.10 174.88 1pvj n TRP 242 N 6.07 0.00 -0.05 0.43 7.02 -1.26 -0.63 117.44 129.02 1pvj n TRP 242 Ca 0.06 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.55 1pvj n TRP 242 Cb 0.46 -0.01 -0.16 0.00 -2.42 0.00 0.00 31.31 29.17 1pvj n TRP 242 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1pvj n ASN 243 N -0.28 0.05 0.03 -0.99 5.03 -1.26 -4.15 115.26 113.69 1pvj n ASN 243 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 1pvj n ASN 243 Cb 0.03 1.53 -0.08 0.00 -1.02 0.00 0.00 39.78 40.23 1pvj n ASN 243 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pvj n ASN 244 N -2.48 0.76 -4.48 6.41 3.02 0.20 -4.50 115.26 114.18 1pvj n ASN 244 Ca -0.17 0.32 -0.44 0.00 -0.03 0.00 0.00 54.58 54.26 1pvj n ASN 244 Cb 0.84 0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 40.38 1pvj n ASN 244 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pvj s ILE 245 N -3.01 4.90 1.04 2.41 1.01 -0.91 -4.44 121.20 122.19 1pvj s ILE 245 Ca -0.03 -2.46 -0.13 0.00 0.00 0.00 0.00 60.65 58.02 1pvj s ILE 245 Cb 0.09 -4.94 0.15 0.00 0.01 0.00 0.00 42.46 37.77 1pvj s ILE 245 CO 0.82 -1.66 0.69 0.18 0.00 0.00 0.00 174.94 174.97 1pvj n LEU 246 N 6.05 0.03 0.15 2.97 4.77 -1.26 -4.89 117.00 124.82 1pvj n LEU 246 Ca 0.37 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1pvj n LEU 246 Cb 0.44 -1.25 0.45 0.00 -2.33 0.00 0.00 43.42 40.73 1pvj n LEU 246 CO 0.63 -3.03 0.88 1.55 -1.33 0.00 0.00 177.39 176.09 1pvj h PRO 247 N -2.06 0.00 -2.03 3.23 0.13 -1.88 -3.46 132.00 125.94 1pvj h PRO 247 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1pvj h PRO 247 Cb 1.31 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.26 1pvj h PRO 247 CO 0.41 0.00 0.46 -0.08 -0.23 0.00 0.00 178.00 178.56 1pvj s THR 248 N -3.26 0.00 0.03 1.56 -1.32 -1.26 -0.97 115.64 110.42 1pvj s THR 248 Ca 0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.61 1pvj s THR 248 Cb 0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.07 1pvj s THR 248 CO 0.52 0.00 -0.19 -0.31 -2.21 0.00 0.00 174.62 172.43 1pvj s TYR 249 N -2.22 1.64 -0.54 9.09 1.51 -1.26 -5.01 117.35 120.55 1pvj s TYR 249 Ca 0.01 -0.35 0.16 0.00 -1.01 0.00 0.00 57.07 55.87 1pvj s TYR 249 Cb -0.01 -0.99 -0.19 0.00 -0.11 0.00 0.00 41.96 40.66 1pvj s TYR 249 CO -0.03 0.05 0.58 -1.13 -1.11 0.00 0.00 175.55 173.90 1pvj n SER 250 N 2.07 0.89 0.00 2.29 3.41 -1.26 -4.98 113.62 116.04 1pvj n SER 250 Ca -0.17 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1pvj n SER 250 Cb 0.54 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 1pvj n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pvj n GLY 251 N 1.43 0.56 0.94 5.00 0.00 -1.26 -4.93 105.19 106.93 1pvj n GLY 251 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1pvj n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj n ARG 252 N -2.00 2.19 -0.62 1.61 1.74 -1.26 -5.00 116.66 113.32 1pvj n ARG 252 Ca 0.00 -2.03 -0.30 0.00 -0.77 0.00 0.00 57.85 54.75 1pvj n ARG 252 Cb 0.00 -1.42 0.19 0.00 -1.02 0.00 0.00 32.46 30.21 1pvj n ARG 252 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pvj n GLU 253 N 1.19 -1.18 0.00 5.56 4.71 -1.26 -5.02 120.64 124.64 1pvj n GLU 253 Ca 0.15 -0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 1pvj n GLU 253 Cb 0.52 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1pvj n GLU 253 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1pvj n SER 254 N -4.09 -0.03 0.08 1.62 3.41 -1.26 -4.85 113.62 108.50 1pvj n SER 254 Ca 0.08 -0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.30 1pvj n SER 254 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1pvj n SER 254 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pvj h ASN 255 N -0.03 0.23 -0.22 4.04 4.21 -1.99 -3.21 115.58 118.61 1pvj h ASN 255 Ca 0.00 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.26 1pvj h ASN 255 Cb 0.00 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1pvj h ASN 255 CO 0.00 1.15 0.08 0.58 -1.29 0.00 0.00 177.43 177.96 1pvj h VAL 256 N 0.05 1.17 -0.46 2.81 2.07 -1.98 -0.55 116.25 119.37 1pvj h VAL 256 Ca -0.07 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 1pvj h VAL 256 Cb 1.80 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1pvj h VAL 256 CO 0.16 0.17 -0.18 1.56 0.02 0.00 0.00 177.57 179.30 1pvj h GLN 257 N 0.20 0.94 -0.18 1.57 7.50 -1.78 -2.37 115.11 121.00 1pvj h GLN 257 Ca 0.07 -0.39 -0.11 0.00 0.50 0.00 0.00 58.65 58.72 1pvj h GLN 257 Cb 0.19 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.68 1pvj h GLN 257 CO -0.01 1.06 -0.33 0.87 -1.50 0.00 0.00 178.83 178.92 1pvj h LYS 258 N 0.79 0.54 -0.57 1.46 1.57 -1.55 -2.90 116.57 115.90 1pvj h LYS 258 Ca 0.11 -0.34 0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1pvj h LYS 258 Cb 0.75 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1pvj h LYS 258 CO 0.06 0.95 0.23 1.98 -0.57 0.00 0.00 179.45 182.10 1pvj h MET 259 N 0.19 0.41 0.25 3.15 1.85 -1.11 -0.35 114.93 119.32 1pvj h MET 259 Ca 0.01 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1pvj h MET 259 Cb 0.93 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.83 1pvj h MET 259 CO 0.07 0.27 -0.50 0.00 -0.40 0.00 0.00 176.91 176.35 1pvj h ALA 260 N 1.38 -1.04 -0.02 0.39 0.00 -1.30 -2.35 119.26 116.31 1pvj h ALA 260 Ca 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pvj h ALA 260 Cb 0.31 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pvj h ALA 260 CO -0.27 -1.13 0.00 0.97 0.00 0.00 0.00 179.25 178.82 1pvj h ILE 261 N -0.82 1.21 -0.47 0.00 6.09 -1.37 -2.18 117.51 119.97 1pvj h ILE 261 Ca -0.03 -0.63 0.14 0.00 -1.37 0.00 0.00 64.86 62.97 1pvj h ILE 261 Cb 0.77 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.65 1pvj h ILE 261 CO -0.20 0.17 0.35 0.77 -3.07 0.00 0.00 178.15 176.16 1pvj h SER 262 N -0.22 0.00 0.38 2.19 4.64 -1.06 -0.59 113.55 118.88 1pvj h SER 262 Ca 0.01 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.01 1pvj h SER 262 Cb 0.27 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1pvj h SER 262 CO 0.00 0.00 -1.42 -0.08 -0.87 0.00 0.00 176.83 174.46 1pvj h GLU 263 N 0.00 0.45 0.43 4.77 4.81 -1.32 -1.93 114.58 121.80 1pvj h GLU 263 Ca 0.22 -0.77 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1pvj h GLU 263 Cb 0.92 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1pvj h GLU 263 CO -0.00 1.37 -0.21 1.25 -0.73 0.00 0.00 179.01 180.69 1pvj h LEU 264 N 0.12 -0.49 -1.70 1.64 5.85 -0.50 -1.70 115.31 118.53 1pvj h LEU 264 Ca -0.22 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1pvj h LEU 264 Cb 2.11 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 43.23 1pvj h LEU 264 CO 0.25 -0.33 0.43 0.24 -0.34 0.00 0.00 178.44 178.69 1pvj h MET 265 N -0.59 0.30 -0.04 1.25 2.86 -1.29 -1.74 114.93 115.69 1pvj h MET 265 Ca -0.06 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.35 1pvj h MET 265 Cb 0.45 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1pvj h MET 265 CO 0.10 0.20 -0.85 0.00 1.06 0.00 0.00 176.91 177.41 1pvj h ALA 266 N 1.69 0.45 -0.10 6.32 0.00 -0.76 -2.32 119.26 124.53 1pvj h ALA 266 Ca 0.31 -0.67 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1pvj h ALA 266 Cb 0.77 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1pvj h ALA 266 CO -0.08 0.79 -0.71 -0.44 0.00 0.00 0.00 179.25 178.81 1pvj h ASP 267 N 0.26 0.81 -0.21 0.00 3.32 -0.72 -2.89 116.42 116.98 1pvj h ASP 267 Ca -0.06 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 1pvj h ASP 267 Cb 1.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1pvj h ASP 267 CO 0.15 1.34 0.09 0.58 -1.72 0.00 0.00 179.24 179.68 1pvj h VAL 268 N 0.33 1.16 -0.44 -1.35 2.07 -1.40 -0.57 116.25 116.06 1pvj h VAL 268 Ca -0.06 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1pvj h VAL 268 Cb 1.36 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1pvj h VAL 268 CO 0.15 0.16 0.30 1.23 0.02 0.00 0.00 177.57 179.42 1pvj h GLY 269 N 0.19 0.34 0.70 2.17 0.00 -1.49 -2.27 103.07 102.71 1pvj h GLY 269 Ca 0.07 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1pvj h GLY 269 CO -0.01 0.07 -1.01 -2.22 0.00 0.00 0.00 176.54 173.38 1pvj h ILE 270 N 0.26 1.38 0.00 2.60 2.04 -1.24 -0.95 117.51 121.59 1pvj h ILE 270 Ca 0.20 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1pvj h ILE 270 Cb 0.46 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1pvj h ILE 270 CO -0.04 0.72 0.25 0.77 0.00 0.00 0.00 178.15 179.85 1pvj h SER 271 N -0.32 0.00 -0.15 1.72 4.64 -0.58 0.49 113.55 119.35 1pvj h SER 271 Ca -0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1pvj h SER 271 Cb 1.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.79 1pvj h SER 271 CO 0.14 0.00 -0.02 1.33 -0.87 0.00 0.00 176.83 177.41 1pvj n VAL 272 N -2.31 2.15 -3.37 0.95 0.24 -0.90 -4.70 118.33 110.38 1pvj n VAL 272 Ca -0.01 -2.15 -0.24 0.00 -2.04 0.00 0.00 64.34 59.89 1pvj n VAL 272 Cb 0.28 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.41 1pvj n VAL 272 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pvj n ASP 273 N -0.95 -4.89 -4.67 -1.34 10.43 0.17 -4.45 116.55 110.84 1pvj n ASP 273 Ca 0.20 -0.44 -0.56 0.00 2.57 0.00 0.00 54.79 56.56 1pvj n ASP 273 Cb 0.80 -3.97 -0.07 0.00 1.84 0.00 0.00 41.12 39.72 1pvj n ASP 273 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1pvj n MET 274 N -4.09 1.08 -2.87 -1.24 1.56 -0.36 -4.86 117.12 106.34 1pvj n MET 274 Ca -0.03 0.39 -0.43 0.00 -0.27 0.00 0.00 57.70 57.36 1pvj n MET 274 Cb 0.57 -2.05 -0.04 0.00 2.15 0.00 0.00 33.22 33.84 1pvj n MET 274 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1pvj s ASP 275 N 2.49 6.18 0.32 6.12 2.15 0.12 -4.92 116.67 129.13 1pvj s ASP 275 Ca 0.94 -1.00 -0.26 0.00 0.43 0.00 0.00 52.55 52.66 1pvj s ASP 275 Cb -1.06 -2.41 -0.10 0.00 -0.30 0.00 0.00 42.92 39.05 1pvj s ASP 275 CO 0.60 -1.43 0.97 -0.31 -0.17 0.00 0.00 175.17 174.83 1pvj s TYR 276 N 4.01 3.67 0.00 -5.34 1.51 -1.26 -1.68 117.35 118.25 1pvj s TYR 276 Ca 0.22 1.78 0.00 0.00 -1.01 0.00 0.00 57.07 58.06 1pvj s TYR 276 Cb -0.17 -2.98 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 1pvj s TYR 276 CO 0.10 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 175.05 1pvj n GLY 277 N 0.68 0.78 0.32 0.71 0.00 -1.26 -4.81 105.19 101.61 1pvj n GLY 277 Ca 0.02 -0.72 0.16 0.00 0.00 0.00 0.00 46.02 45.47 1pvj n GLY 277 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pvj h PRO 278 N 0.00 0.00 -3.91 1.61 0.11 -1.95 -2.02 132.00 125.84 1pvj h PRO 278 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1pvj h PRO 278 Cb 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 30.93 1pvj h PRO 278 CO 0.00 0.00 -0.59 -1.54 -0.21 0.00 0.00 178.00 175.66 1pvj s SER 279 N -4.45 0.24 -0.04 -2.05 1.04 -1.26 -4.44 113.70 102.74 1pvj s SER 279 Ca -0.03 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1pvj s SER 279 Cb 0.09 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1pvj s SER 279 CO 0.28 -0.48 -0.11 -0.44 0.98 0.00 0.00 173.24 173.47 1pvj s SER 280 N -2.11 1.52 0.22 7.02 0.01 -1.26 -4.73 113.70 114.37 1pvj s SER 280 Ca -0.05 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 57.06 1pvj s SER 280 Cb -0.02 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 1pvj s SER 280 CO -0.05 0.05 -0.18 -0.83 0.41 0.00 0.00 173.24 172.65 1pvj s GLY 281 N 0.41 1.60 0.05 3.44 0.00 -0.68 -3.94 107.32 108.21 1pvj s GLY 281 Ca -0.08 -1.70 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 1pvj s GLY 281 CO 0.02 -1.78 0.05 -0.45 0.00 0.00 0.00 173.10 170.94 1pvj s SER 282 N -3.20 0.32 0.35 1.64 0.15 -1.26 0.16 113.70 111.86 1pvj s SER 282 Ca 0.23 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 56.18 1pvj s SER 282 Cb -0.04 0.23 0.79 0.00 -1.71 0.00 0.00 66.02 65.29 1pvj s SER 282 CO 0.10 -0.59 1.88 0.00 1.20 0.00 0.00 173.24 175.82 1pvj h ALA 283 N 3.26 1.79 0.00 5.45 0.00 -1.90 0.24 119.26 128.10 1pvj h ALA 283 Ca -0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pvj h ALA 283 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pvj h ALA 283 CO 0.59 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1pvj n GLY 284 N -1.43 0.93 0.16 0.00 0.00 -1.26 -3.53 105.19 100.06 1pvj n GLY 284 Ca 0.17 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1pvj n GLY 284 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pvj n SER 285 N 1.66 -0.34 0.24 1.61 7.64 -1.26 -0.29 113.62 122.88 1pvj n SER 285 Ca 0.00 0.68 0.06 0.00 1.01 0.00 0.00 58.87 60.62 1pvj n SER 285 Cb 0.00 -0.12 0.56 0.00 -1.01 0.00 0.00 64.21 63.64 1pvj n SER 285 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pvj h SER 286 N 0.00 0.00 0.28 6.43 4.64 -1.97 -0.17 113.55 122.76 1pvj h SER 286 Ca 0.09 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.08 1pvj h SER 286 Cb 0.19 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1pvj h SER 286 CO -0.37 0.10 -1.73 0.03 -0.87 0.00 0.00 176.83 173.99 1pvj h ARG 287 N 0.00 0.29 -0.82 4.77 2.47 -1.00 -3.27 114.38 116.82 1pvj h ARG 287 Ca -0.00 -0.50 -0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1pvj h ARG 287 Cb 0.18 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.65 1pvj h ARG 287 CO 0.01 1.17 0.51 0.28 0.56 0.00 0.00 179.97 182.50 1pvj h VAL 288 N 0.08 1.23 -0.19 2.04 2.07 -0.39 0.39 116.25 121.48 1pvj h VAL 288 Ca -0.32 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.55 1pvj h VAL 288 Cb 2.05 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1pvj h VAL 288 CO 0.15 0.23 -0.54 0.06 0.02 0.00 0.00 177.57 177.49 1pvj h GLN 289 N 1.13 0.70 -0.17 1.57 -0.00 -1.21 -2.24 115.11 114.89 1pvj h GLN 289 Ca 0.30 -0.50 -0.12 0.00 -0.00 0.00 0.00 58.65 58.33 1pvj h GLN 289 Cb -0.06 0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1pvj h GLN 289 CO -0.06 1.12 -0.42 -0.09 -0.00 0.00 0.00 178.83 179.38 1pvj h ARG 290 N 0.40 0.39 -0.19 0.06 2.43 -1.55 -3.16 114.38 112.76 1pvj h ARG 290 Ca -0.01 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 1pvj h ARG 290 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1pvj h ARG 290 CO 0.12 0.75 -0.30 0.00 -1.51 0.00 0.00 179.97 179.03 1pvj h ALA 291 N 1.23 0.30 -0.99 2.80 0.00 -0.18 -1.76 119.26 120.67 1pvj h ALA 291 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1pvj h ALA 291 Cb 0.88 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1pvj h ALA 291 CO 0.07 0.31 0.64 -0.07 0.00 0.00 0.00 179.25 180.20 1pvj h LEU 292 N 0.20 1.05 0.01 0.00 3.38 -1.43 -0.61 115.31 117.91 1pvj h LEU 292 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pvj h LEU 292 Cb 0.88 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pvj h LEU 292 CO 0.07 0.69 -0.01 0.11 0.09 0.00 0.00 178.44 179.39 1pvj h LYS 293 N 1.20 -0.01 -0.15 1.13 1.57 -1.56 0.89 116.57 119.63 1pvj h LYS 293 Ca 0.41 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1pvj h LYS 293 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pvj h LYS 293 CO -0.15 0.28 -0.37 0.93 -0.57 0.00 0.00 179.45 179.57 1pvj h GLU 294 N -1.00 0.52 0.00 3.15 5.08 -1.37 -2.85 114.58 118.10 1pvj h GLU 294 Ca -0.00 -0.35 -0.17 0.00 -1.00 0.00 0.00 59.36 57.84 1pvj h GLU 294 Cb 0.30 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1pvj h GLU 294 CO 0.00 0.97 -0.92 -0.91 -1.00 0.00 0.00 179.01 177.16 1pvj h ASN 295 N 0.14 0.00 -0.19 1.42 4.21 -1.30 -3.33 115.58 116.54 1pvj h ASN 295 Ca -0.00 -0.64 0.00 0.00 1.21 0.00 0.00 56.30 56.86 1pvj h ASN 295 Cb 0.98 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 1pvj h ASN 295 CO 0.08 1.36 0.00 0.49 -1.29 0.00 0.00 177.43 178.07 1pvj n PHE 296 N -4.48 0.24 -1.46 1.19 3.01 -0.82 -0.34 117.46 114.80 1pvj n PHE 296 Ca -0.26 -0.12 -0.09 0.00 1.01 0.00 0.00 57.45 57.99 1pvj n PHE 296 Cb 0.63 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 1pvj n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pvj n GLY 297 N 1.24 0.87 3.76 1.37 0.00 -1.00 -4.18 105.19 107.24 1pvj n GLY 297 Ca 0.17 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1pvj n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pvj s TYR 298 N -2.37 2.47 0.51 1.61 1.51 0.27 -4.95 117.35 116.40 1pvj s TYR 298 Ca 0.00 1.03 -0.22 0.00 -1.01 0.00 0.00 57.07 56.86 1pvj s TYR 298 Cb 0.00 -3.25 -0.07 0.00 -0.11 0.00 0.00 41.96 38.53 1pvj s TYR 298 CO 0.00 -2.34 1.15 -1.71 -1.11 0.00 0.00 175.55 171.55 1pvj n ASN 299 N -3.79 1.81 0.27 2.29 2.85 -0.07 -4.52 115.26 114.11 1pvj n ASN 299 Ca 0.06 0.97 0.19 0.00 -0.11 0.00 0.00 54.58 55.69 1pvj n ASN 299 Cb 0.57 -1.46 0.99 0.00 1.24 0.00 0.00 39.78 41.12 1pvj n ASN 299 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1pvj h GLN 300 N 1.32 0.00 0.00 1.20 1.08 -1.92 0.17 115.11 116.97 1pvj h GLN 300 Ca -0.48 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1pvj h GLN 300 Cb 1.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1pvj h GLN 300 CO 0.56 0.00 -0.07 0.66 -0.95 0.00 0.00 178.83 179.03 1pvj h SER 301 N 0.00 0.00 -2.38 1.46 4.64 -1.90 -3.42 113.55 111.95 1pvj h SER 301 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1pvj h SER 301 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1pvj h SER 301 CO 0.00 0.07 1.23 -0.69 -0.87 0.00 0.00 176.83 176.57 1pvj s VAL 302 N -3.92 3.06 0.20 0.95 1.01 0.05 -4.37 120.40 117.37 1pvj s VAL 302 Ca -0.01 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1pvj s VAL 302 Cb 0.11 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1pvj s VAL 302 CO 0.54 -0.01 0.55 -1.38 0.00 0.00 0.00 175.10 174.80 1pvj s HIS 303 N 4.50 -0.13 0.08 5.22 -3.43 -0.45 -4.96 115.29 116.12 1pvj s HIS 303 Ca 0.88 -0.22 -0.09 0.00 -0.80 0.00 0.00 55.06 54.83 1pvj s HIS 303 Cb -0.42 0.42 -0.06 0.00 -1.43 0.00 0.00 32.58 31.10 1pvj s HIS 303 CO 0.41 -0.95 0.39 -1.14 -2.00 0.00 0.00 174.74 171.44 1pvj s GLN 304 N -3.88 3.73 0.01 -0.38 0.74 -1.26 -1.34 119.66 117.28 1pvj s GLN 304 Ca 0.09 0.13 0.03 0.00 0.05 0.00 0.00 55.36 55.67 1pvj s GLN 304 Cb -0.01 -2.99 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 1pvj s GLN 304 CO -0.02 0.56 -0.10 0.96 -0.55 0.00 0.00 175.29 176.15 1pvj s ILE 305 N -1.41 0.74 -0.18 -2.34 -4.36 0.50 -4.96 121.20 109.19 1pvj s ILE 305 Ca 0.33 -0.59 -0.04 0.00 -0.26 0.00 0.00 60.65 60.09 1pvj s ILE 305 Cb -0.14 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.89 1pvj s ILE 305 CO 0.18 0.07 -0.04 0.20 0.24 0.00 0.00 174.94 175.60 1pvj s ASN 306 N -0.59 4.59 0.31 4.36 0.01 -1.26 -0.73 114.94 121.63 1pvj s ASN 306 Ca 0.01 -0.24 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 1pvj s ASN 306 Cb -0.05 -1.76 0.76 0.00 0.41 0.00 0.00 41.25 40.60 1pvj s ASN 306 CO 0.00 0.09 1.58 -0.09 -1.51 0.00 0.00 177.10 177.17 1pvj h ARG 307 N 7.31 0.02 0.00 -0.60 9.65 -1.75 0.67 114.38 129.67 1pvj h ARG 307 Ca -0.34 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1pvj h ARG 307 Cb 1.18 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1pvj h ARG 307 CO 0.61 0.01 0.00 0.41 2.80 0.00 0.00 179.97 183.80 1pvj n GLY 308 N -1.48 -0.53 0.87 2.80 0.00 -1.26 -1.63 105.19 103.96 1pvj n GLY 308 Ca 0.23 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1pvj n GLY 308 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pvj n ASP 309 N -1.37 2.63 -4.23 1.61 8.00 0.23 -4.96 116.55 118.46 1pvj n ASP 309 Ca 0.02 -1.86 -0.13 0.00 0.71 0.00 0.00 54.79 53.52 1pvj n ASP 309 Cb 0.04 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 1pvj n ASP 309 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pvj s PHE 310 N -1.70 1.18 0.18 1.24 0.40 -0.64 -5.05 117.98 113.59 1pvj s PHE 310 Ca 0.35 -0.97 -0.19 0.00 -0.60 0.00 0.00 56.93 55.52 1pvj s PHE 310 Cb 0.20 -0.67 -0.08 0.00 0.51 0.00 0.00 43.02 42.99 1pvj s PHE 310 CO 0.30 -0.17 0.67 -1.54 0.70 0.00 0.00 175.22 175.18 1pvj s SER 311 N -3.16 7.03 0.32 1.36 1.04 -1.26 -4.81 113.70 114.21 1pvj s SER 311 Ca 0.22 1.34 0.06 0.00 0.48 0.00 0.00 55.95 58.05 1pvj s SER 311 Cb 0.06 -2.39 0.88 0.00 0.10 0.00 0.00 66.02 64.67 1pvj s SER 311 CO 0.03 0.09 1.60 0.50 0.98 0.00 0.00 173.24 176.43 1pvj h LYS 312 N 3.66 0.07 -0.17 4.02 3.64 -1.99 0.40 116.57 126.19 1pvj h LYS 312 Ca -0.48 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 1pvj h LYS 312 Cb 1.20 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1pvj h LYS 312 CO 0.65 0.05 -0.60 1.96 -2.27 0.00 0.00 179.45 179.24 1pvj h GLN 313 N 0.07 0.58 0.00 1.90 7.50 -1.99 -1.87 115.11 121.30 1pvj h GLN 313 Ca 0.65 -0.39 -0.11 0.00 0.50 0.00 0.00 58.65 59.30 1pvj h GLN 313 Cb 1.44 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 29.01 1pvj h GLN 313 CO -0.80 1.01 -0.51 -0.44 -1.50 0.00 0.00 178.83 176.59 1pvj h ASP 314 N 0.43 0.00 -0.21 1.46 3.45 -0.78 -0.97 116.42 119.80 1pvj h ASP 314 Ca -0.00 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1pvj h ASP 314 Cb 1.16 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1pvj h ASP 314 CO 0.11 0.51 -0.36 -0.25 -1.57 0.00 0.00 179.24 177.68 1pvj h TRP 315 N 0.00 0.77 -0.49 4.55 2.91 -0.38 -2.92 115.95 120.39 1pvj h TRP 315 Ca -0.01 -0.27 -0.07 0.00 1.13 0.00 0.00 58.89 59.67 1pvj h TRP 315 Cb 1.00 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 1pvj h TRP 315 CO 0.00 1.01 0.01 0.93 -1.03 0.00 0.00 178.44 179.37 1pvj h GLU 316 N 0.30 0.85 -0.82 2.65 5.08 -1.27 -2.68 114.58 118.69 1pvj h GLU 316 Ca 0.02 -0.27 0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1pvj h GLU 316 Cb 0.95 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 1pvj h GLU 316 CO 0.08 0.89 0.54 0.00 -1.00 0.00 0.00 179.01 179.52 1pvj h ALA 317 N 0.93 1.88 -0.27 3.43 0.00 -1.18 0.25 119.26 124.31 1pvj h ALA 317 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pvj h ALA 317 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pvj h ALA 317 CO 0.02 -0.09 0.06 1.96 0.00 0.00 0.00 179.25 181.21 1pvj h GLN 318 N 0.63 0.43 -0.20 0.00 1.08 -1.28 -1.26 115.11 114.51 1pvj h GLN 318 Ca 0.40 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1pvj h GLN 318 Cb 0.67 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1pvj h GLN 318 CO -0.16 0.52 -0.29 0.82 -0.95 0.00 0.00 178.83 178.77 1pvj h ILE 319 N 0.26 1.33 -0.84 2.54 2.04 -1.18 -2.27 117.51 119.40 1pvj h ILE 319 Ca 0.08 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.52 1pvj h ILE 319 Cb 0.28 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.12 1pvj h ILE 319 CO 0.00 0.46 0.51 0.44 0.00 0.00 0.00 178.15 179.56 1pvj h ASP 320 N 0.22 0.80 -0.81 1.72 3.32 -0.55 -1.07 116.42 120.04 1pvj h ASP 320 Ca 0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1pvj h ASP 320 Cb 0.86 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1pvj h ASP 320 CO 0.07 0.51 0.38 0.50 -1.72 0.00 0.00 179.24 178.97 1pvj h LYS 321 N 0.93 1.17 0.14 3.56 3.64 -1.05 -1.03 116.57 123.92 1pvj h LYS 321 Ca 0.37 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pvj h LYS 321 Cb 0.19 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1pvj h LYS 321 CO -0.18 0.91 -0.07 0.93 -2.27 0.00 0.00 179.45 178.77 1pvj h GLU 322 N 1.15 -0.18 -0.45 1.90 4.39 -0.72 -2.88 114.58 117.79 1pvj h GLU 322 Ca 0.28 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1pvj h GLU 322 Cb 0.13 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1pvj h GLU 322 CO -0.03 -0.02 0.25 -0.07 -1.16 0.00 0.00 179.01 177.98 1pvj h LEU 323 N -0.31 0.54 -2.22 1.33 3.38 -0.93 0.84 115.31 117.94 1pvj h LEU 323 Ca -0.02 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1pvj h LEU 323 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pvj h LEU 323 CO 0.03 0.43 0.20 0.77 0.09 0.00 0.00 178.44 179.97 1pvj h SER 324 N 0.62 0.00 -0.63 -0.43 4.64 -0.97 0.10 113.55 116.87 1pvj h SER 324 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1pvj h SER 324 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pvj h SER 324 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1pvj n GLN 325 N -3.80 3.96 -3.70 4.77 6.02 0.27 -4.94 117.38 119.97 1pvj n GLN 325 Ca 0.02 -2.95 -0.22 0.00 -0.01 0.00 0.00 57.00 53.84 1pvj n GLN 325 Cb 0.33 -1.97 0.03 0.00 1.02 0.00 0.00 30.24 29.65 1pvj n GLN 325 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pvj n ASN 326 N 1.02 -1.49 -3.74 1.08 3.02 0.35 -4.97 115.26 110.52 1pvj n ASN 326 Ca 0.26 -0.84 -0.30 0.00 -0.03 0.00 0.00 54.58 53.68 1pvj n ASN 326 Cb 0.95 -4.00 -0.15 0.00 -0.61 0.00 0.00 39.78 35.97 1pvj n ASN 326 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pvj s GLN 327 N -5.96 0.81 1.02 3.52 -0.21 -1.12 -5.05 119.66 112.67 1pvj s GLN 327 Ca 0.04 -1.22 -0.13 0.00 0.02 0.00 0.00 55.36 54.07 1pvj s GLN 327 Cb -0.01 -2.08 0.12 0.00 1.00 0.00 0.00 33.01 32.04 1pvj s GLN 327 CO 0.82 -1.01 0.59 -2.30 -2.12 0.00 0.00 175.29 171.27 1pvj n PRO 328 N 4.67 -1.01 -4.67 2.91 -0.02 -1.26 -4.03 135.00 131.59 1pvj n PRO 328 Ca -0.00 -0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 60.90 1pvj n PRO 328 Cb 0.41 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 1pvj n PRO 328 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pvj s VAL 329 N -2.42 2.05 0.16 -1.45 1.01 -0.58 -4.75 120.40 114.43 1pvj s VAL 329 Ca 0.61 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1pvj s VAL 329 Cb -0.20 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 1pvj s VAL 329 CO 0.65 0.55 1.24 -0.47 0.00 0.00 0.00 175.10 177.07 1pvj s TYR 330 N 0.82 3.37 0.01 5.22 5.04 -1.05 -1.52 117.35 129.24 1pvj s TYR 330 Ca -0.07 1.31 -0.04 0.00 -2.44 0.00 0.00 57.07 55.83 1pvj s TYR 330 Cb -0.15 -3.49 -0.01 0.00 0.35 0.00 0.00 41.96 38.65 1pvj s TYR 330 CO -0.02 -1.48 0.06 -0.47 -1.34 0.00 0.00 175.55 172.29 1pvj s TYR 331 N 0.28 0.15 0.26 4.97 5.04 -0.26 -1.93 117.35 125.86 1pvj s TYR 331 Ca 0.56 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.69 1pvj s TYR 331 Cb -0.33 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 41.87 1pvj s TYR 331 CO 0.35 -0.24 0.60 1.14 -1.34 0.00 0.00 175.55 176.06 1pvj s GLN 332 N -1.43 1.66 -0.08 4.97 -2.07 -0.98 0.82 119.66 122.56 1pvj s GLN 332 Ca -0.15 -1.11 0.03 0.00 -1.82 0.00 0.00 55.36 52.31 1pvj s GLN 332 Cb -0.09 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.38 1pvj s GLN 332 CO 0.00 -0.73 -0.18 0.20 -1.32 0.00 0.00 175.29 173.26 1pvj s GLY 333 N -2.96 1.06 0.07 2.60 0.00 -0.89 -2.86 107.32 104.33 1pvj s GLY 333 Ca 0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 43.96 1pvj s GLY 333 CO 0.08 -0.14 0.66 0.14 0.00 0.00 0.00 173.10 173.84 1pvj s VAL 334 N 0.45 4.70 0.35 1.40 1.01 -0.56 -1.04 120.40 126.70 1pvj s VAL 334 Ca -0.15 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1pvj s VAL 334 Cb -0.16 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1pvj s VAL 334 CO 0.06 0.48 0.37 -0.83 0.00 0.00 0.00 175.10 175.18 1pvj s GLY 335 N -0.68 2.05 0.00 4.51 0.00 -0.96 -4.67 107.32 107.58 1pvj s GLY 335 Ca 0.33 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1pvj s GLY 335 CO 0.21 -1.29 0.92 1.17 0.00 0.00 0.00 173.10 174.11 1pvj n LYS 336 N -0.62 0.00 0.00 2.90 3.00 -1.26 -2.30 118.16 119.88 1pvj n LYS 336 Ca 0.05 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 1pvj n LYS 336 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.23 1pvj n LYS 336 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1pvj n VAL 337 N -2.02 0.00 0.00 3.15 0.24 -1.26 -4.88 118.33 113.56 1pvj n VAL 337 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pvj n VAL 337 Cb 0.00 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1pvj n VAL 337 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pvj n GLY 338 N -0.47 -0.04 3.64 7.63 0.00 -0.97 -4.41 105.19 110.57 1pvj n GLY 338 Ca 0.00 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 1pvj n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pvj s GLY 339 N 0.00 1.67 -1.31 -0.02 0.00 0.86 -2.27 107.32 106.24 1pvj s GLY 339 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1pvj s GLY 339 CO 0.00 2.06 1.87 1.42 0.00 0.00 0.00 173.10 178.45 1pvj n HIS 340 N 6.40 3.53 -2.12 1.90 8.25 -0.21 -4.71 115.22 128.26 1pvj n HIS 340 Ca 0.09 -2.93 -0.30 0.00 -0.26 0.00 0.00 57.72 54.33 1pvj n HIS 340 Cb 0.47 -2.17 0.01 0.00 1.12 0.00 0.00 29.99 29.41 1pvj n HIS 340 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pvj s ALA 341 N 1.47 3.20 0.16 -1.41 0.00 -1.26 -2.10 121.76 121.81 1pvj s ALA 341 Ca 0.43 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1pvj s ALA 341 Cb 0.08 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1pvj s ALA 341 CO -0.01 -0.57 0.40 1.97 0.00 0.00 0.00 175.76 177.55 1pvj n PHE 342 N -2.57 -1.44 -5.16 0.00 1.16 0.24 -4.77 117.46 104.92 1pvj n PHE 342 Ca 0.04 -0.79 -0.30 0.00 -1.87 0.00 0.00 57.45 54.54 1pvj n PHE 342 Cb 0.54 0.39 -0.16 0.00 -1.61 0.00 0.00 39.48 38.64 1pvj n PHE 342 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1pvj s VAL 343 N -2.51 1.89 -0.34 1.97 1.01 -0.97 -1.10 120.40 120.35 1pvj s VAL 343 Ca 0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1pvj s VAL 343 Cb -0.02 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1pvj s VAL 343 CO 0.05 0.53 0.11 -0.63 0.00 0.00 0.00 175.10 175.15 1pvj s ILE 344 N -0.16 3.73 -0.08 2.22 1.01 -0.58 -1.17 121.20 126.18 1pvj s ILE 344 Ca -0.02 -1.19 0.11 0.00 0.00 0.00 0.00 60.65 59.56 1pvj s ILE 344 Cb -0.13 -3.13 0.17 0.00 0.01 0.00 0.00 42.46 39.38 1pvj s ILE 344 CO 0.03 -0.20 1.06 -0.90 0.00 0.00 0.00 174.94 174.93 1pvj n ASP 345 N 4.80 1.75 -3.57 3.58 5.75 -0.40 -1.52 116.55 126.93 1pvj n ASP 345 Ca -0.12 -2.60 -0.00 0.00 -0.01 0.00 0.00 54.79 52.06 1pvj n ASP 345 Cb 0.44 -0.29 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 1pvj n ASP 345 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1pvj s GLY 346 N -2.07 -0.02 -0.21 6.12 0.00 -1.25 -0.38 107.32 109.51 1pvj s GLY 346 Ca 0.19 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.53 1pvj s GLY 346 CO 0.02 3.55 0.71 0.00 0.00 0.00 0.00 173.10 177.38 1pvj s ALA 347 N -2.15 -1.78 -2.15 3.20 0.00 0.14 -0.31 121.76 118.72 1pvj s ALA 347 Ca 0.24 1.84 0.31 0.00 0.00 0.00 0.00 51.96 54.35 1pvj s ALA 347 Cb -0.01 -0.86 1.60 0.00 0.00 0.00 0.00 23.12 23.84 1pvj s ALA 347 CO 0.02 -0.35 2.06 -0.40 0.00 0.00 0.00 175.76 177.09 1pvj n ASP 348 N 2.21 0.51 0.00 0.00 5.75 -1.00 -1.45 116.55 122.58 1pvj n ASP 348 Ca -0.15 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1pvj n ASP 348 Cb 0.56 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1pvj n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pvj n GLY 349 N 1.07 2.60 2.05 6.12 0.00 -1.22 -4.78 105.19 111.02 1pvj n GLY 349 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1pvj n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj n ARG 350 N -1.09 2.14 -1.81 1.61 1.74 -1.26 -4.50 116.66 113.49 1pvj n ARG 350 Ca 0.00 -2.37 -0.08 0.00 -0.77 0.00 0.00 57.85 54.63 1pvj n ARG 350 Cb 0.00 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 1pvj n ARG 350 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pvj n ASN 351 N -0.45 -3.30 -4.39 0.55 4.13 -1.26 -5.05 115.26 105.49 1pvj n ASN 351 Ca 0.46 0.07 -0.31 0.00 1.68 0.00 0.00 54.58 56.48 1pvj n ASN 351 Cb 0.89 -2.19 -0.14 0.00 -1.54 0.00 0.00 39.78 36.79 1pvj n ASN 351 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1pvj s PHE 352 N -2.36 2.48 0.04 3.10 0.40 -1.26 -4.74 117.98 115.64 1pvj s PHE 352 Ca 0.00 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 1pvj s PHE 352 Cb 0.00 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1pvj s PHE 352 CO 0.00 0.10 -0.09 0.71 0.70 0.00 0.00 175.22 176.64 1pvj s TYR 353 N -0.73 2.80 -0.20 0.36 1.51 0.13 -2.38 117.35 118.85 1pvj s TYR 353 Ca 0.11 -0.10 -0.19 0.00 -1.01 0.00 0.00 57.07 55.88 1pvj s TYR 353 Cb -0.10 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1pvj s TYR 353 CO 0.01 0.37 0.54 -1.58 -1.11 0.00 0.00 175.55 173.78 1pvj s HIS 354 N -1.06 3.37 0.06 2.71 2.46 0.57 0.14 115.29 123.55 1pvj s HIS 354 Ca 0.18 0.80 0.06 0.00 0.47 0.00 0.00 55.06 56.57 1pvj s HIS 354 Cb -0.11 -2.70 -0.04 0.00 -0.13 0.00 0.00 32.58 29.61 1pvj s HIS 354 CO 0.09 -0.11 -0.10 0.08 -2.47 0.00 0.00 174.74 172.23 1pvj s VAL 355 N 1.68 3.35 -0.25 0.89 1.01 0.62 -1.27 120.40 126.43 1pvj s VAL 355 Ca 0.25 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1pvj s VAL 355 Cb -0.15 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1pvj s VAL 355 CO 0.10 0.25 -0.02 0.21 0.00 0.00 0.00 175.10 175.64 1pvj s ASN 356 N -1.80 3.91 0.00 3.32 3.84 -0.31 -2.20 114.94 121.71 1pvj s ASN 356 Ca 0.19 -1.31 0.16 0.00 0.21 0.00 0.00 52.86 52.10 1pvj s ASN 356 Cb -0.11 -1.15 0.93 0.00 -0.55 0.00 0.00 41.25 40.37 1pvj s ASN 356 CO 0.10 -0.28 1.50 0.79 -2.79 0.00 0.00 177.10 176.43 1pvj n TRP 357 N 4.67 0.00 -3.46 0.43 7.02 -1.26 -2.30 117.44 122.53 1pvj n TRP 357 Ca -0.09 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.19 1pvj n TRP 357 Cb 0.44 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.39 1pvj n TRP 357 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1pvj n GLY 358 N 0.57 -0.80 0.31 6.99 0.00 -1.26 -4.90 105.19 106.11 1pvj n GLY 358 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1pvj n GLY 358 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pvj n TRP 359 N -3.80 0.00 0.00 1.61 5.03 -1.17 -4.29 117.44 114.82 1pvj n TRP 359 Ca -0.17 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.36 1pvj n TRP 359 Cb 0.64 0.03 0.00 0.00 -1.03 0.00 0.00 31.31 30.94 1pvj n TRP 359 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pvj n GLY 360 N 0.00 1.74 0.00 6.99 0.00 -0.41 -4.09 105.19 109.41 1pvj n GLY 360 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pvj n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 361 N -2.00 1.19 3.78 -0.02 0.00 -1.26 -4.88 105.19 102.00 1pvj n GLY 361 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pvj n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj s VAL 362 N -0.39 2.09 0.00 1.61 0.11 -1.26 -1.75 120.40 120.81 1pvj s VAL 362 Ca 0.00 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1pvj s VAL 362 Cb 0.00 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1pvj s VAL 362 CO 0.00 0.02 0.00 -1.20 -3.33 0.00 0.00 175.10 170.59 1pvj n SER 363 N 0.52 0.00 -4.72 3.54 7.64 0.16 -4.76 113.62 115.99 1pvj n SER 363 Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1pvj n SER 363 Cb 0.39 -0.49 0.09 0.00 -1.01 0.00 0.00 64.21 63.19 1pvj n SER 363 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pvj s ASP 364 N -3.29 4.24 0.00 6.43 1.11 -0.71 -4.91 116.67 119.54 1pvj s ASP 364 Ca 0.00 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.26 1pvj s ASP 364 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1pvj s ASP 364 CO 0.00 -2.25 0.00 0.61 1.18 0.00 0.00 175.17 174.71 1pvj n GLY 365 N 0.75 0.07 3.78 0.21 0.00 -0.93 -4.83 105.19 104.24 1pvj n GLY 365 Ca 0.15 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 1pvj n GLY 365 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pvj s PHE 366 N -3.13 3.51 0.18 1.61 0.40 -0.09 -0.27 117.98 120.19 1pvj s PHE 366 Ca 0.00 0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.87 1pvj s PHE 366 Cb 0.00 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1pvj s PHE 366 CO 0.00 0.44 -0.02 -0.06 0.70 0.00 0.00 175.22 176.28 1pvj s PHE 367 N -0.15 1.32 0.01 0.36 0.40 0.12 -0.46 117.98 119.58 1pvj s PHE 367 Ca 0.13 -0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 55.45 1pvj s PHE 367 Cb -0.12 -0.74 -0.05 0.00 0.51 0.00 0.00 43.02 42.62 1pvj s PHE 367 CO 0.02 -0.10 0.28 1.03 0.70 0.00 0.00 175.22 177.15 1pvj s ARG 368 N -3.87 3.60 0.45 0.44 0.52 -0.64 0.22 118.95 119.68 1pvj s ARG 368 Ca 0.24 -0.04 0.31 0.00 -0.52 0.00 0.00 55.73 55.71 1pvj s ARG 368 Cb 0.05 -3.08 1.59 0.00 0.52 0.00 0.00 34.95 34.03 1pvj s ARG 368 CO 0.05 0.65 1.94 -0.07 0.02 0.00 0.00 175.30 177.88 1pvj h LEU 369 N 4.04 0.00 -7.15 2.53 3.38 -1.91 -3.45 115.31 112.76 1pvj h LEU 369 Ca -0.50 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.73 1pvj h LEU 369 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1pvj h LEU 369 CO 0.66 0.00 0.75 1.51 0.09 0.00 0.00 178.44 181.45 1pvj s ASP 370 N -4.59 -0.14 0.00 -0.43 3.84 -1.26 -5.03 116.67 109.07 1pvj s ASP 370 Ca -0.02 -0.09 0.21 0.00 -0.00 0.00 0.00 52.55 52.65 1pvj s ASP 370 Cb 0.09 0.21 0.22 0.00 -1.38 0.00 0.00 42.92 42.06 1pvj s ASP 370 CO 0.32 -0.37 1.22 0.00 -0.00 0.00 0.00 175.17 176.35 1pvj n ALA 371 N -0.29 2.45 -1.55 2.11 0.00 -1.26 -5.02 120.51 116.95 1pvj n ALA 371 Ca -0.04 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 1pvj n ALA 371 Cb 0.61 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1pvj n ALA 371 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pvj n LEU 372 N 1.24 1.55 -4.80 0.00 4.32 -1.26 -4.01 117.00 114.04 1pvj n LEU 372 Ca 0.14 1.04 -0.36 0.00 -0.02 0.00 0.00 56.01 56.80 1pvj n LEU 372 Cb 0.54 -1.26 -0.07 0.00 -1.62 0.00 0.00 43.42 41.02 1pvj n LEU 372 CO 0.14 -1.91 -0.19 0.21 -1.22 0.00 0.00 177.39 174.42 1pvj s ASN 373 N -0.77 6.18 -0.99 -1.43 3.84 -1.26 -4.81 114.94 115.71 1pvj s ASN 373 Ca 0.62 0.34 -0.27 0.00 0.21 0.00 0.00 52.86 53.76 1pvj s ASN 373 Cb -0.62 -2.02 -0.20 0.00 -0.55 0.00 0.00 41.25 37.86 1pvj s ASN 373 CO 0.58 0.31 2.22 -2.84 -2.79 0.00 0.00 177.10 174.58 1pvj s PRO 374 N -0.45 1.27 0.00 0.43 0.02 -1.26 -5.04 135.00 129.97 1pvj s PRO 374 Ca 0.12 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.02 1pvj s PRO 374 Cb -0.12 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.49 1pvj s PRO 374 CO 0.02 -5.22 0.00 0.41 -0.33 0.00 0.00 177.00 171.88 1pvj n GLY 385 N 6.37 -1.81 3.67 0.52 0.00 -1.26 -5.25 105.19 107.43 1pvj n GLY 385 Ca 0.43 0.91 -0.42 0.00 0.00 0.00 0.00 46.02 46.94 1pvj n GLY 385 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pvj s PHE 386 N 0.00 1.54 -2.17 1.61 5.36 -1.26 -4.87 117.98 118.20 1pvj s PHE 386 Ca 0.00 -0.32 0.19 0.00 -0.96 0.00 0.00 56.93 55.84 1pvj s PHE 386 Cb 0.00 -4.21 0.24 0.00 -0.34 0.00 0.00 43.02 38.70 1pvj s PHE 386 CO 0.00 -5.31 1.18 0.27 -1.46 0.00 0.00 175.22 169.90 1pvj n ASN 387 N 7.02 2.81 -1.06 6.13 6.94 -1.26 -4.97 115.26 130.87 1pvj n ASN 387 Ca 0.19 -1.84 -0.13 0.00 -0.02 0.00 0.00 54.58 52.79 1pvj n ASN 387 Cb 0.40 -0.09 -0.05 0.00 -2.36 0.00 0.00 39.78 37.68 1pvj n ASN 387 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pvj n GLY 388 N 1.10 1.18 3.58 4.83 0.00 -1.26 -1.95 105.19 112.66 1pvj n GLY 388 Ca 0.13 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1pvj n GLY 388 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pvj n TYR 389 N -2.81 -2.14 -0.73 1.61 4.02 -1.26 -1.50 117.16 114.35 1pvj n TYR 389 Ca -0.13 0.72 -0.31 0.00 -0.01 0.00 0.00 57.90 58.16 1pvj n TYR 389 Cb 0.45 -3.85 0.16 0.00 -0.02 0.00 0.00 39.34 36.08 1pvj n TYR 389 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1pvj n GLN 390 N -4.32 -0.38 -3.84 -0.72 6.02 -0.82 -3.44 117.38 109.87 1pvj n GLN 390 Ca -0.00 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.90 1pvj n GLN 390 Cb 0.55 -2.38 0.01 0.00 1.02 0.00 0.00 30.24 29.44 1pvj n GLN 390 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pvj s SER 391 N -2.56 -0.04 0.08 1.08 1.04 -1.14 -2.01 113.70 110.16 1pvj s SER 391 Ca 0.68 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 56.14 1pvj s SER 391 Cb -0.24 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1pvj s SER 391 CO 0.57 -1.12 0.75 0.00 0.98 0.00 0.00 173.24 174.42 1pvj s ALA 392 N -2.47 -1.70 -0.18 5.32 0.00 0.09 -2.32 121.76 120.51 1pvj s ALA 392 Ca 0.18 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1pvj s ALA 392 Cb -0.03 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 1pvj s ALA 392 CO 0.06 -0.75 -0.12 0.08 0.00 0.00 0.00 175.76 175.03 1pvj s VAL 393 N -3.43 2.86 0.34 0.00 1.01 -0.82 -0.37 120.40 120.00 1pvj s VAL 393 Ca 0.04 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1pvj s VAL 393 Cb -0.01 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 1pvj s VAL 393 CO -0.10 0.49 0.06 0.68 0.00 0.00 0.00 175.10 176.23 1pvj s VAL 394 N 1.06 1.21 -0.31 2.92 -7.23 -0.45 -2.53 120.40 115.07 1pvj s VAL 394 Ca -0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1pvj s VAL 394 Cb -0.15 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1pvj s VAL 394 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1pvj n GLY 395 N -0.75 0.49 3.55 2.32 0.00 -1.26 -1.34 105.19 108.21 1pvj n GLY 395 Ca -0.03 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1pvj n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvj s ILE 396 N -2.13 3.65 0.09 -0.61 1.01 -1.26 -2.36 121.20 119.58 1pvj s ILE 396 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 1pvj s ILE 396 Cb 0.00 -4.70 0.06 0.00 0.01 0.00 0.00 42.46 37.84 1pvj s ILE 396 CO 0.00 -1.63 0.58 -1.59 0.00 0.00 0.00 174.94 172.30 1pvj s LYS 397 N 5.98 1.15 0.00 2.79 -2.85 -1.26 -4.81 119.74 120.74 1pvj s LYS 397 Ca 0.42 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.11 1pvj s LYS 397 Cb -0.09 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1pvj s LYS 397 CO 0.17 -0.45 0.28 -2.30 0.10 0.00 0.00 175.35 173.14