#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 2.92 -0.20 4.37 0.00 -1.26 0.35 121.76 127.94 1pvj s ALA 32 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 1pvj s ALA 32 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1pvj s ALA 32 CO 0.00 -0.19 -0.14 0.50 0.00 0.00 0.00 175.76 175.93 1pvj s ARG 33 N -3.28 3.11 0.07 0.00 3.52 0.33 -4.70 118.95 118.00 1pvj s ARG 33 Ca 0.65 -0.77 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 1pvj s ARG 33 Cb -0.14 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1pvj s ARG 33 CO 0.19 -0.22 -0.04 -0.80 -0.81 0.00 0.00 175.30 173.63 1pvj s ASN 34 N 1.35 4.81 0.00 -2.12 0.01 -1.26 -4.52 114.94 113.22 1pvj s ASN 34 Ca 0.05 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1pvj s ASN 34 Cb -0.14 -1.11 0.00 0.00 0.41 0.00 0.00 41.25 40.42 1pvj s ASN 34 CO -0.09 0.21 0.00 1.21 -1.51 0.00 0.00 177.10 176.92 1pvj n GLU 35 N 0.89 0.00 -0.32 -0.60 0.00 -1.26 0.22 120.64 119.56 1pvj n GLU 35 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.13 1pvj n GLU 35 Cb 0.52 0.00 0.22 0.00 0.00 0.00 0.00 31.44 32.18 1pvj n GLU 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1pvj h LYS 36 N 0.00 0.03 0.56 5.31 -0.00 -1.98 0.16 116.57 120.64 1pvj h LYS 36 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1pvj h LYS 36 Cb 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 32.23 32.23 1pvj h LYS 36 CO 0.00 0.02 -0.27 1.49 -0.00 0.00 0.00 179.45 180.69 1pvj h GLU 37 N 0.03 -0.72 -0.09 0.07 4.22 0.22 -0.51 114.58 117.81 1pvj h GLU 37 Ca 0.52 0.05 0.04 0.00 0.08 0.00 0.00 59.36 60.04 1pvj h GLU 37 Cb 0.97 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1pvj h GLU 37 CO -0.87 -0.46 -0.43 0.00 -2.18 0.00 0.00 179.01 175.07 1pvj h ALA 38 N -0.38 -0.64 -0.93 2.92 0.00 -0.69 0.32 119.26 119.86 1pvj h ALA 38 Ca -0.08 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1pvj h ALA 38 Cb 0.60 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1pvj h ALA 38 CO 0.13 -0.95 0.40 -0.22 0.00 0.00 0.00 179.25 178.61 1pvj h LYS 39 N -0.53 0.31 -0.15 0.00 3.64 -0.73 0.63 116.57 119.74 1pvj h LYS 39 Ca 0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1pvj h LYS 39 Cb 0.64 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1pvj h LYS 39 CO -0.38 0.20 -0.02 0.22 -2.27 0.00 0.00 179.45 177.21 1pvj h ASP 40 N 0.31 0.27 -0.98 4.20 1.82 0.88 -2.49 116.42 120.43 1pvj h ASP 40 Ca 0.62 -0.34 0.19 0.00 -0.39 0.00 0.00 57.03 57.11 1pvj h ASP 40 Cb 1.29 -0.07 -0.11 0.00 0.68 0.00 0.00 39.33 41.12 1pvj h ASP 40 CO -0.60 0.55 0.58 0.28 -1.61 0.00 0.00 179.24 178.44 1pvj h SER 41 N -0.01 0.72 0.06 2.28 0.02 0.37 0.10 113.55 117.09 1pvj h SER 41 Ca 0.04 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1pvj h SER 41 Cb 0.42 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1pvj h SER 41 CO 0.01 0.24 -0.03 0.00 -1.14 0.00 0.00 176.83 175.91 1pvj h ALA 42 N 1.65 -1.02 -0.89 3.77 0.00 -0.28 -1.14 119.26 121.35 1pvj h ALA 42 Ca 0.57 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.70 1pvj h ALA 42 Cb 0.90 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 1pvj h ALA 42 CO -0.40 -1.01 0.32 0.82 0.00 0.00 0.00 179.25 178.98 1pvj h ILE 43 N -0.09 0.36 -0.30 0.00 2.04 -1.06 0.45 117.51 118.92 1pvj h ILE 43 Ca -0.01 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1pvj h ILE 43 Cb 0.07 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 1pvj h ILE 43 CO 0.01 0.05 0.07 0.74 0.00 0.00 0.00 178.15 179.03 1pvj h THR 44 N 0.28 0.87 -0.47 -0.27 2.02 -0.94 0.67 112.91 115.07 1pvj h THR 44 Ca 0.57 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.71 1pvj h THR 44 Cb 1.15 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1pvj h THR 44 CO -0.61 0.03 0.28 0.15 0.37 0.00 0.00 175.52 175.75 1pvj h PHE 45 N 0.18 0.53 0.91 3.16 3.57 0.11 0.58 116.94 125.99 1pvj h PHE 45 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1pvj h PHE 45 Cb 0.13 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.71 1pvj h PHE 45 CO -0.16 0.31 -0.44 0.82 -2.23 0.00 0.00 178.31 176.62 1pvj h ILE 46 N 0.57 0.03 -0.96 1.41 2.04 -0.11 -3.11 117.51 117.38 1pvj h ILE 46 Ca 0.18 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1pvj h ILE 46 Cb -0.00 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.03 1pvj h ILE 46 CO -0.08 0.00 0.60 1.56 0.00 0.00 0.00 178.15 180.24 1pvj h GLN 47 N -1.31 0.97 0.00 2.37 4.20 0.51 -3.51 115.11 118.34 1pvj h GLN 47 Ca -0.12 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1pvj h GLN 47 Cb 0.94 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1pvj h GLN 47 CO 0.21 0.64 0.00 1.63 -0.67 0.00 0.00 178.83 180.64 1pvj n LYS 48 N -4.62 0.00 0.00 1.46 4.76 0.20 -5.08 118.16 114.89 1pvj n LYS 48 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1pvj n LYS 48 Cb 0.29 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 -0.24 0.00 -5.12 -0.18 -6.64 -1.26 -4.98 119.36 100.94 1pvj n ILE 62 Ca 0.00 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.69 1pvj n ILE 62 Cb 0.00 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.04 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 -4.73 2.09 -0.17 6.28 2.20 -1.26 -5.08 119.74 119.07 1pvj s LYS 63 Ca 0.00 -0.81 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1pvj s LYS 63 Cb 0.00 -1.88 0.02 0.00 -1.51 0.00 0.00 37.83 34.46 1pvj s LYS 63 CO 0.00 0.40 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.69 1pvj s LEU 64 N -0.29 2.03 -0.25 5.43 1.43 -1.26 -1.48 118.68 124.29 1pvj s LEU 64 Ca 0.02 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1pvj s LEU 64 Cb -0.11 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1pvj s LEU 64 CO 0.01 -0.01 0.14 -1.81 0.23 0.00 0.00 176.35 174.92 1pvj s ASP 65 N 1.30 5.78 0.43 2.29 -0.00 -0.04 -4.88 116.67 121.55 1pvj s ASP 65 Ca 0.04 -0.02 -0.24 0.00 -0.00 0.00 0.00 52.55 52.33 1pvj s ASP 65 Cb -0.13 -2.05 -0.08 0.00 -0.00 0.00 0.00 42.92 40.66 1pvj s ASP 65 CO -0.12 0.01 1.18 -0.75 -0.00 0.00 0.00 175.17 175.49 1pvj s LYS 66 N 1.40 3.88 -0.03 8.23 2.20 -1.26 0.40 119.74 134.55 1pvj s LYS 66 Ca 0.06 1.84 -0.07 0.00 -0.36 0.00 0.00 55.97 57.44 1pvj s LYS 66 Cb -0.15 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1pvj s LYS 66 CO 0.06 -0.47 0.22 0.08 -0.36 0.00 0.00 175.35 174.89 1pvj s VAL 67 N -1.47 5.37 -0.33 4.02 1.01 0.23 -4.84 120.40 124.39 1pvj s VAL 67 Ca 0.61 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 1pvj s VAL 67 Cb -0.30 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1pvj s VAL 67 CO 0.37 0.45 0.18 0.54 0.00 0.00 0.00 175.10 176.64 1pvj s ASN 68 N -1.51 5.67 0.21 3.32 2.20 -1.26 -4.67 114.94 118.90 1pvj s ASN 68 Ca 0.24 -0.66 0.09 0.00 -0.94 0.00 0.00 52.86 51.59 1pvj s ASN 68 Cb -0.13 -2.03 -0.04 0.00 -2.00 0.00 0.00 41.25 37.05 1pvj s ASN 68 CO 0.13 -0.26 -0.09 -1.48 -2.94 0.00 0.00 177.10 172.46 1pvj s LEU 69 N 1.61 2.96 0.00 3.54 2.34 -1.26 -4.93 118.68 122.94 1pvj s LEU 69 Ca 0.04 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 53.58 1pvj s LEU 69 Cb -0.18 -1.60 0.00 0.00 -0.56 0.00 0.00 46.19 43.86 1pvj s LEU 69 CO 0.07 0.08 0.00 0.61 -1.06 0.00 0.00 176.35 176.05 1pvj n GLY 70 N -0.20 2.28 0.00 -3.48 0.00 -1.26 -4.48 105.19 98.05 1pvj n GLY 70 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 4.04 0.00 0.21 -0.02 0.00 -1.26 0.13 105.19 108.30 1pvj n GLY 71 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.15 -0.89 1.61 -0.00 -1.99 -2.56 114.58 110.90 1pvj h GLU 72 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 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 0.41 0.00 1.28 -0.00 0.00 0.00 179.01 180.70 1pvj n LEU 73 N -4.18 1.91 -4.87 3.06 4.77 0.12 -4.84 117.00 112.97 1pvj n LEU 73 Ca -0.01 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1pvj n LEU 73 Cb 0.35 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1pvj n LEU 73 CO 0.39 0.32 0.75 -0.94 -1.33 0.00 0.00 177.39 176.58 1pvj s SER 74 N -0.18 5.20 0.00 -1.43 1.04 0.35 -4.53 113.70 114.15 1pvj s SER 74 Ca 0.11 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1pvj s SER 74 Cb 0.08 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1pvj s SER 74 CO 0.03 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.36 1pvj n GLY 75 N -2.91 -1.85 1.88 7.32 0.00 -1.26 -4.75 105.19 103.62 1pvj n GLY 75 Ca 0.07 -1.94 0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.02 1.14 0.17 1.61 3.41 -1.26 -4.76 113.62 113.94 1pvj n SER 76 Ca 0.00 -2.01 0.13 0.00 -0.26 0.00 0.00 58.87 56.74 1pvj n SER 76 Cb 0.00 -0.34 0.51 0.00 -0.26 0.00 0.00 64.21 64.12 1pvj n SER 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pvj h ASN 77 N 1.45 0.00 -4.85 4.04 2.35 -1.88 -3.38 115.58 113.31 1pvj h ASN 77 Ca -0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.44 1pvj h ASN 77 Cb 1.71 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.88 1pvj h ASN 77 CO 0.12 0.00 -0.18 -0.32 -1.65 0.00 0.00 177.43 175.40 1pvj s MET 78 N -3.36 0.72 0.06 0.81 0.00 -1.26 -0.15 119.30 116.11 1pvj s MET 78 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 55.69 55.78 1pvj s MET 78 Cb 0.09 0.33 -0.03 0.00 0.00 0.00 0.00 34.83 35.23 1pvj s MET 78 CO 0.47 -0.20 -0.16 0.71 0.00 0.00 0.00 175.02 175.85 1pvj s TYR 79 N -1.11 1.38 -0.08 4.11 1.51 0.23 -4.84 117.35 118.55 1pvj s TYR 79 Ca -0.11 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1pvj s TYR 79 Cb -0.04 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1pvj s TYR 79 CO 0.05 0.07 -0.07 0.08 -1.11 0.00 0.00 175.55 174.57 1pvj s VAL 80 N -0.99 0.83 -0.13 0.71 1.01 -1.26 0.58 120.40 121.15 1pvj s VAL 80 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1pvj s VAL 80 Cb -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1pvj s VAL 80 CO 0.02 0.31 -0.16 -0.31 0.00 0.00 0.00 175.10 174.96 1pvj s TYR 81 N 1.31 2.18 -0.20 5.22 1.51 -0.88 0.77 117.35 127.26 1pvj s TYR 81 Ca -0.04 -1.13 -0.24 0.00 -1.01 0.00 0.00 57.07 54.65 1pvj s TYR 81 Cb -0.14 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1pvj s TYR 81 CO -0.03 -0.59 0.79 -0.80 -1.11 0.00 0.00 175.55 173.82 1pvj s ASN 82 N 1.18 6.86 0.09 2.29 0.01 0.16 -2.35 114.94 123.18 1pvj s ASN 82 Ca -0.02 1.06 -0.31 0.00 -0.71 0.00 0.00 52.86 52.89 1pvj s ASN 82 Cb -0.14 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 1pvj s ASN 82 CO -0.06 -0.42 1.34 -0.63 -1.51 0.00 0.00 177.10 175.83 1pvj s ILE 83 N 2.34 3.54 0.29 0.60 1.01 -0.38 -0.86 121.20 127.74 1pvj s ILE 83 Ca 0.35 1.09 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1pvj s ILE 83 Cb -0.16 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.71 1pvj s ILE 83 CO 0.10 0.08 1.77 0.77 0.00 0.00 0.00 174.94 177.66 1pvj h SER 84 N 6.90 0.52 0.84 3.58 4.64 -1.56 -2.05 113.55 126.43 1pvj h SER 84 Ca -0.42 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1pvj h SER 84 Cb 1.21 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1pvj h SER 84 CO 0.85 0.70 0.00 0.35 -0.87 0.00 0.00 176.83 177.86 1pvj n THR 85 N -4.18 0.27 0.00 2.95 -2.24 -1.26 -4.93 114.28 104.89 1pvj n THR 85 Ca 0.00 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1pvj n THR 85 Cb 0.35 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 1.08 4.70 0.00 3.38 0.00 -0.77 -5.00 105.19 108.59 1pvj n GLY 86 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.44 -2.80 3.64 -0.02 0.00 0.60 -4.50 105.19 100.66 1pvj n GLY 87 Ca 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.46 -0.22 -0.14 1.61 -0.12 0.40 -1.25 117.98 117.80 1pvj s PHE 88 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 56.93 56.82 1pvj s PHE 88 Cb 0.00 0.59 0.06 0.00 -0.63 0.00 0.00 43.02 43.04 1pvj s PHE 88 CO 0.00 -0.67 0.31 0.08 -0.05 0.00 0.00 175.22 174.88 1pvj s VAL 89 N -3.16 -0.25 -0.25 -2.49 1.01 -0.99 -0.77 120.40 113.50 1pvj s VAL 89 Ca 0.09 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1pvj s VAL 89 Cb -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1pvj s VAL 89 CO -0.03 0.08 0.10 -0.63 0.00 0.00 0.00 175.10 174.61 1pvj s ILE 90 N 1.86 4.62 -0.04 2.22 1.01 0.10 -2.06 121.20 128.91 1pvj s ILE 90 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1pvj s ILE 90 Cb -0.11 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1pvj s ILE 90 CO -0.10 0.34 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 1pvj s VAL 91 N 1.45 3.47 0.35 2.92 1.01 0.20 -1.63 120.40 128.16 1pvj s VAL 91 Ca 0.06 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1pvj s VAL 91 Cb -0.15 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 1pvj s VAL 91 CO 0.05 0.53 1.09 -0.94 0.00 0.00 0.00 175.10 175.84 1pvj s SER 92 N -0.97 6.94 -0.16 3.32 1.04 -0.40 0.74 113.70 124.19 1pvj s SER 92 Ca 0.13 2.20 0.16 0.00 0.48 0.00 0.00 55.95 58.93 1pvj s SER 92 Cb -0.11 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 64.16 1pvj s SER 92 CO 0.03 -0.37 1.67 0.61 0.98 0.00 0.00 173.24 176.16 1pvj n GLY 93 N 0.77 2.80 3.05 7.32 0.00 0.79 -4.77 105.19 115.15 1pvj n GLY 93 Ca 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.83 -0.51 0.63 1.61 -1.08 -1.26 -0.51 116.67 114.72 1pvj s ASP 94 Ca 0.52 0.57 0.06 0.00 -0.52 0.00 0.00 52.55 53.19 1pvj s ASP 94 Cb 0.36 1.60 0.35 0.00 -1.46 0.00 0.00 42.92 43.78 1pvj s ASP 94 CO 0.21 -0.28 1.18 0.11 0.52 0.00 0.00 175.17 176.91 1pvj h LYS 95 N 8.10 0.00 -0.03 4.34 1.57 -0.39 0.60 116.57 130.76 1pvj h LYS 95 Ca -0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1pvj h LYS 95 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1pvj h LYS 95 CO 0.26 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.52 1pvj h ARG 96 N 0.00 0.12 -7.10 3.15 3.08 -1.83 -2.55 114.38 109.25 1pvj h ARG 96 Ca 0.00 -0.09 -0.49 0.00 0.07 0.00 0.00 59.98 59.48 1pvj h ARG 96 Cb 1.66 0.01 0.05 0.00 0.08 0.00 0.00 29.97 31.77 1pvj h ARG 96 CO 0.00 0.70 0.20 -1.12 -1.07 0.00 0.00 179.97 178.68 1pvj s SER 97 N -6.87 5.91 0.59 7.04 0.01 0.20 -3.48 113.70 117.09 1pvj s SER 97 Ca -0.03 0.91 -0.19 0.00 1.31 0.00 0.00 55.95 57.95 1pvj s SER 97 Cb 0.12 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1pvj s SER 97 CO 0.78 -0.87 1.23 -2.16 0.41 0.00 0.00 173.24 172.63 1pvj s PRO 98 N -4.94 2.98 0.02 12.44 0.04 -1.26 -4.65 135.00 139.63 1pvj s PRO 98 Ca 0.52 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.29 1pvj s PRO 98 Cb -0.11 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1pvj s PRO 98 CO 0.47 -1.22 1.10 1.49 0.04 0.00 0.00 177.00 178.87 1pvj h GLU 99 N 0.97 -0.58 -4.74 4.56 4.81 -1.92 -3.38 114.58 114.30 1pvj h GLU 99 Ca -0.51 0.04 -0.70 0.00 -0.13 0.00 0.00 59.36 58.06 1pvj h GLU 99 Cb 1.30 0.13 -0.20 0.00 0.63 0.00 0.00 28.75 30.62 1pvj h GLU 99 CO 0.55 -0.39 -0.16 0.42 -0.73 0.00 0.00 179.01 178.70 1pvj s ILE 100 N -4.06 5.06 -0.19 2.32 -1.09 -1.26 -1.28 121.20 120.70 1pvj s ILE 100 Ca -0.09 -0.60 0.18 0.00 -2.23 0.00 0.00 60.65 57.91 1pvj s ILE 100 Cb 0.01 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1pvj s ILE 100 CO 0.26 -0.59 1.18 -0.07 -1.23 0.00 0.00 174.94 174.49 1pvj h LEU 101 N 9.18 0.00 -7.00 2.97 3.38 -1.55 -3.48 115.31 118.81 1pvj h LEU 101 Ca -0.27 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.94 1pvj h LEU 101 Cb 1.11 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 1pvj h LEU 101 CO 0.87 0.40 0.83 -0.83 0.09 0.00 0.00 178.44 179.80 1pvj s GLY 102 N -4.54 -0.21 0.16 0.83 0.00 -1.20 -1.79 107.32 100.57 1pvj s GLY 102 Ca 0.01 1.90 -0.24 0.00 0.00 0.00 0.00 44.72 46.38 1pvj s GLY 102 CO 0.77 0.69 0.82 -2.52 0.00 0.00 0.00 173.10 172.85 1pvj s TYR 103 N -2.02 -0.26 -0.22 1.90 -0.85 0.07 0.01 117.35 115.98 1pvj s TYR 103 Ca 0.09 -0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.48 1pvj s TYR 103 Cb -0.01 0.62 0.07 0.00 0.38 0.00 0.00 41.96 43.03 1pvj s TYR 103 CO -0.04 -0.89 0.53 0.45 -1.52 0.00 0.00 175.55 174.08 1pvj s SER 104 N -2.81 -0.70 0.47 -0.18 0.15 0.05 -0.79 113.70 109.89 1pvj s SER 104 Ca 0.08 1.18 0.16 0.00 0.70 0.00 0.00 55.95 58.07 1pvj s SER 104 Cb -0.02 1.11 1.11 0.00 -1.71 0.00 0.00 66.02 66.51 1pvj s SER 104 CO -0.01 -0.22 2.05 0.71 1.20 0.00 0.00 173.24 176.97 1pvj h THR 105 N 5.38 1.06 -4.31 6.45 1.35 -1.90 0.11 112.91 121.05 1pvj h THR 105 Ca -0.32 -0.42 -0.39 0.00 -0.55 0.00 0.00 66.41 64.72 1pvj h THR 105 Cb 1.20 1.23 -0.09 0.00 -1.73 0.00 0.00 68.15 68.76 1pvj h THR 105 CO 0.22 0.12 -0.33 -1.54 -0.25 0.00 0.00 175.52 173.74 1pvj n SER 106 N -4.36 0.91 0.00 5.36 3.41 -1.26 -3.35 113.62 114.33 1pvj n SER 106 Ca -0.03 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1pvj n SER 106 Cb 0.20 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.00 0.40 3.70 5.00 0.00 -1.26 -3.61 105.19 109.43 1pvj n GLY 107 Ca -0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.28 0.00 1.61 1.04 -1.26 -0.30 113.70 110.52 1pvj s SER 108 Ca 0.00 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1pvj s SER 108 Cb 0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1pvj s SER 108 CO 0.00 -1.00 -0.10 0.12 0.98 0.00 0.00 173.24 173.24 1pvj s PHE 109 N -3.51 2.80 -0.25 5.02 5.36 -1.26 -0.75 117.98 125.39 1pvj s PHE 109 Ca 0.09 -0.10 -0.26 0.00 -0.96 0.00 0.00 56.93 55.70 1pvj s PHE 109 Cb -0.03 -1.58 0.12 0.00 -0.34 0.00 0.00 43.02 41.20 1pvj s PHE 109 CO -0.00 0.32 1.03 0.34 -1.46 0.00 0.00 175.22 175.45 1pvj s ASP 110 N -1.33 -0.43 -0.00 6.13 -1.08 -1.26 -4.90 116.67 113.81 1pvj s ASP 110 Ca 0.16 0.75 0.01 0.00 -0.52 0.00 0.00 52.55 52.94 1pvj s ASP 110 Cb -0.11 0.74 -0.01 0.00 -1.46 0.00 0.00 42.92 42.08 1pvj s ASP 110 CO 0.06 -0.19 0.02 0.00 0.52 0.00 0.00 175.17 175.58 1pvj n ALA 111 N 1.86 2.05 -1.47 3.66 0.00 -1.26 -4.65 120.51 120.71 1pvj n ALA 111 Ca -0.12 -0.02 -0.58 0.00 0.00 0.00 0.00 53.44 52.72 1pvj n ALA 111 Cb 0.56 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.21 1.49 0.00 0.00 3.02 -1.26 0.25 115.26 117.55 1pvj n ASN 112 Ca 0.00 0.77 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1pvj n ASN 112 Cb 0.01 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 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 6.06 2.87 3.43 7.41 0.00 -1.26 -4.91 105.19 118.79 1pvj n GLY 113 Ca 0.42 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 3.93 0.20 1.61 1.02 0.14 -4.87 119.74 121.77 1pvj s LYS 114 Ca 0.00 -2.44 -0.10 0.00 0.02 0.00 0.00 55.97 53.45 1pvj s LYS 114 Cb 0.00 -4.90 0.23 0.00 -0.52 0.00 0.00 37.83 32.64 1pvj s LYS 114 CO 0.00 -1.66 1.78 1.49 -0.92 0.00 0.00 175.35 176.05 1pvj h GLU 115 N 7.59 0.53 -0.72 1.68 4.57 -1.91 -1.89 114.58 124.44 1pvj h GLU 115 Ca 0.24 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1pvj h GLU 115 Cb 0.93 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1pvj h GLU 115 CO 1.13 0.35 0.47 -2.95 -1.18 0.00 0.00 179.01 176.84 1pvj h ASN 116 N 0.55 0.55 -0.21 1.04 -1.07 -1.90 0.35 115.58 114.89 1pvj h ASN 116 Ca 0.28 0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.46 1pvj h ASN 116 Cb 0.24 -0.10 0.01 0.00 -2.07 0.00 0.00 38.32 36.40 1pvj h ASN 116 CO -0.22 0.33 -0.67 0.40 0.07 0.00 0.00 177.43 177.34 1pvj h ILE 117 N 0.61 1.28 -0.23 6.14 2.04 -1.73 -3.02 117.51 122.60 1pvj h ILE 117 Ca 0.33 -1.86 -0.20 0.00 1.00 0.00 0.00 64.86 64.13 1pvj h ILE 117 Cb 0.47 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1pvj h ILE 117 CO -0.11 0.60 -0.62 0.00 0.00 0.00 0.00 178.15 178.01 1pvj h ALA 118 N 0.60 0.45 -0.32 1.87 0.00 -0.71 -2.51 119.26 118.64 1pvj h ALA 118 Ca -0.02 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.42 1pvj h ALA 118 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1pvj h ALA 118 CO 0.14 0.69 0.23 1.03 0.00 0.00 0.00 179.25 181.33 1pvj h SER 119 N 0.60 0.04 0.24 0.00 0.87 -0.31 0.19 113.55 115.18 1pvj h SER 119 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1pvj h SER 119 Cb 1.23 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1pvj h SER 119 CO 0.13 0.03 -0.11 0.15 -0.53 0.00 0.00 176.83 176.50 1pvj h PHE 120 N 0.05 -0.29 -1.00 2.24 3.57 -1.37 -3.06 116.94 117.08 1pvj h PHE 120 Ca 0.15 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.93 1pvj h PHE 120 Cb 0.53 0.10 -0.14 0.00 2.79 0.00 0.00 35.95 39.23 1pvj h PHE 120 CO -0.00 -0.12 0.56 0.52 -2.23 0.00 0.00 178.31 177.04 1pvj h MET 121 N -1.06 0.41 -0.39 1.11 2.86 -1.01 0.48 114.93 117.32 1pvj h MET 121 Ca -0.03 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1pvj h MET 121 Cb 0.31 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 1pvj h MET 121 CO 0.05 0.27 0.11 0.93 1.06 0.00 0.00 176.91 179.34 1pvj h GLU 122 N 0.42 0.25 0.18 1.72 5.08 -0.69 -2.04 114.58 119.50 1pvj h GLU 122 Ca 0.69 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.03 1pvj h GLU 122 Cb 1.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pvj h GLU 122 CO -0.56 0.17 -0.09 0.66 -1.00 0.00 0.00 179.01 178.20 1pvj h SER 123 N 0.26 -0.20 -0.99 1.42 4.64 0.03 0.56 113.55 119.27 1pvj h SER 123 Ca 0.18 -0.02 0.23 0.00 -0.47 0.00 0.00 61.79 61.71 1pvj h SER 123 Cb 0.19 0.05 -0.19 0.00 -0.31 0.00 0.00 62.40 62.14 1pvj h SER 123 CO -0.21 -0.11 -0.13 -1.22 -0.87 0.00 0.00 176.83 174.29 1pvj n TYR 124 N -5.18 0.48 0.13 4.77 0.53 -0.77 -1.93 117.16 115.19 1pvj n TYR 124 Ca -0.09 1.21 -0.05 0.00 -1.02 0.00 0.00 57.90 57.95 1pvj n TYR 124 Cb 0.13 -1.15 -0.02 0.00 -1.03 0.00 0.00 39.34 37.26 1pvj n TYR 124 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1pvj h VAL 125 N 0.00 0.00 0.00 -0.72 2.07 -0.76 -0.21 116.25 116.63 1pvj h VAL 125 Ca 0.53 -0.11 -0.33 0.00 0.82 0.00 0.00 66.70 67.61 1pvj h VAL 125 Cb 0.96 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1pvj h VAL 125 CO -0.98 0.00 2.23 -1.84 0.02 0.00 0.00 177.57 176.99 1pvj n GLU 126 N -3.21 1.90 0.00 1.57 0.28 0.13 0.12 120.64 121.43 1pvj n GLU 126 Ca -0.04 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.65 1pvj n GLU 126 Cb 0.13 -2.35 0.00 0.00 1.43 0.00 0.00 31.44 30.65 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 4.02 0.00 0.19 3.44 7.27 -0.99 -4.77 117.38 126.54 1pvj n GLN 127 Ca 0.41 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.52 1pvj n GLN 127 Cb 0.18 0.00 0.37 0.00 2.41 0.00 0.00 30.24 33.19 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 1.04 -0.05 1.69 2.04 0.16 -2.48 117.51 119.90 1pvj h ILE 128 Ca 0.00 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1pvj h ILE 128 Cb 0.00 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1pvj h ILE 128 CO 0.00 0.37 -0.17 0.11 0.00 0.00 0.00 178.15 178.47 1pvj h LYS 129 N 0.00 0.21 -0.00 2.37 1.57 -1.72 -2.99 116.57 116.00 1pvj h LYS 129 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pvj h LYS 129 Cb 0.79 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1pvj h LYS 129 CO 0.05 0.77 0.08 0.93 -0.57 0.00 0.00 179.45 180.71 1pvj h GLU 130 N -0.32 0.00 0.00 3.15 5.08 -1.74 0.20 114.58 120.96 1pvj h GLU 130 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pvj h GLU 130 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1pvj h GLU 130 CO 0.04 0.00 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.04 1pvj h ASN 131 N 0.00 0.00 0.18 1.42 2.35 -1.31 -3.18 115.58 115.05 1pvj h ASN 131 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pvj h ASN 131 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1pvj h ASN 131 CO -0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 1pvj n LYS 132 N -2.88 0.30 0.21 0.81 5.02 0.72 -1.97 118.16 120.37 1pvj n LYS 132 Ca 0.04 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1pvj n LYS 132 Cb 0.51 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.42 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 -3.45 116.57 115.21 1pvj h LYS 133 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1pvj h LYS 133 Cb 0.09 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.79 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 -2.87 0.00 0.00 2.94 7.99 -0.83 -5.04 117.00 119.19 1pvj n LEU 134 Ca 0.03 -1.19 0.00 0.00 -0.01 0.00 0.00 56.01 54.84 1pvj n LEU 134 Cb 0.41 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1pvj n LEU 134 CO 0.30 -0.77 0.06 -0.90 -1.51 0.00 0.00 177.39 174.57 1pvj n ASP 135 N -2.94 0.13 -4.96 -1.43 5.75 -1.26 -5.07 116.55 106.76 1pvj n ASP 135 Ca 0.09 -1.01 -0.22 0.00 -0.01 0.00 0.00 54.79 53.64 1pvj n ASP 135 Cb 0.33 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.01 5.02 0.61 2.12 -4.23 -1.26 -5.10 115.64 112.79 1pvj s THR 136 Ca 0.00 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1pvj s THR 136 Cb 0.00 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1pvj s THR 136 CO 0.00 -0.38 0.90 -0.89 -0.54 0.00 0.00 174.62 173.71 1pvj s THR 137 N -2.13 3.10 0.30 3.99 2.01 -1.26 -4.65 115.64 117.00 1pvj s THR 137 Ca 0.38 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1pvj s THR 137 Cb -0.09 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 1pvj s THR 137 CO 0.32 -0.23 1.36 -0.47 -0.69 0.00 0.00 174.62 174.90 1pvj s TYR 138 N -3.00 3.02 0.00 4.92 5.04 -0.96 -4.96 117.35 121.41 1pvj s TYR 138 Ca 0.56 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1pvj s TYR 138 Cb -0.11 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1pvj s TYR 138 CO 0.43 -2.18 0.00 0.00 -1.34 0.00 0.00 175.55 172.46 1pvj n ALA 139 N 1.37 0.00 0.00 3.97 0.00 -1.26 -5.06 120.51 119.53 1pvj n ALA 139 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pvj n ALA 139 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.57 0.00 7.27 -1.26 -5.17 117.38 115.65 1pvj n GLN 146 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 1pvj n GLN 146 Cb 0.00 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.73 1pvj n GLN 146 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1pvj n PRO 147 N 1.10 0.34 -4.77 3.69 -0.04 -1.26 -4.70 135.00 129.36 1pvj n PRO 147 Ca 0.00 -2.62 -0.33 0.00 -0.04 0.00 0.00 63.50 60.51 1pvj n PRO 147 Cb 0.00 -0.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 1pvj n PRO 147 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pvj s VAL 148 N -2.44 3.09 -0.12 0.52 1.01 -1.26 -3.34 120.40 117.85 1pvj s VAL 148 Ca 0.56 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1pvj s VAL 148 Cb -0.04 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1pvj s VAL 148 CO 0.37 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 175.15 1pvj s VAL 149 N 0.26 1.53 0.08 2.92 1.01 -0.66 -4.94 120.40 120.60 1pvj s VAL 149 Ca -0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1pvj s VAL 149 Cb -0.15 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1pvj s VAL 149 CO 0.05 0.45 0.98 -0.54 0.00 0.00 0.00 175.10 176.04 1pvj s LYS 150 N 1.12 4.65 -0.13 2.72 -0.14 -1.26 -0.41 119.74 126.29 1pvj s LYS 150 Ca -0.03 1.46 -0.12 0.00 -1.36 0.00 0.00 55.97 55.92 1pvj s LYS 150 Cb -0.14 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.56 1pvj s LYS 150 CO -0.04 0.13 0.51 0.45 -0.76 0.00 0.00 175.35 175.64 1pvj n SER 151 N 3.09 0.23 -0.03 2.83 2.88 -1.26 -4.77 113.62 116.60 1pvj n SER 151 Ca 0.03 0.22 -0.12 0.00 -1.33 0.00 0.00 58.87 57.68 1pvj n SER 151 Cb 0.49 -0.23 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.00 0.16 -0.56 2.46 3.38 -0.20 -2.34 115.31 120.22 1pvj h LEU 152 Ca -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1pvj h LEU 152 Cb 0.37 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1pvj h LEU 152 CO 0.27 0.36 0.30 -0.07 0.09 0.00 0.00 178.44 179.39 1pvj h LEU 153 N -0.03 0.71 -1.61 1.67 4.07 -1.87 -2.33 115.31 115.91 1pvj h LEU 153 Ca 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1pvj h LEU 153 Cb 0.26 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1pvj h LEU 153 CO 0.00 0.61 0.13 0.44 -1.08 0.00 0.00 178.44 178.53 1pvj h ASP 154 N 0.75 0.34 0.38 -0.43 3.32 -1.81 0.11 116.42 119.09 1pvj h ASP 154 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1pvj h ASP 154 Cb 0.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pvj h ASP 154 CO -0.03 0.30 0.00 0.77 -1.72 0.00 0.00 179.24 178.56 1pvj h SER 155 N 0.39 0.00 -0.00 6.45 4.64 -0.85 -0.26 113.55 123.92 1pvj h SER 155 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1pvj h SER 155 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1pvj h SER 155 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1pvj n LYS 156 N -2.30 1.94 -3.38 4.77 5.02 0.33 -4.98 118.16 119.56 1pvj n LYS 156 Ca 0.00 -2.17 -0.24 0.00 -2.02 0.00 0.00 58.31 53.87 1pvj n LYS 156 Cb 0.14 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.08 -0.50 3.53 0.72 0.00 -0.11 -4.84 105.19 102.91 1pvj n GLY 157 Ca 0.10 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.07 4.80 -0.33 -0.61 1.01 -0.82 -4.26 121.20 117.92 1pvj s ILE 158 Ca 0.43 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1pvj s ILE 158 Cb -0.21 -4.22 0.13 0.00 0.01 0.00 0.00 42.46 38.16 1pvj s ILE 158 CO 0.53 -0.60 0.19 -1.00 0.00 0.00 0.00 174.94 174.05 1pvj s HIS 159 N 2.90 0.59 0.58 3.97 3.76 -0.15 -4.65 115.29 122.29 1pvj s HIS 159 Ca 0.24 -1.40 -0.00 0.00 -0.15 0.00 0.00 55.06 53.75 1pvj s HIS 159 Cb -0.14 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.69 1pvj s HIS 159 CO 0.19 -0.83 0.82 0.71 -0.85 0.00 0.00 174.74 174.79 1pvj s TYR 160 N 1.38 2.82 0.00 1.40 4.12 -1.26 -4.52 117.35 121.28 1pvj s TYR 160 Ca 0.15 0.05 0.00 0.00 0.02 0.00 0.00 57.07 57.29 1pvj s TYR 160 Cb -0.21 -2.83 0.00 0.00 -1.52 0.00 0.00 41.96 37.40 1pvj s TYR 160 CO -0.10 -0.99 0.00 -1.71 0.02 0.00 0.00 175.55 172.77 1pvj n ASN 161 N -2.45 0.51 -0.08 2.29 2.85 -1.26 -1.23 115.26 115.89 1pvj n ASN 161 Ca 0.08 -0.58 0.01 0.00 -0.11 0.00 0.00 54.58 53.99 1pvj n ASN 161 Cb 0.60 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.62 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 0.56 0.00 1.20 6.02 -1.26 -4.85 117.38 119.05 1pvj n GLN 162 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1pvj n GLN 162 Cb 0.00 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 0.30 2.19 3.75 1.08 0.00 -1.26 -1.72 105.19 109.53 1pvj n GLY 163 Ca 0.01 -1.80 -0.41 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 -0.83 7.36 0.00 1.61 3.84 -1.26 0.90 114.94 126.56 1pvj s ASN 164 Ca 0.00 2.10 0.27 0.00 0.21 0.00 0.00 52.86 55.44 1pvj s ASN 164 Cb 0.00 -2.61 0.83 0.00 -0.55 0.00 0.00 41.25 38.92 1pvj s ASN 164 CO 0.00 -0.11 1.61 -0.81 -2.79 0.00 0.00 177.10 175.01 1pvj n PRO 165 N 1.85 1.51 -0.14 0.43 -0.04 -1.26 -4.87 135.00 132.48 1pvj n PRO 165 Ca 0.00 -0.96 -0.03 0.00 -0.04 0.00 0.00 63.50 62.47 1pvj n PRO 165 Cb 0.46 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.34 0.08 -0.05 0.54 -1.99 -1.09 -1.06 116.97 115.75 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 0.57 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1pvj h TYR 166 CO 0.00 -0.04 0.00 0.27 -0.00 0.00 0.00 178.16 178.39 1pvj n ASN 167 N -5.15 1.08 0.18 3.88 6.94 0.26 -4.01 115.26 118.44 1pvj n ASN 167 Ca 0.04 -2.05 0.12 0.00 -0.02 0.00 0.00 54.58 52.67 1pvj n ASN 167 Cb 0.22 -0.38 0.64 0.00 -2.36 0.00 0.00 39.78 37.90 1pvj n ASN 167 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1pvj h LEU 168 N 0.32 0.00 -2.60 -4.53 4.07 -1.41 -2.43 115.31 108.73 1pvj h LEU 168 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1pvj h LEU 168 Cb 0.47 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1pvj h LEU 168 CO 0.03 0.00 -0.28 0.18 -1.08 0.00 0.00 178.44 177.29 1pvj n LEU 169 N -2.33 1.36 -4.91 1.67 4.77 -1.26 -5.04 117.00 111.26 1pvj n LEU 169 Ca -0.02 -2.24 -0.27 0.00 -0.03 0.00 0.00 56.01 53.45 1pvj n LEU 169 Cb 0.06 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1pvj n LEU 169 CO 0.10 0.56 0.66 0.42 -1.33 0.00 0.00 177.39 177.80 1pvj s THR 170 N -1.60 2.62 0.29 -5.08 -4.23 -0.92 -4.85 115.64 101.88 1pvj s THR 170 Ca 0.20 -0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1pvj s THR 170 Cb 0.18 -3.15 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 1pvj s THR 170 CO 0.00 -0.17 1.50 -2.65 -0.54 0.00 0.00 174.62 172.76 1pvj n PRO 171 N -2.97 2.45 -2.67 3.99 -0.02 -1.26 -4.44 135.00 130.07 1pvj n PRO 171 Ca 0.07 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 1pvj n PRO 171 Cb 0.60 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.27 4.66 0.09 -1.45 1.01 -1.26 -0.15 120.40 123.02 1pvj s VAL 172 Ca 0.63 1.95 -0.34 0.00 0.00 0.00 0.00 61.98 64.22 1pvj s VAL 172 Cb -0.54 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.38 1pvj s VAL 172 CO 0.52 -0.22 1.62 -0.38 0.00 0.00 0.00 175.10 176.63 1pvj n ILE 173 N 5.41 0.13 -0.05 2.22 5.41 -0.27 -4.81 119.36 127.39 1pvj n ILE 173 Ca 0.12 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.85 1pvj n ILE 173 Cb 0.46 -1.51 -0.15 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 4.03 0.76 -4.37 0.38 1.02 -0.10 -0.98 120.64 121.38 1pvj n GLU 174 Ca 0.19 -0.10 -0.19 0.00 -0.02 0.00 0.00 57.16 57.04 1pvj n GLU 174 Cb 0.27 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.95 1.42 -0.20 3.49 1.02 -0.26 -4.92 119.74 117.34 1pvj s LYS 175 Ca -0.08 -1.70 -0.09 0.00 0.02 0.00 0.00 55.97 54.12 1pvj s LYS 175 Cb 0.09 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1pvj s LYS 175 CO 0.81 0.01 0.10 0.08 -0.92 0.00 0.00 175.35 175.43 1pvj s VAL 176 N -3.18 5.15 -0.20 3.17 1.01 -1.26 -4.58 120.40 120.51 1pvj s VAL 176 Ca 0.27 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1pvj s VAL 176 Cb 0.04 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1pvj s VAL 176 CO 0.09 0.44 1.13 -0.75 0.00 0.00 0.00 175.10 176.01 1pvj s LYS 177 N 0.41 4.26 0.11 2.72 2.20 -1.26 -4.94 119.74 123.24 1pvj s LYS 177 Ca 0.06 1.48 -0.35 0.00 -0.36 0.00 0.00 55.97 56.80 1pvj s LYS 177 Cb -0.12 -3.68 -0.16 0.00 -1.51 0.00 0.00 37.83 32.36 1pvj s LYS 177 CO -0.01 -0.65 1.27 -2.30 -0.36 0.00 0.00 175.35 173.30 1pvj n PRO 178 N 6.37 1.12 -0.97 4.03 -0.02 -1.26 -1.08 135.00 143.20 1pvj n PRO 178 Ca 0.13 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1pvj n PRO 178 Cb 0.46 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.32 0.42 3.03 -1.23 0.00 -1.26 -5.03 105.19 103.43 1pvj n GLY 179 Ca 0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.70 0.44 0.74 1.61 2.12 -0.24 -5.15 118.70 116.53 1pvj s GLU 180 Ca 0.00 -0.75 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 1pvj s GLU 180 Cb 0.00 -0.06 0.04 0.00 0.26 0.00 0.00 34.13 34.36 1pvj s GLU 180 CO 0.00 -0.01 1.08 -0.65 -0.54 0.00 0.00 175.26 175.13 1pvj s GLN 181 N -1.79 2.55 0.09 4.30 -0.21 -1.26 -4.61 119.66 118.72 1pvj s GLN 181 Ca -0.11 1.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.98 1pvj s GLN 181 Cb -0.08 -1.94 -0.06 0.00 1.00 0.00 0.00 33.01 31.93 1pvj s GLN 181 CO -0.01 -1.39 1.14 0.45 -2.12 0.00 0.00 175.29 173.35 1pvj s SER 182 N -3.63 7.18 -0.06 5.90 0.15 -1.26 -4.74 113.70 117.24 1pvj s SER 182 Ca 0.60 1.99 0.09 0.00 0.70 0.00 0.00 55.95 59.33 1pvj s SER 182 Cb -0.15 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.75 1pvj s SER 182 CO 0.55 -0.36 1.12 0.49 1.20 0.00 0.00 173.24 176.25 1pvj n PHE 183 N 3.41 0.17 -1.66 3.44 3.01 -1.26 -5.05 117.46 119.52 1pvj n PHE 183 Ca 0.06 -0.68 -0.46 0.00 1.01 0.00 0.00 57.45 57.38 1pvj n PHE 183 Cb 0.47 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.62 0.04 0.00 -4.37 0.31 -1.26 -0.86 118.33 111.58 1pvj n VAL 184 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1pvj n VAL 184 Cb 0.45 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 3.29 2.22 3.87 2.92 0.00 -0.16 -5.00 105.19 112.34 1pvj n GLY 185 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.61 3.75 0.22 1.61 -0.21 -0.04 -4.83 119.66 119.56 1pvj s GLN 186 Ca 0.00 0.56 -0.19 0.00 0.02 0.00 0.00 55.36 55.75 1pvj s GLN 186 Cb 0.00 -2.30 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 1pvj s GLN 186 CO 0.00 -0.18 0.71 -1.01 -2.12 0.00 0.00 175.29 172.69 1pvj s HIS 187 N -2.58 3.62 1.06 0.91 3.76 -1.26 -1.12 115.29 119.68 1pvj s HIS 187 Ca 0.53 1.34 -0.14 0.00 -0.15 0.00 0.00 55.06 56.64 1pvj s HIS 187 Cb -0.10 -2.59 0.16 0.00 1.11 0.00 0.00 32.58 31.15 1pvj s HIS 187 CO 0.36 0.32 0.63 0.00 -0.85 0.00 0.00 174.74 175.20 1pvj n ALA 188 N 0.63 -2.78 -1.92 -1.40 0.00 0.78 -4.83 120.51 110.99 1pvj n ALA 188 Ca -0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.14 1pvj n ALA 188 Cb 0.51 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 0.44 0.00 0.00 -0.64 -4.77 121.76 117.52 1pvj s ALA 189 Ca 0.62 0.17 0.20 0.00 0.00 0.00 0.00 51.96 52.95 1pvj s ALA 189 Cb -0.20 -3.02 1.20 0.00 0.00 0.00 0.00 23.12 21.09 1pvj s ALA 189 CO 0.65 -0.04 2.03 1.79 0.00 0.00 0.00 175.76 180.19 1pvj h THR 190 N 1.33 0.89 0.00 0.00 1.35 -1.68 -3.40 112.91 111.40 1pvj h THR 190 Ca -0.48 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1pvj h THR 190 Cb 1.18 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1pvj h THR 190 CO 0.62 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1pvj n GLY 191 N -0.88 0.83 0.19 5.82 0.00 -1.26 -4.55 105.19 105.34 1pvj n GLY 191 Ca -0.02 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 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 0.29 1.00 -0.32 0.00 -1.51 -1.87 1.99 116.25 115.82 1pvj h VAL 193 Ca -0.03 -1.13 -0.16 0.00 -1.23 0.00 0.00 66.70 64.15 1pvj h VAL 193 Cb 1.18 1.65 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1pvj h VAL 193 CO 0.12 0.30 -0.43 0.00 -1.23 0.00 0.00 177.57 176.32 1pvj h ALA 194 N 1.69 0.49 -0.06 5.19 0.00 -1.79 0.13 119.26 124.90 1pvj h ALA 194 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pvj h ALA 194 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pvj h ALA 194 CO 0.04 0.62 -0.05 1.15 0.00 0.00 0.00 179.25 181.01 1pvj h THR 195 N 0.65 1.36 -0.98 0.00 2.02 -0.87 0.57 112.91 115.66 1pvj h THR 195 Ca 0.04 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1pvj h THR 195 Cb 1.03 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.39 1pvj h THR 195 CO 0.10 0.32 0.62 0.00 0.37 0.00 0.00 175.52 176.93 1pvj h ALA 196 N 0.57 1.25 -0.18 6.16 0.00 0.31 -2.04 119.26 125.34 1pvj h ALA 196 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1pvj h ALA 196 Cb 0.54 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pvj h ALA 196 CO 0.01 0.67 -0.03 1.15 0.00 0.00 0.00 179.25 181.06 1pvj h THR 197 N 1.34 1.27 -1.00 0.00 2.02 -0.56 -3.02 112.91 112.95 1pvj h THR 197 Ca 0.35 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1pvj h THR 197 Cb -0.10 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 1pvj h THR 197 CO -0.07 0.28 0.66 0.00 0.37 0.00 0.00 175.52 176.76 1pvj h ALA 198 N 0.74 1.32 -0.62 6.16 0.00 -0.63 -1.09 119.26 125.14 1pvj h ALA 198 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pvj h ALA 198 Cb 0.44 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1pvj h ALA 198 CO 0.01 0.58 0.28 1.96 0.00 0.00 0.00 179.25 182.09 1pvj h GLN 199 N 1.30 0.90 -0.55 0.00 4.20 -1.36 -0.10 115.11 119.49 1pvj h GLN 199 Ca 0.39 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1pvj h GLN 199 Cb -0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1pvj h GLN 199 CO -0.11 0.73 0.12 0.82 -0.67 0.00 0.00 178.83 179.72 1pvj h ILE 200 N 0.85 1.23 -0.44 2.54 2.04 -1.31 -0.92 117.51 121.50 1pvj h ILE 200 Ca 0.21 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 1pvj h ILE 200 Cb 0.14 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1pvj h ILE 200 CO -0.02 0.32 -0.16 0.24 0.00 0.00 0.00 178.15 178.53 1pvj h MET 201 N 0.82 0.82 -0.14 2.37 2.86 -0.41 -2.57 114.93 118.69 1pvj h MET 201 Ca 0.18 -0.30 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1pvj h MET 201 Cb 0.32 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1pvj h MET 201 CO 0.00 0.92 -0.52 -0.22 1.06 0.00 0.00 176.91 178.15 1pvj h LYS 202 N 0.73 0.40 -0.24 1.72 1.63 -0.71 0.40 116.57 120.49 1pvj h LYS 202 Ca 0.11 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1pvj h LYS 202 Cb 0.66 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1pvj h LYS 202 CO 0.05 0.83 0.14 -0.92 -3.45 0.00 0.00 179.45 176.10 1pvj h TYR 203 N 0.31 0.31 -0.01 1.91 3.20 -0.84 -2.06 116.97 119.79 1pvj h TYR 203 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pvj h TYR 203 Cb 1.03 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1pvj h TYR 203 CO 0.03 0.21 -0.63 0.72 -1.64 0.00 0.00 178.16 176.85 1pvj n HIS 204 N -4.48 0.00 -4.08 -3.82 8.25 -0.83 -4.97 115.22 105.28 1pvj n HIS 204 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1pvj n HIS 204 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.57 -1.07 -3.98 0.41 3.02 0.13 -4.95 115.26 108.26 1pvj n ASN 205 Ca 0.07 -1.04 -0.09 0.00 -0.03 0.00 0.00 54.58 53.49 1pvj n ASN 205 Cb 0.39 -2.78 -0.10 0.00 -0.61 0.00 0.00 39.78 36.67 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 -3.81 0.27 0.54 3.10 5.04 -1.09 -4.71 117.35 116.70 1pvj s TYR 206 Ca 0.23 -0.57 -0.09 0.00 -2.44 0.00 0.00 57.07 54.19 1pvj s TYR 206 Cb -0.13 -0.20 0.12 0.00 0.35 0.00 0.00 41.96 42.11 1pvj s TYR 206 CO 0.91 -0.27 0.74 -0.35 -1.34 0.00 0.00 175.55 175.25 1pvj n PRO 207 N 1.17 -0.71 -0.09 4.97 -0.04 -1.26 -4.81 135.00 134.23 1pvj n PRO 207 Ca -0.21 -1.15 -0.12 0.00 -0.04 0.00 0.00 63.50 61.97 1pvj n PRO 207 Cb 0.57 -0.76 -0.09 0.00 -0.04 0.00 0.00 33.50 33.18 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 -3.47 2.36 -4.32 3.54 5.03 -1.26 -4.64 115.26 112.50 1pvj n ASN 208 Ca 0.09 -0.09 -0.33 0.00 0.87 0.00 0.00 54.58 55.13 1pvj n ASN 208 Cb 0.32 -0.15 -0.15 0.00 -1.02 0.00 0.00 39.78 38.78 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 -2.38 3.21 0.47 3.52 1.02 -1.26 0.47 119.74 124.80 1pvj s LYS 209 Ca -0.23 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 1pvj s LYS 209 Cb 0.06 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.81 1pvj s LYS 209 CO 0.46 0.22 1.13 0.20 -0.92 0.00 0.00 175.35 176.44 1pvj s GLY 210 N 0.29 2.71 -0.17 -3.33 0.00 -1.02 -4.85 107.32 100.96 1pvj s GLY 210 Ca -0.13 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.29 1pvj s GLY 210 CO 0.07 1.25 0.04 -2.00 0.00 0.00 0.00 173.10 172.45 1pvj h LEU 211 N 1.86 0.00 -7.66 0.66 6.46 -0.95 -3.39 115.31 112.29 1pvj h LEU 211 Ca -0.49 -0.25 -0.26 0.00 -0.12 0.00 0.00 57.88 56.75 1pvj h LEU 211 Cb 1.24 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 40.87 1pvj h LEU 211 CO 0.60 1.06 -0.73 -0.75 -0.62 0.00 0.00 178.44 178.00 1pvj s LYS 212 N -2.25 0.01 0.95 1.25 2.20 -0.95 -4.57 119.74 116.38 1pvj s LYS 212 Ca -0.20 0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.36 1pvj s LYS 212 Cb 0.03 -0.11 0.16 0.00 -1.51 0.00 0.00 37.83 36.40 1pvj s LYS 212 CO 0.38 -0.06 1.11 -0.51 -0.36 0.00 0.00 175.35 175.91 1pvj s ASP 213 N 0.38 2.74 0.03 1.43 1.01 -1.26 -4.19 116.67 116.80 1pvj s ASP 213 Ca -0.03 1.93 -0.03 0.00 0.71 0.00 0.00 52.55 55.12 1pvj s ASP 213 Cb -0.05 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1pvj s ASP 213 CO -0.01 -3.17 0.05 -0.47 0.21 0.00 0.00 175.17 171.77 1pvj s TYR 214 N -2.67 0.23 0.01 4.23 5.04 -1.13 -4.94 117.35 118.13 1pvj s TYR 214 Ca 0.66 -0.52 -0.21 0.00 -2.44 0.00 0.00 57.07 54.56 1pvj s TYR 214 Cb -0.22 -0.17 0.05 0.00 0.35 0.00 0.00 41.96 41.96 1pvj s TYR 214 CO 0.59 -0.30 0.48 -0.08 -1.34 0.00 0.00 175.55 174.90 1pvj s THR 215 N -2.18 0.04 0.16 4.34 -1.32 -1.26 -2.12 115.64 113.29 1pvj s THR 215 Ca -0.09 -0.30 -0.24 0.00 -1.21 0.00 0.00 61.69 59.85 1pvj s THR 215 Cb -0.04 -0.90 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 1pvj s THR 215 CO -0.03 -0.17 0.68 -0.72 -2.21 0.00 0.00 174.62 172.18 1pvj s TYR 216 N -1.95 -0.42 -0.21 9.09 -0.85 -1.06 -5.01 117.35 116.95 1pvj s TYR 216 Ca -0.08 0.17 -0.06 0.00 -0.52 0.00 0.00 57.07 56.57 1pvj s TYR 216 Cb -0.02 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 1pvj s TYR 216 CO 0.02 -0.88 0.04 0.99 -1.52 0.00 0.00 175.55 174.20 1pvj s THR 217 N -3.67 4.35 0.33 -3.49 2.01 -1.26 -1.63 115.64 112.29 1pvj s THR 217 Ca 0.04 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 1pvj s THR 217 Cb -0.02 -2.98 -0.12 0.00 0.01 0.00 0.00 72.50 69.39 1pvj s THR 217 CO -0.08 0.41 1.37 -0.11 -0.69 0.00 0.00 174.62 175.53 1pvj n LEU 218 N 4.15 3.82 -4.58 4.42 7.94 0.72 -4.84 117.00 128.63 1pvj n LEU 218 Ca -0.17 1.20 -0.50 0.00 -1.11 0.00 0.00 56.01 55.43 1pvj n LEU 218 Cb 0.52 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 1pvj n LEU 218 CO 0.33 -0.30 0.79 -0.24 -1.11 0.00 0.00 177.39 176.86 1pvj n SER 219 N 0.98 1.47 0.11 1.96 2.88 -1.26 -4.67 113.62 115.08 1pvj n SER 219 Ca 0.05 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.83 1pvj n SER 219 Cb 0.36 -1.21 0.46 0.00 -0.75 0.00 0.00 64.21 63.07 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 2.21 0.53 -0.89 -3.46 3.41 -1.26 -2.11 113.62 112.06 1pvj n SER 220 Ca 0.16 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 1pvj n SER 220 Cb 0.23 -0.75 0.25 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.09 2.59 -4.67 4.04 0.23 -1.26 -4.88 115.26 109.22 1pvj n ASN 221 Ca 0.02 -1.95 -0.42 0.00 -0.53 0.00 0.00 54.58 51.70 1pvj n ASN 221 Cb 0.21 -0.29 -0.03 0.00 -2.08 0.00 0.00 39.78 37.60 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 -1.15 6.73 0.00 0.53 3.84 -0.90 -4.93 114.94 119.06 1pvj s ASN 222 Ca 0.34 2.18 0.28 0.00 0.21 0.00 0.00 52.86 55.86 1pvj s ASN 222 Cb 0.18 -2.54 0.99 0.00 -0.55 0.00 0.00 41.25 39.32 1pvj s ASN 222 CO 0.24 -0.86 1.73 -0.81 -2.79 0.00 0.00 177.10 174.61 1pvj n PRO 223 N 6.57 0.28 0.00 0.43 -0.04 -1.26 -3.97 135.00 137.00 1pvj n PRO 223 Ca 0.16 -0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1pvj n PRO 223 Cb 0.43 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.27 0.00 -4.16 0.54 4.02 -1.26 -4.36 117.16 110.67 1pvj n TYR 224 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.87 1pvj n TYR 224 Cb 0.32 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.48 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 -2.24 0.88 0.39 -0.72 0.40 -1.25 -0.92 117.98 114.52 1pvj s PHE 225 Ca 0.31 -0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 55.61 1pvj s PHE 225 Cb 0.20 -0.51 -0.10 0.00 0.51 0.00 0.00 43.02 43.12 1pvj s PHE 225 CO 0.42 -0.12 0.90 -0.80 0.70 0.00 0.00 175.22 176.33 1pvj s ASN 226 N -2.78 6.96 0.12 1.36 0.01 -1.26 -4.94 114.94 114.41 1pvj s ASN 226 Ca 0.08 1.62 0.08 0.00 -0.71 0.00 0.00 52.86 53.94 1pvj s ASN 226 Cb 0.02 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1pvj s ASN 226 CO -0.03 -0.29 -0.15 -1.00 -1.51 0.00 0.00 177.10 174.12 1pvj s HIS 227 N -2.06 2.61 0.71 2.20 3.76 -1.26 -4.16 115.29 117.09 1pvj s HIS 227 Ca 0.59 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 1pvj s HIS 227 Cb -0.11 -1.36 0.02 0.00 1.11 0.00 0.00 32.58 32.24 1pvj s HIS 227 CO 0.15 0.42 1.07 -1.25 -0.85 0.00 0.00 174.74 174.28 1pvj s PRO 228 N -2.27 2.80 -0.08 8.40 0.04 -1.26 -5.17 135.00 137.46 1pvj s PRO 228 Ca 0.20 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 1pvj s PRO 228 Cb -0.10 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1pvj s PRO 228 CO 0.12 -1.19 0.03 0.21 0.04 0.00 0.00 177.00 176.22 1pvj s LYS 229 N -5.05 0.30 -0.15 4.56 2.47 -1.26 -5.06 119.74 115.55 1pvj s LYS 229 Ca 0.58 0.14 -0.01 0.00 -1.56 0.00 0.00 55.97 55.12 1pvj s LYS 229 Cb -0.14 -0.99 -0.01 0.00 -1.46 0.00 0.00 37.83 35.23 1pvj s LYS 229 CO 0.55 -0.38 -0.10 -0.80 0.16 0.00 0.00 175.35 174.78 1pvj s ASN 230 N 2.05 4.19 -0.08 1.43 0.01 -1.26 -0.20 114.94 121.08 1pvj s ASN 230 Ca 0.04 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1pvj s ASN 230 Cb -0.13 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 1pvj s ASN 230 CO -0.05 0.12 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.89 1pvj s LEU 231 N 0.60 3.49 -0.03 0.60 1.02 -0.64 -4.98 118.68 118.74 1pvj s LEU 231 Ca -0.06 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.22 1pvj s LEU 231 Cb -0.15 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.27 1pvj s LEU 231 CO 0.03 0.37 -0.09 0.12 0.02 0.00 0.00 176.35 176.80 1pvj s PHE 232 N -0.87 0.95 -0.18 0.29 5.36 -1.26 -2.55 117.98 119.71 1pvj s PHE 232 Ca 0.13 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.88 1pvj s PHE 232 Cb -0.11 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.91 1pvj s PHE 232 CO 0.02 -0.10 -0.20 0.00 -1.46 0.00 0.00 175.22 173.49 1pvj s ALA 233 N 0.18 2.34 -0.53 11.12 0.00 -0.90 -5.02 121.76 128.95 1pvj s ALA 233 Ca -0.03 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1pvj s ALA 233 Cb -0.08 -1.19 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 1pvj s ALA 233 CO 0.00 -0.35 3.06 0.00 0.00 0.00 0.00 175.76 178.47 1pvj n ALA 234 N 4.62 6.60 -0.29 0.00 0.00 -1.26 -2.83 120.51 127.36 1pvj n ALA 234 Ca -0.21 -2.79 0.10 0.00 0.00 0.00 0.00 53.44 50.54 1pvj n ALA 234 Cb 0.50 -2.43 0.23 0.00 0.00 0.00 0.00 19.45 17.76 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 2.19 0.27 -0.09 0.00 2.04 -1.93 -1.05 117.51 118.94 1pvj h ILE 235 Ca 0.41 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1pvj h ILE 235 Cb 0.91 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1pvj h ILE 235 CO 0.82 0.02 0.40 0.77 0.00 0.00 0.00 178.15 180.16 1pvj h SER 236 N 0.13 0.00 -0.56 1.72 4.64 -1.75 0.25 113.55 117.98 1pvj h SER 236 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1pvj h SER 236 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1pvj h SER 236 CO -0.71 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.60 1pvj n THR 237 N -3.04 1.04 -3.01 2.95 -2.24 -0.40 -4.66 114.28 104.93 1pvj n THR 237 Ca 0.00 -1.02 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 1pvj n THR 237 Cb 0.47 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.05 4.25 -0.54 -0.78 1.81 0.87 -4.96 118.95 118.54 1pvj s ARG 238 Ca 0.38 0.94 0.06 0.00 -1.72 0.00 0.00 55.73 55.38 1pvj s ARG 238 Cb 0.20 -2.65 0.21 0.00 -0.45 0.00 0.00 34.95 32.26 1pvj s ARG 238 CO 0.25 0.25 0.54 1.04 -0.68 0.00 0.00 175.30 176.70 1pvj n GLN 239 N 0.21 1.38 -1.55 3.54 1.13 -1.25 -2.42 117.38 118.43 1pvj n GLN 239 Ca 0.01 -3.93 -0.48 0.00 -1.94 0.00 0.00 57.00 50.66 1pvj n GLN 239 Cb 0.52 -1.87 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 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 1.70 1.88 -2.99 1.08 0.53 0.18 -4.91 117.16 114.63 1pvj n TYR 240 Ca 0.25 0.09 -0.44 0.00 -1.02 0.00 0.00 57.90 56.78 1pvj n TYR 240 Cb 0.44 -2.62 -0.03 0.00 -1.03 0.00 0.00 39.34 36.10 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 6.87 6.41 0.00 7.72 3.84 -1.26 -4.64 114.94 133.88 1pvj s ASN 241 Ca 1.03 -1.69 0.00 0.00 0.21 0.00 0.00 52.86 52.41 1pvj s ASN 241 Cb -0.66 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 37.67 1pvj s ASN 241 CO 0.46 -1.13 0.40 0.79 -2.79 0.00 0.00 177.10 174.83 1pvj n TRP 242 N 6.55 0.00 -0.00 0.43 7.02 -1.26 -0.85 117.44 129.33 1pvj n TRP 242 Ca 0.08 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.64 1pvj n TRP 242 Cb 0.46 -0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.21 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 -0.47 0.16 -0.01 -0.99 5.03 -1.26 -4.16 115.26 113.56 1pvj n ASN 243 Ca 0.00 0.06 -0.02 0.00 0.87 0.00 0.00 54.58 55.49 1pvj n ASN 243 Cb 0.00 1.59 -0.12 0.00 -1.02 0.00 0.00 39.78 40.24 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 -2.40 0.55 -4.50 6.41 3.02 -0.03 -4.59 115.26 113.72 1pvj n ASN 244 Ca -0.07 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 1pvj n ASN 244 Cb 0.64 0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 40.35 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 -2.84 4.61 1.10 2.41 1.01 -1.08 -4.46 121.20 121.95 1pvj s ILE 245 Ca -0.06 -2.04 -0.13 0.00 0.00 0.00 0.00 60.65 58.43 1pvj s ILE 245 Cb 0.09 -4.98 0.23 0.00 0.01 0.00 0.00 42.46 37.81 1pvj s ILE 245 CO 0.83 -1.74 0.93 0.18 0.00 0.00 0.00 174.94 175.14 1pvj n LEU 246 N 6.91 -0.33 0.10 2.97 4.77 -1.26 -4.90 117.00 125.26 1pvj n LEU 246 Ca 0.37 -0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1pvj n LEU 246 Cb 0.46 -1.28 0.44 0.00 -2.33 0.00 0.00 43.42 40.70 1pvj n LEU 246 CO 0.64 -3.02 0.89 -0.81 -1.33 0.00 0.00 177.39 173.76 1pvj n PRO 247 N -4.41 0.23 -3.55 3.23 -0.04 -1.26 -4.86 135.00 124.34 1pvj n PRO 247 Ca 0.05 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1pvj n PRO 247 Cb 0.54 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 1pvj n PRO 247 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pvj s THR 248 N -3.11 0.00 0.04 0.52 -1.32 -1.26 -0.98 115.64 109.52 1pvj s THR 248 Ca 0.10 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.67 1pvj s THR 248 Cb 0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1pvj s THR 248 CO 0.56 0.00 -0.25 -0.31 -2.21 0.00 0.00 174.62 172.42 1pvj s TYR 249 N -1.54 2.17 -0.69 9.09 1.51 -1.26 -5.00 117.35 121.63 1pvj s TYR 249 Ca -0.02 -0.40 0.15 0.00 -1.01 0.00 0.00 57.07 55.78 1pvj s TYR 249 Cb -0.00 -1.31 -0.16 0.00 -0.11 0.00 0.00 41.96 40.38 1pvj s TYR 249 CO 0.01 0.10 0.63 -1.13 -1.11 0.00 0.00 175.55 174.05 1pvj n SER 250 N 1.85 0.71 0.00 2.29 3.41 -1.26 -4.98 113.62 115.65 1pvj n SER 250 Ca -0.17 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1pvj n SER 250 Cb 0.52 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 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 1.36 0.73 0.87 5.00 0.00 -1.26 -4.92 105.19 106.96 1pvj n GLY 251 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.11 2.00 -0.67 1.61 1.74 -1.26 -5.01 116.66 112.97 1pvj n ARG 252 Ca 0.00 -1.89 -0.31 0.00 -0.77 0.00 0.00 57.85 54.88 1pvj n ARG 252 Cb 0.00 -1.40 0.17 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 1.14 -1.00 0.00 5.56 4.71 -1.26 -5.02 120.64 124.77 1pvj n GLU 253 Ca 0.14 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1pvj n GLU 253 Cb 0.51 -2.07 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 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 -3.11 -0.03 0.09 1.62 3.41 -1.26 -4.86 113.62 109.47 1pvj n SER 254 Ca 0.07 -0.37 -0.17 0.00 -0.26 0.00 0.00 58.87 58.14 1pvj n SER 254 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.61 -0.33 4.04 4.21 -1.99 -3.15 115.58 118.94 1pvj h ASN 255 Ca 0.00 -0.55 0.01 0.00 1.21 0.00 0.00 56.30 56.96 1pvj h ASN 255 Cb 0.00 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 1pvj h ASN 255 CO 0.00 1.38 0.21 0.58 -1.29 0.00 0.00 177.43 178.31 1pvj h VAL 256 N 0.20 1.07 -0.26 2.81 2.07 -1.98 -0.11 116.25 120.05 1pvj h VAL 256 Ca -0.13 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1pvj h VAL 256 Cb 1.79 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1pvj h VAL 256 CO 0.20 0.08 -0.27 1.56 0.02 0.00 0.00 177.57 179.16 1pvj h GLN 257 N 0.44 0.65 -0.22 1.57 7.50 -1.78 -2.63 115.11 120.63 1pvj h GLN 257 Ca 0.12 -0.35 -0.05 0.00 0.50 0.00 0.00 58.65 58.88 1pvj h GLN 257 Cb -0.04 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 1pvj h GLN 257 CO -0.03 0.95 -0.05 0.87 -1.50 0.00 0.00 178.83 179.07 1pvj h LYS 258 N 0.37 0.42 -0.44 1.46 1.57 -1.49 -2.77 116.57 115.70 1pvj h LYS 258 Ca 0.04 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1pvj h LYS 258 Cb 0.83 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.05 1pvj h LYS 258 CO 0.07 0.66 -0.03 1.98 -0.57 0.00 0.00 179.45 181.56 1pvj h MET 259 N 0.15 0.08 0.01 3.15 1.85 -1.07 0.06 114.93 119.16 1pvj h MET 259 Ca 0.06 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1pvj h MET 259 Cb 0.50 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 1pvj h MET 259 CO 0.02 0.05 -0.30 0.00 -0.40 0.00 0.00 176.91 176.28 1pvj h ALA 260 N 1.40 -0.76 0.47 0.39 0.00 -1.28 -1.68 119.26 117.79 1pvj h ALA 260 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pvj h ALA 260 Cb 0.32 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pvj h ALA 260 CO -0.39 -0.85 -0.22 0.97 0.00 0.00 0.00 179.25 178.76 1pvj h ILE 261 N -0.39 0.54 -0.93 0.00 6.09 -1.30 -1.91 117.51 119.62 1pvj h ILE 261 Ca 0.00 -0.04 0.25 0.00 -1.37 0.00 0.00 64.86 63.70 1pvj h ILE 261 Cb 0.41 0.56 -0.05 0.00 0.47 0.00 0.00 36.82 38.21 1pvj h ILE 261 CO -0.19 0.01 0.64 0.77 -3.07 0.00 0.00 178.15 176.30 1pvj h SER 262 N -0.65 0.18 0.13 2.19 4.64 -0.95 0.30 113.55 119.40 1pvj h SER 262 Ca -0.06 0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 1pvj h SER 262 Cb 0.49 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1pvj h SER 262 CO 0.11 0.06 -1.07 -0.08 -0.87 0.00 0.00 176.83 174.98 1pvj h GLU 263 N 0.17 0.60 0.56 4.77 4.81 -1.08 -0.96 114.58 123.46 1pvj h GLU 263 Ca 0.46 -0.69 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1pvj h GLU 263 Cb 1.54 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 1pvj h GLU 263 CO -0.09 1.28 -0.31 1.25 -0.73 0.00 0.00 179.01 180.41 1pvj h LEU 264 N 0.32 -0.77 -1.43 1.64 5.85 0.34 -1.70 115.31 119.56 1pvj h LEU 264 Ca -0.13 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.80 1pvj h LEU 264 Cb 1.72 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.91 1pvj h LEU 264 CO 0.20 -0.51 0.57 0.24 -0.34 0.00 0.00 178.44 178.60 1pvj h MET 265 N -0.81 0.50 -0.15 1.25 2.86 -1.17 -1.70 114.93 115.71 1pvj h MET 265 Ca -0.07 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 1pvj h MET 265 Cb 0.65 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1pvj h MET 265 CO 0.09 0.33 -0.62 0.00 1.06 0.00 0.00 176.91 177.77 1pvj h ALA 266 N 1.62 0.64 -0.24 6.32 0.00 -0.44 -2.31 119.26 124.85 1pvj h ALA 266 Ca 0.44 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1pvj h ALA 266 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pvj h ALA 266 CO -0.18 0.71 -0.51 -0.44 0.00 0.00 0.00 179.25 178.83 1pvj h ASP 267 N 0.39 0.87 0.04 0.00 3.32 -0.48 -2.84 116.42 117.71 1pvj h ASP 267 Ca -0.01 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1pvj h ASP 267 Cb 1.18 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1pvj h ASP 267 CO 0.11 1.25 -0.02 0.58 -1.72 0.00 0.00 179.24 179.45 1pvj h VAL 268 N 0.51 1.13 -0.82 -1.35 2.07 -1.39 0.58 116.25 116.98 1pvj h VAL 268 Ca 0.01 -0.55 0.16 0.00 0.82 0.00 0.00 66.70 67.14 1pvj h VAL 268 Cb 1.11 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 1pvj h VAL 268 CO 0.11 0.14 0.54 1.23 0.02 0.00 0.00 177.57 179.61 1pvj h GLY 269 N -0.30 0.87 0.56 2.17 0.00 -1.49 -1.83 103.07 103.05 1pvj h GLY 269 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1pvj h GLY 269 CO 0.01 0.05 -0.55 -2.22 0.00 0.00 0.00 176.54 173.84 1pvj h ILE 270 N 0.48 1.54 -0.16 2.60 2.04 -1.23 -1.64 117.51 121.14 1pvj h ILE 270 Ca 0.41 -2.31 0.05 0.00 1.00 0.00 0.00 64.86 64.01 1pvj h ILE 270 Cb 0.89 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.99 1pvj h ILE 270 CO -0.15 0.64 0.59 0.77 0.00 0.00 0.00 178.15 180.00 1pvj h SER 271 N -0.43 0.00 -0.29 1.72 4.64 -0.07 0.47 113.55 119.59 1pvj h SER 271 Ca -0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1pvj h SER 271 Cb 1.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.38 1pvj h SER 271 CO 0.10 0.00 -0.07 1.33 -0.87 0.00 0.00 176.83 177.32 1pvj n VAL 272 N -2.97 2.43 -4.10 0.95 0.24 -0.89 -4.72 118.33 109.27 1pvj n VAL 272 Ca 0.02 -2.54 -0.33 0.00 -2.04 0.00 0.00 64.34 59.45 1pvj n VAL 272 Cb 0.67 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.01 -3.42 -4.67 -1.34 10.43 0.17 -4.51 116.55 112.19 1pvj n ASP 273 Ca 0.29 -0.94 -0.49 0.00 2.57 0.00 0.00 54.79 56.22 1pvj n ASP 273 Cb 0.96 -3.14 -0.05 0.00 1.84 0.00 0.00 41.12 40.73 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 -4.48 1.95 -2.92 -1.24 1.56 -0.62 -4.84 117.12 106.53 1pvj n MET 274 Ca 0.02 0.71 -0.43 0.00 -0.27 0.00 0.00 57.70 57.73 1pvj n MET 274 Cb 0.52 -2.50 -0.05 0.00 2.15 0.00 0.00 33.22 33.35 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 2.84 6.27 0.24 6.12 2.15 0.24 -4.94 116.67 129.59 1pvj s ASP 275 Ca 0.89 -0.64 -0.28 0.00 0.43 0.00 0.00 52.55 52.95 1pvj s ASP 275 Cb -0.76 -2.40 -0.09 0.00 -0.30 0.00 0.00 42.92 39.37 1pvj s ASP 275 CO 0.49 -1.19 0.91 -0.31 -0.17 0.00 0.00 175.17 174.90 1pvj s TYR 276 N 3.65 3.91 0.00 -5.34 1.51 -1.26 -1.59 117.35 118.23 1pvj s TYR 276 Ca 0.25 1.83 0.00 0.00 -1.01 0.00 0.00 57.07 58.14 1pvj s TYR 276 Cb -0.15 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1pvj s TYR 276 CO 0.15 0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 1pvj n GLY 277 N 1.31 0.89 0.38 0.71 0.00 -1.26 -4.81 105.19 102.40 1pvj n GLY 277 Ca -0.02 -0.86 0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.24 1.61 0.11 -1.95 -1.71 132.00 125.82 1pvj h PRO 278 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 1pvj h PRO 278 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 1pvj h PRO 278 CO 0.00 0.00 -0.69 -1.54 -0.21 0.00 0.00 178.00 175.56 1pvj s SER 279 N -4.55 0.53 -0.05 -2.05 1.04 -1.26 -4.34 113.70 103.02 1pvj s SER 279 Ca -0.03 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1pvj s SER 279 Cb 0.11 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1pvj s SER 279 CO 0.38 -0.45 -0.08 -0.44 0.98 0.00 0.00 173.24 173.63 1pvj s SER 280 N -2.36 1.27 0.22 7.02 0.01 -1.26 -4.70 113.70 113.90 1pvj s SER 280 Ca -0.01 -0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.15 1pvj s SER 280 Cb 0.00 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 1pvj s SER 280 CO -0.06 0.00 -0.20 -0.83 0.41 0.00 0.00 173.24 172.57 1pvj s GLY 281 N 0.66 1.65 0.06 3.44 0.00 -0.62 -3.99 107.32 108.52 1pvj s GLY 281 Ca -0.11 -1.68 -0.06 0.00 0.00 0.00 0.00 44.72 42.86 1pvj s GLY 281 CO 0.02 -1.75 0.12 -0.45 0.00 0.00 0.00 173.10 171.04 1pvj s SER 282 N -3.03 0.20 0.45 1.64 0.15 -1.26 -0.59 113.70 111.25 1pvj s SER 282 Ca 0.23 -0.66 0.16 0.00 0.70 0.00 0.00 55.95 56.38 1pvj s SER 282 Cb -0.05 0.28 1.10 0.00 -1.71 0.00 0.00 66.02 65.63 1pvj s SER 282 CO 0.10 -0.63 1.97 0.00 1.20 0.00 0.00 173.24 175.88 1pvj h ALA 283 N 3.14 2.12 0.00 5.45 0.00 -1.89 0.41 119.26 128.49 1pvj h ALA 283 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1pvj h ALA 283 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pvj h ALA 283 CO 0.56 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1pvj n GLY 284 N -1.54 0.79 0.10 0.00 0.00 -1.26 -3.78 105.19 99.50 1pvj n GLY 284 Ca 0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 3.47 -0.20 0.23 1.61 7.64 -1.26 -0.27 113.62 124.83 1pvj n SER 285 Ca 0.00 0.45 0.07 0.00 1.01 0.00 0.00 58.87 60.40 1pvj n SER 285 Cb 0.00 -0.09 0.53 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.33 6.43 4.64 -1.97 -0.28 113.55 122.70 1pvj h SER 286 Ca 0.07 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.07 1pvj h SER 286 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1pvj h SER 286 CO -0.25 0.22 -1.73 0.03 -0.87 0.00 0.00 176.83 174.24 1pvj h ARG 287 N 0.00 0.24 -0.73 4.77 2.47 -0.97 -3.28 114.38 116.87 1pvj h ARG 287 Ca -0.00 -0.40 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 1pvj h ARG 287 Cb 0.46 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.89 1pvj h ARG 287 CO 0.03 1.07 0.40 0.28 0.56 0.00 0.00 179.97 182.32 1pvj h VAL 288 N 0.06 1.22 -0.17 2.04 2.07 -0.77 0.46 116.25 121.17 1pvj h VAL 288 Ca -0.32 -0.56 -0.22 0.00 0.82 0.00 0.00 66.70 66.43 1pvj h VAL 288 Cb 2.03 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1pvj h VAL 288 CO 0.13 0.25 -0.76 0.06 0.02 0.00 0.00 177.57 177.27 1pvj h GLN 289 N 1.01 0.81 -0.11 1.57 -0.00 -1.23 -2.34 115.11 114.82 1pvj h GLN 289 Ca 0.26 -0.65 -0.14 0.00 -0.00 0.00 0.00 58.65 58.12 1pvj h GLN 289 Cb 0.03 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1pvj h GLN 289 CO -0.04 1.26 -0.55 -0.09 -0.00 0.00 0.00 178.83 179.40 1pvj h ARG 290 N 0.56 0.34 -0.10 0.06 2.43 -1.55 -3.21 114.38 112.91 1pvj h ARG 290 Ca -0.05 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1pvj h ARG 290 Cb 1.39 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1pvj h ARG 290 CO 0.16 0.80 -0.07 0.00 -1.51 0.00 0.00 179.97 179.35 1pvj h ALA 291 N 1.15 0.14 -0.98 2.80 0.00 -0.07 -2.19 119.26 120.10 1pvj h ALA 291 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1pvj h ALA 291 Cb 1.05 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1pvj h ALA 291 CO 0.09 -0.06 0.62 -0.07 0.00 0.00 0.00 179.25 179.84 1pvj h LEU 292 N -0.18 0.91 0.00 0.00 3.38 -1.46 0.78 115.31 118.75 1pvj h LEU 292 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pvj h LEU 292 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pvj h LEU 292 CO 0.02 0.50 -0.05 0.11 0.09 0.00 0.00 178.44 179.11 1pvj h LYS 293 N 0.98 0.00 -0.18 1.13 1.57 -1.62 0.33 116.57 118.78 1pvj h LYS 293 Ca 0.48 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.08 1pvj h LYS 293 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1pvj h LYS 293 CO -0.24 0.00 -0.58 0.93 -0.57 0.00 0.00 179.45 178.99 1pvj h GLU 294 N -0.99 0.72 0.04 3.15 5.08 -1.41 -2.67 114.58 118.50 1pvj h GLU 294 Ca 0.00 -0.53 -0.24 0.00 -1.00 0.00 0.00 59.36 57.59 1pvj h GLU 294 Cb 0.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1pvj h GLU 294 CO 0.00 1.15 -1.30 -0.91 -1.00 0.00 0.00 179.01 176.95 1pvj h ASN 295 N 0.43 0.14 -0.51 1.42 4.21 -1.03 -3.32 115.58 116.92 1pvj h ASN 295 Ca -0.02 -0.68 0.00 0.00 1.21 0.00 0.00 56.30 56.80 1pvj h ASN 295 Cb 1.21 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 1pvj h ASN 295 CO 0.12 1.53 0.00 0.49 -1.29 0.00 0.00 177.43 178.29 1pvj n PHE 296 N -4.20 0.67 -1.56 1.19 3.01 -0.76 -0.44 117.46 115.37 1pvj n PHE 296 Ca -0.29 -0.34 -0.14 0.00 1.01 0.00 0.00 57.45 57.70 1pvj n PHE 296 Cb 0.76 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.18 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 1.44 1.15 3.64 1.37 0.00 -0.96 -4.17 105.19 107.66 1pvj n GLY 297 Ca 0.20 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.55 1.59 0.56 1.61 1.51 0.11 -4.95 117.35 115.24 1pvj s TYR 298 Ca 0.00 0.84 -0.21 0.00 -1.01 0.00 0.00 57.07 56.69 1pvj s TYR 298 Cb 0.00 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 1pvj s TYR 298 CO 0.00 -3.27 1.36 1.21 -1.11 0.00 0.00 175.55 173.73 1pvj s ASN 299 N -3.52 5.14 0.64 2.29 3.84 0.56 -4.58 114.94 119.30 1pvj s ASN 299 Ca 0.67 2.76 0.42 0.00 0.21 0.00 0.00 52.86 56.92 1pvj s ASN 299 Cb -0.17 -2.63 2.29 0.00 -0.55 0.00 0.00 41.25 40.19 1pvj s ASN 299 CO 0.58 -1.66 2.29 1.56 -2.79 0.00 0.00 177.10 177.08 1pvj h GLN 300 N 1.31 0.00 0.00 0.43 1.08 -1.92 -0.52 115.11 115.49 1pvj h GLN 300 Ca -0.51 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.68 1pvj h GLN 300 Cb 1.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1pvj h GLN 300 CO 0.57 0.00 -0.06 0.66 -0.95 0.00 0.00 178.83 179.05 1pvj h SER 301 N 0.00 0.00 -2.30 1.46 4.64 -1.91 -3.42 113.55 112.02 1pvj h SER 301 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1pvj h SER 301 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1pvj h SER 301 CO 0.00 0.06 1.29 -0.69 -0.87 0.00 0.00 176.83 176.61 1pvj s VAL 302 N -4.09 3.06 0.19 0.95 1.01 -0.21 -4.37 120.40 116.95 1pvj s VAL 302 Ca -0.03 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 1pvj s VAL 302 Cb 0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1pvj s VAL 302 CO 0.53 -0.01 0.49 -1.38 0.00 0.00 0.00 175.10 174.72 1pvj s HIS 303 N 5.37 -0.03 0.07 5.22 -3.43 -0.51 -4.96 115.29 117.01 1pvj s HIS 303 Ca 0.90 -0.32 -0.10 0.00 -0.80 0.00 0.00 55.06 54.74 1pvj s HIS 303 Cb -0.40 0.32 -0.06 0.00 -1.43 0.00 0.00 32.58 31.02 1pvj s HIS 303 CO 0.39 -0.89 0.39 -1.14 -2.00 0.00 0.00 174.74 171.49 1pvj s GLN 304 N -3.89 3.76 0.01 -0.38 0.74 -1.26 -1.48 119.66 117.15 1pvj s GLN 304 Ca 0.11 0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.72 1pvj s GLN 304 Cb -0.00 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 31.07 1pvj s GLN 304 CO -0.02 0.58 -0.09 0.96 -0.55 0.00 0.00 175.29 176.17 1pvj s ILE 305 N -1.36 0.69 -0.18 -2.34 -4.36 0.12 -4.97 121.20 108.80 1pvj s ILE 305 Ca 0.32 -0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 1pvj s ILE 305 Cb -0.14 -0.62 -0.02 0.00 1.25 0.00 0.00 42.46 42.93 1pvj s ILE 305 CO 0.17 0.06 -0.04 0.20 0.24 0.00 0.00 174.94 175.58 1pvj s ASN 306 N -0.55 4.62 0.33 4.36 0.01 -1.26 -1.30 114.94 121.14 1pvj s ASN 306 Ca 0.01 -0.23 0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1pvj s ASN 306 Cb -0.05 -1.77 1.03 0.00 0.41 0.00 0.00 41.25 40.87 1pvj s ASN 306 CO 0.00 0.10 1.60 -0.09 -1.51 0.00 0.00 177.10 177.20 1pvj h ARG 307 N 7.23 0.08 0.00 -0.60 9.65 -1.69 0.58 114.38 129.63 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 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1pvj h ARG 307 CO 0.61 0.05 0.00 0.41 2.80 0.00 0.00 179.97 183.84 1pvj n GLY 308 N -1.36 -0.64 0.84 2.80 0.00 -1.26 -1.94 105.19 103.63 1pvj n GLY 308 Ca 0.30 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.30 2.61 -4.33 1.61 8.00 0.20 -4.97 116.55 118.37 1pvj n ASP 309 Ca 0.05 -1.86 -0.17 0.00 0.71 0.00 0.00 54.79 53.51 1pvj n ASP 309 Cb 0.08 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.96 1.59 0.21 1.24 0.40 -0.82 -5.05 117.98 113.60 1pvj s PHE 310 Ca 0.31 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 1pvj s PHE 310 Cb 0.20 -0.89 -0.08 0.00 0.51 0.00 0.00 43.02 42.77 1pvj s PHE 310 CO 0.31 0.07 0.68 -1.54 0.70 0.00 0.00 175.22 175.44 1pvj s SER 311 N -3.31 6.96 0.31 1.36 1.04 -1.26 -4.82 113.70 113.99 1pvj s SER 311 Ca 0.26 1.31 0.07 0.00 0.48 0.00 0.00 55.95 58.06 1pvj s SER 311 Cb 0.04 -2.38 0.88 0.00 0.10 0.00 0.00 66.02 64.66 1pvj s SER 311 CO 0.08 0.03 1.61 0.50 0.98 0.00 0.00 173.24 176.44 1pvj h LYS 312 N 3.34 0.12 -0.21 4.02 3.64 -1.99 0.36 116.57 125.86 1pvj h LYS 312 Ca -0.48 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 58.71 1pvj h LYS 312 Cb 1.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1pvj h LYS 312 CO 0.65 0.08 -0.60 1.96 -2.27 0.00 0.00 179.45 179.28 1pvj h GLN 313 N 0.13 0.70 -0.01 1.90 7.50 -1.99 -1.95 115.11 121.38 1pvj h GLN 313 Ca 0.64 -0.47 -0.11 0.00 0.50 0.00 0.00 58.65 59.21 1pvj h GLN 313 Cb 1.41 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.99 1pvj h GLN 313 CO -0.75 1.09 -0.49 -0.44 -1.50 0.00 0.00 178.83 176.75 1pvj h ASP 314 N 0.53 0.04 -0.34 1.46 3.45 -0.92 -1.32 116.42 119.31 1pvj h ASP 314 Ca -0.00 -0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.29 1pvj h ASP 314 Cb 1.18 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1pvj h ASP 314 CO 0.12 0.52 -0.38 -0.25 -1.57 0.00 0.00 179.24 177.69 1pvj h TRP 315 N 0.03 1.03 -0.52 4.55 2.91 -0.30 -2.81 115.95 120.85 1pvj h TRP 315 Ca -0.00 -0.32 -0.12 0.00 1.13 0.00 0.00 58.89 59.58 1pvj h TRP 315 Cb 0.88 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 1pvj h TRP 315 CO 0.00 1.13 -0.15 0.93 -1.03 0.00 0.00 178.44 179.31 1pvj h GLU 316 N 0.65 1.02 -0.50 2.65 5.08 -1.27 -2.90 114.58 119.30 1pvj h GLU 316 Ca 0.05 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1pvj h GLU 316 Cb 0.97 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1pvj h GLU 316 CO 0.09 1.09 0.33 0.00 -1.00 0.00 0.00 179.01 179.52 1pvj h ALA 317 N 0.90 2.00 -0.23 3.43 0.00 -1.15 0.16 119.26 124.37 1pvj h ALA 317 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pvj h ALA 317 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pvj h ALA 317 CO 0.06 -0.10 -0.06 1.96 0.00 0.00 0.00 179.25 181.11 1pvj h GLN 318 N 0.36 0.45 -0.18 0.00 1.08 -1.29 -1.14 115.11 114.38 1pvj h GLN 318 Ca 0.22 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1pvj h GLN 318 Cb 0.41 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1pvj h GLN 318 CO -0.05 0.68 -0.18 0.82 -0.95 0.00 0.00 178.83 179.15 1pvj h ILE 319 N 0.18 1.33 -0.61 2.54 2.04 -1.23 -2.09 117.51 119.67 1pvj h ILE 319 Ca 0.06 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.65 1pvj h ILE 319 Cb 0.51 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 1pvj h ILE 319 CO 0.02 0.40 0.31 0.44 0.00 0.00 0.00 178.15 179.32 1pvj h ASP 320 N 0.10 0.43 -0.31 1.72 3.32 -0.73 -1.46 116.42 119.50 1pvj h ASP 320 Ca 0.03 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1pvj h ASP 320 Cb 0.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1pvj h ASP 320 CO 0.04 0.28 0.13 0.50 -1.72 0.00 0.00 179.24 178.47 1pvj h LYS 321 N 0.57 0.28 -0.15 3.56 3.64 -1.02 -0.46 116.57 122.98 1pvj h LYS 321 Ca 0.28 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1pvj h LYS 321 Cb 0.23 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1pvj h LYS 321 CO -0.21 0.18 -0.12 0.93 -2.27 0.00 0.00 179.45 177.97 1pvj h GLU 322 N 0.29 -0.12 -0.35 1.90 4.39 -0.63 -1.68 114.58 118.37 1pvj h GLU 322 Ca 0.13 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1pvj h GLU 322 Cb 0.07 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1pvj h GLU 322 CO -0.11 -0.08 0.11 -0.07 -1.16 0.00 0.00 179.01 177.70 1pvj h LEU 323 N -0.13 0.46 -2.66 1.33 3.38 -0.97 -0.34 115.31 116.39 1pvj h LEU 323 Ca 0.09 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1pvj h LEU 323 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pvj h LEU 323 CO -0.23 0.45 0.05 0.77 0.09 0.00 0.00 178.44 179.57 1pvj h SER 324 N 0.50 0.00 -0.54 -0.43 4.64 -0.12 0.54 113.55 118.14 1pvj h SER 324 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pvj h SER 324 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1pvj h SER 324 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1pvj n GLN 325 N -3.39 3.94 -3.70 4.77 6.02 -0.16 -4.94 117.38 119.92 1pvj n GLN 325 Ca -0.02 -2.92 -0.32 0.00 -0.01 0.00 0.00 57.00 53.73 1pvj n GLN 325 Cb 0.13 -1.97 0.04 0.00 1.02 0.00 0.00 30.24 29.46 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 0.66 -5.12 -3.57 1.08 3.02 0.18 -4.96 115.26 106.55 1pvj n ASN 326 Ca 0.25 -1.02 -0.29 0.00 -0.03 0.00 0.00 54.58 53.49 1pvj n ASN 326 Cb 0.96 -3.34 -0.14 0.00 -0.61 0.00 0.00 39.78 36.65 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 -6.03 0.52 1.00 3.52 -0.21 -1.09 -5.04 119.66 112.34 1pvj s GLN 327 Ca 0.46 -1.04 -0.14 0.00 0.02 0.00 0.00 55.36 54.66 1pvj s GLN 327 Cb -0.17 -1.49 0.09 0.00 1.00 0.00 0.00 33.01 32.45 1pvj s GLN 327 CO 0.86 -1.09 0.50 -2.30 -2.12 0.00 0.00 175.29 171.14 1pvj n PRO 328 N 4.61 -0.82 -4.90 2.91 -0.02 -1.26 -4.02 135.00 131.50 1pvj n PRO 328 Ca 0.02 -0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 60.98 1pvj n PRO 328 Cb 0.40 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.40 2.15 0.12 -1.45 1.01 -0.32 -4.77 120.40 114.74 1pvj s VAL 329 Ca 0.59 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1pvj s VAL 329 Cb -0.20 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1pvj s VAL 329 CO 0.65 0.55 1.16 -0.47 0.00 0.00 0.00 175.10 176.99 1pvj s TYR 330 N 0.59 3.50 0.01 5.22 5.04 -1.03 -1.96 117.35 128.71 1pvj s TYR 330 Ca -0.12 1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 1pvj s TYR 330 Cb -0.17 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 1pvj s TYR 330 CO 0.03 -0.99 0.06 -0.47 -1.34 0.00 0.00 175.55 172.85 1pvj s TYR 331 N 0.42 0.14 0.27 4.97 5.04 -0.57 -1.59 117.35 126.03 1pvj s TYR 331 Ca 0.54 -0.32 -0.16 0.00 -2.44 0.00 0.00 57.07 54.70 1pvj s TYR 331 Cb -0.30 -0.11 0.01 0.00 0.35 0.00 0.00 41.96 41.91 1pvj s TYR 331 CO 0.32 -0.25 0.59 1.14 -1.34 0.00 0.00 175.55 176.02 1pvj s GLN 332 N -1.44 1.70 -0.05 4.97 -2.07 -0.85 0.84 119.66 122.76 1pvj s GLN 332 Ca -0.15 -1.19 0.04 0.00 -1.82 0.00 0.00 55.36 52.24 1pvj s GLN 332 Cb -0.09 0.53 -0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1pvj s GLN 332 CO 0.00 -0.74 -0.19 0.20 -1.32 0.00 0.00 175.29 173.24 1pvj s GLY 333 N -2.99 1.01 0.02 2.60 0.00 -0.85 -2.84 107.32 104.27 1pvj s GLY 333 Ca 0.18 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 1pvj s GLY 333 CO 0.09 -0.34 0.57 0.14 0.00 0.00 0.00 173.10 173.56 1pvj s VAL 334 N 0.11 4.87 0.20 1.40 1.01 -0.75 -0.81 120.40 126.43 1pvj s VAL 334 Ca -0.07 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.16 1pvj s VAL 334 Cb -0.13 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1pvj s VAL 334 CO 0.03 0.47 0.19 0.61 0.00 0.00 0.00 175.10 176.40 1pvj n GLY 335 N 2.21 3.21 0.00 4.51 0.00 -1.02 -4.67 105.19 109.43 1pvj n GLY 335 Ca -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1pvj n GLY 335 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pvj n LYS 336 N -0.37 0.00 0.00 1.61 3.00 -1.26 -2.83 118.16 118.30 1pvj n LYS 336 Ca 0.04 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1pvj n LYS 336 Cb 0.36 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.98 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 -1.81 0.00 0.00 3.15 0.24 -1.26 -4.89 118.33 113.77 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 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.35 -0.22 3.65 7.63 0.00 -1.13 -4.37 105.19 110.39 1pvj n GLY 338 Ca 0.00 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 1.91 -1.35 -0.02 0.00 0.15 -2.43 107.32 105.58 1pvj s GLY 339 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 1pvj s GLY 339 CO 0.00 1.50 1.97 1.42 0.00 0.00 0.00 173.10 177.99 1pvj n HIS 340 N 5.50 3.48 -1.76 1.90 8.25 0.01 -4.71 115.22 127.89 1pvj n HIS 340 Ca 0.01 -2.91 -0.30 0.00 -0.26 0.00 0.00 57.72 54.26 1pvj n HIS 340 Cb 0.49 -2.26 0.08 0.00 1.12 0.00 0.00 29.99 29.42 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 1.88 2.51 0.04 -1.41 0.00 -1.26 -2.01 121.76 121.51 1pvj s ALA 341 Ca 0.44 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1pvj s ALA 341 Cb 0.10 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1pvj s ALA 341 CO -0.03 -1.60 0.30 1.97 0.00 0.00 0.00 175.76 176.41 1pvj n PHE 342 N -3.31 -0.70 -4.76 0.00 1.16 0.25 -4.82 117.46 105.29 1pvj n PHE 342 Ca 0.07 -0.33 -0.25 0.00 -1.87 0.00 0.00 57.45 55.07 1pvj n PHE 342 Cb 0.58 0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 38.45 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 -2.38 1.32 -0.29 1.97 1.01 -0.89 -1.52 120.40 119.63 1pvj s VAL 343 Ca 0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1pvj s VAL 343 Cb -0.01 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1pvj s VAL 343 CO 0.01 0.38 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1pvj s ILE 344 N 0.01 3.70 -0.07 2.22 1.01 -0.83 -0.57 121.20 126.67 1pvj s ILE 344 Ca -0.03 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.90 1pvj s ILE 344 Cb -0.10 -2.93 0.20 0.00 0.01 0.00 0.00 42.46 39.63 1pvj s ILE 344 CO 0.02 0.06 1.10 -0.90 0.00 0.00 0.00 174.94 175.22 1pvj n ASP 345 N 4.81 1.20 -3.52 3.58 5.75 -0.42 -1.18 116.55 126.77 1pvj n ASP 345 Ca -0.15 -2.62 0.01 0.00 -0.01 0.00 0.00 54.79 52.02 1pvj n ASP 345 Cb 0.47 -0.33 0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1pvj n ASP 345 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pvj n GLY 346 N -0.62 0.38 3.63 6.12 0.00 -1.25 0.57 105.19 114.02 1pvj n GLY 346 Ca 0.09 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1pvj n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvj s ALA 347 N -1.97 -1.88 -2.04 4.61 0.00 0.45 -1.07 121.76 119.86 1pvj s ALA 347 Ca 0.26 2.03 0.22 0.00 0.00 0.00 0.00 51.96 54.48 1pvj s ALA 347 Cb -0.01 -1.32 1.27 0.00 0.00 0.00 0.00 23.12 23.05 1pvj s ALA 347 CO 0.02 -0.31 1.82 -0.40 0.00 0.00 0.00 175.76 176.89 1pvj n ASP 348 N 2.77 0.20 0.00 0.00 5.75 -0.91 -1.66 116.55 122.69 1pvj n ASP 348 Ca -0.14 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1pvj n ASP 348 Cb 0.56 -0.01 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 0.88 2.45 2.12 6.12 0.00 -1.21 -4.75 105.19 110.80 1pvj n GLY 349 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.52 2.22 -2.08 1.61 1.74 -1.26 -4.48 116.66 112.89 1pvj n ARG 350 Ca 0.00 -2.70 -0.07 0.00 -0.77 0.00 0.00 57.85 54.31 1pvj n ARG 350 Cb 0.00 -2.06 -0.00 0.00 -1.02 0.00 0.00 32.46 29.38 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 -0.82 -2.69 -4.30 0.55 4.13 -1.26 -5.05 115.26 105.82 1pvj n ASN 351 Ca 0.53 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.50 1pvj n ASN 351 Cb 1.21 -1.96 -0.16 0.00 -1.54 0.00 0.00 39.78 37.34 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 -2.34 2.22 0.04 3.10 0.40 -1.26 -4.72 117.98 115.42 1pvj s PHE 352 Ca 0.00 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1pvj s PHE 352 Cb 0.00 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 1pvj s PHE 352 CO 0.00 0.01 -0.06 0.71 0.70 0.00 0.00 175.22 176.57 1pvj s TYR 353 N -0.65 2.87 -0.23 0.36 1.51 0.15 -2.15 117.35 119.21 1pvj s TYR 353 Ca 0.10 -0.06 -0.19 0.00 -1.01 0.00 0.00 57.07 55.91 1pvj s TYR 353 Cb -0.10 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1pvj s TYR 353 CO -0.00 0.40 0.57 -1.58 -1.11 0.00 0.00 175.55 173.83 1pvj s HIS 354 N -1.09 3.32 0.09 2.71 2.46 -0.23 0.20 115.29 122.75 1pvj s HIS 354 Ca 0.19 0.79 0.05 0.00 0.47 0.00 0.00 55.06 56.56 1pvj s HIS 354 Cb -0.11 -2.76 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 1pvj s HIS 354 CO 0.10 -0.22 -0.01 0.08 -2.47 0.00 0.00 174.74 172.22 1pvj s VAL 355 N 2.10 3.95 -0.22 0.89 1.01 0.47 -1.30 120.40 127.30 1pvj s VAL 355 Ca 0.25 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1pvj s VAL 355 Cb -0.16 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.41 1pvj s VAL 355 CO 0.09 0.13 -0.04 0.21 0.00 0.00 0.00 175.10 175.50 1pvj s ASN 356 N -2.26 3.58 0.00 3.32 3.84 0.27 -2.79 114.94 120.91 1pvj s ASN 356 Ca 0.25 -1.06 0.18 0.00 0.21 0.00 0.00 52.86 52.43 1pvj s ASN 356 Cb -0.12 -1.04 1.06 0.00 -0.55 0.00 0.00 41.25 40.59 1pvj s ASN 356 CO 0.17 -0.24 1.68 0.79 -2.79 0.00 0.00 177.10 176.71 1pvj n TRP 357 N 4.76 0.00 -3.43 0.43 7.02 -1.26 -2.10 117.44 122.86 1pvj n TRP 357 Ca -0.11 -0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.18 1pvj n TRP 357 Cb 0.45 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.41 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 0.78 -0.75 0.38 6.99 0.00 -1.26 -4.90 105.19 106.43 1pvj n GLY 358 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 7.02 -1.19 -4.29 117.44 116.79 1pvj n TRP 359 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1pvj n TRP 359 Cb 0.64 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.54 1pvj n TRP 359 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1pvj n GLY 360 N 0.00 2.06 0.00 6.99 0.00 -0.36 -4.09 105.19 109.79 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 1.30 3.77 -0.02 0.00 -1.26 -4.88 105.19 102.10 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 -0.50 2.45 0.00 1.61 0.11 -1.26 -1.69 120.40 121.12 1pvj s VAL 362 Ca 0.00 0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1pvj s VAL 362 Cb 0.00 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1pvj s VAL 362 CO 0.00 0.10 0.00 -1.20 -3.33 0.00 0.00 175.10 170.67 1pvj n SER 363 N 0.90 0.00 -4.74 3.54 7.64 0.07 -4.77 113.62 116.26 1pvj n SER 363 Ca 0.01 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1pvj n SER 363 Cb 0.41 -0.53 0.06 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.12 4.81 0.00 6.43 1.11 -0.68 -4.91 116.67 120.32 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 -1.86 0.00 0.61 1.18 0.00 0.00 175.17 175.10 1pvj n GLY 365 N 0.74 -0.30 3.79 0.21 0.00 -1.12 -4.81 105.19 103.70 1pvj n GLY 365 Ca 0.15 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.11 3.50 0.22 1.61 0.40 0.03 -0.39 117.98 120.23 1pvj s PHE 366 Ca 0.00 0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1pvj s PHE 366 Cb 0.00 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1pvj s PHE 366 CO 0.00 0.48 0.02 -0.06 0.70 0.00 0.00 175.22 176.36 1pvj s PHE 367 N -0.24 1.45 -0.03 0.36 0.40 0.13 -0.75 117.98 119.29 1pvj s PHE 367 Ca 0.11 -1.00 -0.10 0.00 -0.60 0.00 0.00 56.93 55.35 1pvj s PHE 367 Cb -0.12 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1pvj s PHE 367 CO 0.01 -0.15 0.28 1.03 0.70 0.00 0.00 175.22 177.09 1pvj s ARG 368 N -3.91 3.65 0.64 0.44 0.52 -0.74 0.29 118.95 119.85 1pvj s ARG 368 Ca 0.29 0.08 0.42 0.00 -0.52 0.00 0.00 55.73 56.00 1pvj s ARG 368 Cb 0.06 -3.15 2.15 0.00 0.52 0.00 0.00 34.95 34.53 1pvj s ARG 368 CO 0.08 0.70 2.27 -0.07 0.02 0.00 0.00 175.30 178.30 1pvj h LEU 369 N 4.52 0.00 -7.16 2.53 3.38 -1.92 -3.45 115.31 113.22 1pvj h LEU 369 Ca -0.52 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.65 1pvj h LEU 369 Cb 1.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 1pvj h LEU 369 CO 0.62 0.00 0.65 1.51 0.09 0.00 0.00 178.44 181.31 1pvj s ASP 370 N -5.30 -0.21 0.00 -0.43 3.84 -1.26 -5.03 116.67 108.28 1pvj s ASP 370 Ca -0.03 -0.09 0.21 0.00 -0.00 0.00 0.00 52.55 52.63 1pvj s ASP 370 Cb 0.12 0.29 0.34 0.00 -1.38 0.00 0.00 42.92 42.29 1pvj s ASP 370 CO 0.45 -0.50 1.30 0.00 -0.00 0.00 0.00 175.17 176.42 1pvj n ALA 371 N -0.28 2.41 -1.63 2.11 0.00 -1.26 -5.01 120.51 116.86 1pvj n ALA 371 Ca -0.05 -0.92 -0.40 0.00 0.00 0.00 0.00 53.44 52.06 1pvj n ALA 371 Cb 0.61 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.31 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 1.29 3.13 -4.76 0.00 4.32 -1.26 -4.09 117.00 115.63 1pvj n LEU 372 Ca 0.16 1.00 -0.36 0.00 -0.02 0.00 0.00 56.01 56.80 1pvj n LEU 372 Cb 0.55 -1.39 -0.07 0.00 -1.62 0.00 0.00 43.42 40.89 1pvj n LEU 372 CO 0.14 -1.39 -0.12 0.21 -1.22 0.00 0.00 177.39 175.00 1pvj s ASN 373 N -0.80 6.32 -0.92 -1.43 3.84 -1.26 -4.80 114.94 115.88 1pvj s ASN 373 Ca 0.65 0.37 -0.25 0.00 0.21 0.00 0.00 52.86 53.84 1pvj s ASN 373 Cb -0.52 -2.12 -0.19 0.00 -0.55 0.00 0.00 41.25 37.88 1pvj s ASN 373 CO 0.55 0.20 2.21 -2.65 -2.79 0.00 0.00 177.10 174.62 1pvj n PRO 374 N 3.22 0.28 0.00 0.43 -0.02 -1.26 -5.04 135.00 132.61 1pvj n PRO 374 Ca -0.15 -1.25 0.00 0.00 -2.02 0.00 0.00 63.50 60.08 1pvj n PRO 374 Cb 0.52 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.33 1pvj n PRO 374 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvj n GLY 385 N 6.35 -1.96 3.67 -1.23 0.00 -1.26 -5.25 105.19 105.52 1pvj n GLY 385 Ca 0.43 0.92 -0.45 0.00 0.00 0.00 0.00 46.02 46.92 1pvj n GLY 385 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pvj n PHE 386 N 0.00 2.45 0.52 1.61 7.35 -1.26 -4.85 117.46 123.27 1pvj n PHE 386 Ca 0.00 -0.16 0.10 0.00 -0.76 0.00 0.00 57.45 56.63 1pvj n PHE 386 Cb 0.00 -2.73 0.13 0.00 0.35 0.00 0.00 39.48 37.24 1pvj n PHE 386 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1pvj n ASN 387 N 6.67 2.93 -0.96 -2.13 6.94 -1.26 -4.97 115.26 122.47 1pvj n ASN 387 Ca 0.21 -1.88 -0.13 0.00 -0.02 0.00 0.00 54.58 52.77 1pvj n ASN 387 Cb 0.35 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.61 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 1.17 1.33 3.15 4.83 0.00 -1.26 -1.92 105.19 112.49 1pvj n GLY 388 Ca 0.14 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.58 -1.90 -0.96 1.61 4.02 -1.26 -1.80 117.16 114.28 1pvj n TYR 389 Ca -0.13 0.50 -0.33 0.00 -0.01 0.00 0.00 57.90 57.94 1pvj n TYR 389 Cb 0.44 -3.88 0.14 0.00 -0.02 0.00 0.00 39.34 36.02 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 -3.91 -0.04 -3.82 -0.72 6.02 -0.81 -3.60 117.38 110.50 1pvj n GLN 390 Ca -0.08 0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1pvj n GLN 390 Cb 0.59 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.50 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 -2.23 -0.10 0.16 1.08 1.04 -1.13 -1.76 113.70 110.75 1pvj s SER 391 Ca 0.70 -0.76 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1pvj s SER 391 Cb -0.27 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1pvj s SER 391 CO 0.54 -1.29 0.61 0.00 0.98 0.00 0.00 173.24 174.08 1pvj s ALA 392 N -2.88 -1.60 -0.22 5.32 0.00 -0.42 -2.00 121.76 119.96 1pvj s ALA 392 Ca 0.15 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1pvj s ALA 392 Cb -0.04 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1pvj s ALA 392 CO 0.07 -0.77 -0.11 0.08 0.00 0.00 0.00 175.76 175.03 1pvj s VAL 393 N -3.73 2.62 0.44 0.00 1.01 -0.62 -0.70 120.40 119.42 1pvj s VAL 393 Ca 0.01 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1pvj s VAL 393 Cb -0.01 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1pvj s VAL 393 CO -0.13 0.35 0.01 0.68 0.00 0.00 0.00 175.10 176.01 1pvj s VAL 394 N 1.32 1.71 -0.31 2.92 -7.23 -0.55 -2.48 120.40 115.78 1pvj s VAL 394 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1pvj s VAL 394 Cb -0.15 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1pvj s VAL 394 CO -0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1pvj n GLY 395 N -1.05 0.61 3.55 2.32 0.00 -1.26 -1.43 105.19 107.93 1pvj n GLY 395 Ca -0.09 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.08 3.54 0.06 -0.61 1.01 -1.26 -2.65 121.20 119.21 1pvj s ILE 396 Ca 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 1pvj s ILE 396 Cb 0.00 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 38.13 1pvj s ILE 396 CO 0.00 -1.35 0.55 -1.59 0.00 0.00 0.00 174.94 172.55 1pvj s LYS 397 N 6.39 1.10 0.00 2.79 -2.85 -1.26 -4.80 119.74 121.11 1pvj s LYS 397 Ca 0.52 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 1pvj s LYS 397 Cb -0.10 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1pvj s LYS 397 CO 0.18 -0.41 0.24 -2.30 0.10 0.00 0.00 175.35 173.16