#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvn s LYS 3 N 0.00 2.95 0.43 0.00 2.20 -1.26 -5.13 119.74 118.94 1pvn s LYS 3 Ca 0.00 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1pvn s LYS 3 Cb 0.00 -2.66 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 1pvn s LYS 3 CO 0.00 0.57 0.02 0.71 -0.36 0.00 0.00 175.35 176.28 1pvn s TYR 4 N -0.55 2.25 0.20 4.03 1.51 -1.26 -5.16 117.35 118.36 1pvn s TYR 4 Ca 0.08 -0.80 0.10 0.00 -1.01 0.00 0.00 57.07 55.44 1pvn s TYR 4 Cb -0.12 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1pvn s TYR 4 CO 0.02 0.32 -0.19 0.71 -1.11 0.00 0.00 175.55 175.30 1pvn s TYR 5 N -2.83 1.99 0.13 2.71 1.51 -1.26 -5.05 117.35 114.56 1pvn s TYR 5 Ca 0.26 -0.43 0.16 0.00 -1.01 0.00 0.00 57.07 56.04 1pvn s TYR 5 Cb 0.07 -0.96 0.47 0.00 -0.11 0.00 0.00 41.96 41.44 1pvn s TYR 5 CO 0.13 0.44 1.64 -0.91 -1.11 0.00 0.00 175.55 175.74 1pvn h ASN 6 N 2.97 0.00 -4.42 2.29 2.35 -2.09 -3.45 115.58 113.23 1pvn h ASN 6 Ca -0.42 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.00 1pvn h ASN 6 Cb 1.22 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.40 1pvn h ASN 6 CO 0.53 0.48 -0.74 -1.61 -1.65 0.00 0.00 177.43 174.44 1pvn s GLU 7 N -3.45 0.82 0.65 0.81 0.41 -1.26 -5.15 118.70 111.53 1pvn s GLU 7 Ca 0.00 -1.10 -0.11 0.00 -0.41 0.00 0.00 54.97 53.36 1pvn s GLU 7 Cb 0.11 -0.55 -0.02 0.00 -1.78 0.00 0.00 34.13 31.88 1pvn s GLU 7 CO 0.72 0.09 1.04 -1.25 -0.49 0.00 0.00 175.26 175.37 1pvn s PRO 8 N -2.55 3.33 0.50 0.39 0.04 -1.26 -5.04 135.00 130.40 1pvn s PRO 8 Ca 0.03 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 1pvn s PRO 8 Cb -0.04 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1pvn s PRO 8 CO 0.00 -0.79 0.95 0.00 0.04 0.00 0.00 177.00 177.21 1pvn s HIS 10 N -2.60 1.61 0.28 0.00 3.76 -1.26 -4.80 115.29 112.28 1pvn s HIS 10 Ca 0.57 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 1pvn s HIS 10 Cb -0.10 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 1pvn s HIS 10 CO 0.32 -0.23 0.21 -0.08 -0.85 0.00 0.00 174.74 174.12 1pvn s THR 11 N -3.62 0.03 0.17 1.30 -1.32 -1.26 -2.15 115.64 108.80 1pvn s THR 11 Ca 0.36 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.72 1pvn s THR 11 Cb 0.08 -2.50 0.21 0.00 -1.51 0.00 0.00 72.50 68.77 1pvn s THR 11 CO 0.13 0.00 1.13 0.49 -2.21 0.00 0.00 174.62 174.16 1pvn n PHE 12 N -0.50 0.07 0.21 9.09 0.99 -1.26 -1.14 117.46 124.92 1pvn n PHE 12 Ca 0.05 0.90 0.12 0.00 -0.00 0.00 0.00 57.45 58.52 1pvn n PHE 12 Cb 0.64 -0.80 0.66 0.00 -1.00 0.00 0.00 39.48 38.98 1pvn n PHE 12 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1pvn h ASN 13 N 0.00 0.00 -0.09 4.37 -0.26 -1.98 -1.56 115.58 116.06 1pvn h ASN 13 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1pvn h ASN 13 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1pvn h ASN 13 CO -0.73 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.02 1pvn n GLU 14 N -2.41 1.78 -4.43 0.81 1.02 -0.30 -4.94 120.64 112.16 1pvn n GLU 14 Ca -0.02 -1.15 -0.25 0.00 -0.02 0.00 0.00 57.16 55.72 1pvn n GLU 14 Cb 0.15 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1pvn n GLU 14 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pvn s TYR 15 N -1.90 2.33 0.02 -0.32 1.51 -0.59 0.17 117.35 118.57 1pvn s TYR 15 Ca 0.35 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1pvn s TYR 15 Cb 0.20 -1.08 -0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1pvn s TYR 15 CO 0.31 0.61 0.13 -0.51 -1.11 0.00 0.00 175.55 174.97 1pvn s LEU 16 N -3.12 1.62 -0.12 -1.29 1.43 -0.82 -4.95 118.68 111.44 1pvn s LEU 16 Ca 0.26 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1pvn s LEU 16 Cb -0.07 0.67 -0.05 0.00 0.03 0.00 0.00 46.19 46.77 1pvn s LEU 16 CO 0.13 -0.42 0.23 -0.76 0.23 0.00 0.00 176.35 175.76 1pvn s LEU 17 N -1.65 4.34 -0.34 1.79 1.43 -1.26 -1.77 118.68 121.22 1pvn s LEU 17 Ca -0.11 0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1pvn s LEU 17 Cb -0.05 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1pvn s LEU 17 CO -0.01 0.28 0.24 -0.63 0.23 0.00 0.00 176.35 176.47 1pvn s ILE 18 N -0.46 5.28 0.40 -0.59 1.01 0.13 -5.00 121.20 121.97 1pvn s ILE 18 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 1pvn s ILE 18 Cb -0.13 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 1pvn s ILE 18 CO 0.05 -0.02 1.01 -2.65 0.00 0.00 0.00 174.94 173.33 1pvn n PRO 19 N 5.11 1.37 -0.23 2.79 -0.02 -1.26 -4.30 135.00 138.45 1pvn n PRO 19 Ca -0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1pvn n PRO 19 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1pvn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvn n GLY 20 N 1.18 4.23 3.71 -1.23 0.00 -1.14 -4.98 105.19 106.97 1pvn n GLY 20 Ca 0.09 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1pvn n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pvn s LEU 21 N 0.00 4.37 -0.26 0.99 2.96 -1.26 -4.66 118.68 120.81 1pvn s LEU 21 Ca 0.00 1.96 -0.09 0.00 -0.22 0.00 0.00 54.13 55.78 1pvn s LEU 21 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1pvn s LEU 21 CO 0.00 -0.45 0.12 -0.44 -1.32 0.00 0.00 176.35 174.26 1pvn s SER 22 N 1.07 5.47 0.65 3.68 0.01 -1.26 -3.85 113.70 119.47 1pvn s SER 22 Ca 0.58 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 1pvn s SER 22 Cb -0.28 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.00 1pvn s SER 22 CO 0.29 -0.04 0.94 0.42 0.41 0.00 0.00 173.24 175.25 1pvn s THR 23 N 1.67 2.47 0.58 1.44 -4.23 -1.26 -4.94 115.64 111.37 1pvn s THR 23 Ca 0.07 -0.37 0.39 0.00 -1.18 0.00 0.00 61.69 60.60 1pvn s THR 23 Cb -0.15 -3.03 0.41 0.00 1.34 0.00 0.00 72.50 71.07 1pvn s THR 23 CO 0.06 -0.03 2.30 -0.37 -0.54 0.00 0.00 174.62 176.04 1pvn h VAL 24 N -0.37 0.15 -0.01 2.29 -1.51 -2.02 -0.70 116.25 114.08 1pvn h VAL 24 Ca -0.44 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1pvn h VAL 24 Cb 1.31 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1pvn h VAL 24 CO 0.58 0.01 -0.08 -0.90 -1.23 0.00 0.00 177.57 175.95 1pvn n ASP 25 N -3.28 0.96 -3.77 4.19 5.68 -1.26 -4.51 116.55 114.55 1pvn n ASP 25 Ca -0.03 -1.09 -0.42 0.00 -0.50 0.00 0.00 54.79 52.75 1pvn n ASP 25 Cb 0.11 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1pvn n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pvn s ILE 27 N 2.35 4.04 0.40 0.00 1.01 -1.26 -4.83 121.20 122.90 1pvn s ILE 27 Ca 0.45 -0.33 0.19 0.00 0.00 0.00 0.00 60.65 60.96 1pvn s ILE 27 Cb 0.13 -2.72 0.39 0.00 0.01 0.00 0.00 42.46 40.27 1pvn s ILE 27 CO -0.06 0.55 1.77 -0.65 0.00 0.00 0.00 174.94 176.55 1pvn h PRO 28 N 5.88 0.37 0.00 2.79 0.11 -1.91 0.14 132.00 139.39 1pvn h PRO 28 Ca -0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1pvn h PRO 28 Cb 1.19 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pvn h PRO 28 CO 0.58 0.24 -0.03 0.66 -0.21 0.00 0.00 178.00 179.25 1pvn h SER 29 N 0.38 0.00 0.14 -2.05 4.64 -1.95 -2.41 113.55 112.30 1pvn h SER 29 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1pvn h SER 29 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1pvn h SER 29 CO -0.29 0.03 -0.17 0.59 -0.87 0.00 0.00 176.83 176.11 1pvn n ASN 30 N -3.16 1.27 -4.71 4.97 3.02 0.49 -4.92 115.26 112.23 1pvn n ASN 30 Ca -0.00 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 1pvn n ASN 30 Cb 0.26 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1pvn n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pvn s VAL 31 N -2.32 4.05 -0.32 2.41 1.01 -0.91 -4.92 120.40 119.41 1pvn s VAL 31 Ca 0.29 1.45 -0.10 0.00 0.00 0.00 0.00 61.98 63.62 1pvn s VAL 31 Cb 0.20 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pvn s VAL 31 CO 0.45 0.08 0.17 0.21 0.00 0.00 0.00 175.10 176.01 1pvn s ASN 32 N 1.21 5.62 -0.08 3.32 2.47 0.69 -4.97 114.94 123.20 1pvn s ASN 32 Ca 0.59 -0.57 0.13 0.00 0.42 0.00 0.00 52.86 53.43 1pvn s ASN 32 Cb -0.29 -2.02 0.53 0.00 -1.45 0.00 0.00 41.25 38.02 1pvn s ASN 32 CO 0.27 -0.22 1.40 0.18 -3.72 0.00 0.00 177.10 175.01 1pvn n LEU 33 N 5.00 3.56 -4.74 3.21 4.32 -1.26 -3.85 117.00 123.24 1pvn n LEU 33 Ca -0.13 -1.80 -0.37 0.00 -0.02 0.00 0.00 56.01 53.69 1pvn n LEU 33 Cb 0.49 -0.48 0.05 0.00 -1.62 0.00 0.00 43.42 41.86 1pvn n LEU 33 CO 0.34 0.63 0.88 -0.44 -1.22 0.00 0.00 177.39 177.58 1pvn s SER 34 N -0.80 4.88 -0.14 -1.43 0.01 -1.19 -3.67 113.70 111.36 1pvn s SER 34 Ca 0.37 2.52 -0.24 0.00 1.31 0.00 0.00 55.95 59.91 1pvn s SER 34 Cb 0.24 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.92 1pvn s SER 34 CO 0.18 -1.81 0.60 0.28 0.41 0.00 0.00 173.24 172.90 1pvn s THR 35 N -1.48 0.01 0.29 1.44 -1.32 -0.86 -4.66 115.64 109.06 1pvn s THR 35 Ca 0.80 -0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.93 1pvn s THR 35 Cb -0.34 -0.88 -0.10 0.00 -1.51 0.00 0.00 72.50 69.67 1pvn s THR 35 CO 0.37 -0.03 1.10 -2.16 -2.21 0.00 0.00 174.62 171.69 1pvn s PRO 36 N -0.43 4.59 -0.22 7.08 0.04 -1.26 -0.72 135.00 144.07 1pvn s PRO 36 Ca -0.06 1.80 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1pvn s PRO 36 Cb -0.03 -3.13 -0.21 0.00 0.04 0.00 0.00 34.50 31.17 1pvn s PRO 36 CO 0.05 0.17 -0.05 -0.11 0.04 0.00 0.00 177.00 177.10 1pvn n LEU 37 N 1.07 1.18 -4.31 -3.56 7.94 0.14 -4.81 117.00 114.66 1pvn n LEU 37 Ca -0.01 -0.05 -0.22 0.00 -1.11 0.00 0.00 56.01 54.62 1pvn n LEU 37 Cb 0.45 -0.06 -0.11 0.00 0.53 0.00 0.00 43.42 44.23 1pvn n LEU 37 CO 0.53 0.66 -0.48 0.68 -1.11 0.00 0.00 177.39 177.67 1pvn s VAL 38 N -2.49 1.74 0.55 1.96 -7.23 -1.25 -4.59 120.40 109.08 1pvn s VAL 38 Ca -0.19 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 1pvn s VAL 38 Cb 0.07 -1.75 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1pvn s VAL 38 CO 0.72 -0.28 1.04 2.29 -0.31 0.00 0.00 175.10 178.56 1pvn n LYS 39 N 0.48 1.13 -4.02 4.82 2.85 0.11 -4.59 118.16 118.94 1pvn n LYS 39 Ca -0.15 0.42 -0.10 0.00 -1.05 0.00 0.00 58.31 57.44 1pvn n LYS 39 Cb 0.56 -2.21 -0.06 0.00 -0.65 0.00 0.00 35.03 32.68 1pvn n LYS 39 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1pvn s PHE 40 N -1.43 0.47 0.27 5.58 -0.12 -0.89 -4.74 117.98 117.12 1pvn s PHE 40 Ca 0.72 -0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 56.63 1pvn s PHE 40 Cb -0.45 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 41.92 1pvn s PHE 40 CO 0.50 -0.91 0.71 -0.65 -0.05 0.00 0.00 175.22 174.82 1pvn s GLN 41 N -4.03 4.09 0.27 1.99 -1.52 -1.26 -0.99 119.66 118.21 1pvn s GLN 41 Ca 0.24 0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 54.08 1pvn s GLN 41 Cb 0.01 -2.65 -0.14 0.00 -0.22 0.00 0.00 33.01 30.00 1pvn s GLN 41 CO 0.08 0.28 1.02 1.17 -0.25 0.00 0.00 175.29 177.59 1pvn n LYS 42 N 0.15 1.27 0.00 2.91 4.81 0.54 -1.05 118.16 126.79 1pvn n LYS 42 Ca 0.01 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1pvn n LYS 42 Cb 0.52 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1pvn n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pvn n GLY 43 N 1.41 2.71 3.78 3.14 0.00 -1.26 -5.01 105.19 109.96 1pvn n GLY 43 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1pvn n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pvn n GLN 44 N -2.00 0.66 -4.17 1.61 6.02 -0.21 -5.14 117.38 114.15 1pvn n GLN 44 Ca 0.00 -3.26 -0.29 0.00 -0.01 0.00 0.00 57.00 53.44 1pvn n GLN 44 Cb 0.00 0.13 -0.08 0.00 1.02 0.00 0.00 30.24 31.31 1pvn n GLN 44 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pvn s GLN 45 N -4.36 2.41 0.59 -1.09 -0.21 -1.26 -4.84 119.66 110.90 1pvn s GLN 45 Ca 0.42 -0.94 -0.18 0.00 0.02 0.00 0.00 55.36 54.68 1pvn s GLN 45 Cb -0.03 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 1pvn s GLN 45 CO 0.27 0.51 1.16 0.45 -2.12 0.00 0.00 175.29 175.56 1pvn s SER 46 N -2.43 5.35 0.47 5.90 0.15 -1.26 -4.86 113.70 117.02 1pvn s SER 46 Ca 0.25 2.23 0.30 0.00 0.70 0.00 0.00 55.95 59.44 1pvn s SER 46 Cb -0.11 -2.58 1.16 0.00 -1.71 0.00 0.00 66.02 62.77 1pvn s SER 46 CO 0.17 -1.47 1.88 -0.33 1.20 0.00 0.00 173.24 174.69 1pvn h GLU 47 N 0.83 0.00 -3.73 5.44 5.08 -1.85 -3.40 114.58 116.94 1pvn h GLU 47 Ca -0.50 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 1pvn h GLU 47 Cb 1.27 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.14 1pvn h GLU 47 CO 0.55 0.00 -0.77 0.42 -1.00 0.00 0.00 179.01 178.21 1pvn s ILE 48 N -3.52 0.49 -0.08 3.13 1.01 -1.26 -5.08 121.20 115.88 1pvn s ILE 48 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1pvn s ILE 48 Cb 0.09 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1pvn s ILE 48 CO 0.53 0.17 -0.20 0.20 0.00 0.00 0.00 174.94 175.64 1pvn s ASN 49 N 1.91 2.60 0.50 3.58 0.01 -1.26 -0.68 114.94 121.60 1pvn s ASN 49 Ca 0.04 -0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 51.67 1pvn s ASN 49 Cb -0.13 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 1pvn s ASN 49 CO -0.06 0.12 0.81 -0.76 -1.51 0.00 0.00 177.10 175.70 1pvn s LEU 50 N 0.40 3.54 0.12 0.60 1.43 0.10 -4.89 118.68 119.98 1pvn s LEU 50 Ca -0.16 0.90 0.20 0.00 -1.03 0.00 0.00 54.13 54.04 1pvn s LEU 50 Cb -0.17 -3.84 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 1pvn s LEU 50 CO 0.07 -0.67 0.89 0.29 0.23 0.00 0.00 176.35 177.16 1pvn n LYS 51 N -2.33 0.62 -4.11 1.70 5.02 0.12 -2.03 118.16 117.15 1pvn n LYS 51 Ca 0.01 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1pvn n LYS 51 Cb 0.56 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1pvn n LYS 51 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1pvn s ILE 52 N -3.16 0.49 -0.02 -0.18 -4.36 -1.06 -3.17 121.20 109.75 1pvn s ILE 52 Ca -0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.68 1pvn s ILE 52 Cb 0.09 -0.50 0.02 0.00 1.25 0.00 0.00 42.46 43.32 1pvn s ILE 52 CO 0.81 -0.15 1.59 -0.81 0.24 0.00 0.00 174.94 176.62 1pvn n PRO 53 N 2.15 1.06 -5.06 0.37 -0.04 -1.24 -4.42 135.00 127.82 1pvn n PRO 53 Ca -0.18 -0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 62.84 1pvn n PRO 53 Cb 0.56 -1.05 -0.16 0.00 -0.04 0.00 0.00 33.50 32.82 1pvn n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pvn s LEU 54 N -0.13 2.34 0.01 1.53 1.43 -1.26 -0.56 118.68 122.04 1pvn s LEU 54 Ca 0.02 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1pvn s LEU 54 Cb 0.02 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1pvn s LEU 54 CO 0.00 0.20 -0.10 0.68 0.23 0.00 0.00 176.35 177.36 1pvn s VAL 55 N 0.15 0.78 0.18 -1.59 -7.23 -0.02 -3.25 120.40 109.42 1pvn s VAL 55 Ca -0.11 -0.64 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 1pvn s VAL 55 Cb -0.16 -0.69 -0.08 0.00 0.56 0.00 0.00 36.38 36.01 1pvn s VAL 55 CO 0.06 0.06 0.67 -0.94 -0.31 0.00 0.00 175.10 174.64 1pvn s SER 56 N -0.66 7.03 0.68 4.85 1.04 -1.05 -1.37 113.70 124.23 1pvn s SER 56 Ca 0.01 1.34 -0.17 0.00 0.48 0.00 0.00 55.95 57.61 1pvn s SER 56 Cb -0.06 -2.39 -0.00 0.00 0.10 0.00 0.00 66.02 63.68 1pvn s SER 56 CO 0.00 0.09 1.13 0.00 0.98 0.00 0.00 173.24 175.45 1pvn n ALA 57 N 0.94 0.45 -2.00 5.32 0.00 -0.19 -3.36 120.51 121.67 1pvn n ALA 57 Ca -0.04 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1pvn n ALA 57 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1pvn n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pvn n ILE 58 N -2.23 3.70 -4.12 0.00 5.41 -1.26 -3.81 119.36 117.06 1pvn n ILE 58 Ca 0.15 -3.46 -0.15 0.00 1.00 0.00 0.00 62.75 60.29 1pvn n ILE 58 Cb 0.49 -2.52 -0.13 0.00 -0.71 0.00 0.00 39.64 36.76 1pvn n ILE 58 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1pvn s MET 59 N 2.82 0.49 0.27 0.38 -1.94 -1.26 -4.72 119.30 115.34 1pvn s MET 59 Ca 0.47 -0.49 -0.02 0.00 -1.71 0.00 0.00 55.69 53.94 1pvn s MET 59 Cb 0.11 -0.37 0.43 0.00 2.01 0.00 0.00 34.83 37.02 1pvn s MET 59 CO -0.05 0.08 1.87 1.96 -0.01 0.00 0.00 175.02 178.88 1pvn h GLN 60 N 5.22 1.11 -0.31 2.03 4.20 -1.90 -1.34 115.11 124.13 1pvn h GLN 60 Ca -0.32 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1pvn h GLN 60 Cb 1.20 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1pvn h GLN 60 CO 0.45 0.73 0.00 -1.13 -0.67 0.00 0.00 178.83 178.22 1pvn n SER 61 N -4.53 1.36 0.05 1.46 3.41 -1.26 -4.58 113.62 109.53 1pvn n SER 61 Ca 0.16 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1pvn n SER 61 Cb 0.21 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1pvn n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pvn n VAL 62 N 0.15 0.24 -2.95 -3.33 0.31 -0.57 -4.49 118.33 107.69 1pvn n VAL 62 Ca 0.08 0.08 -0.44 0.00 -0.01 0.00 0.00 64.34 64.05 1pvn n VAL 62 Cb 0.23 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1pvn n VAL 62 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1pvn n SER 63 N -2.99 5.23 -2.41 4.52 7.64 -0.79 -4.30 113.62 120.52 1pvn n SER 63 Ca 0.00 -2.98 -0.03 0.00 1.01 0.00 0.00 58.87 56.87 1pvn n SER 63 Cb 0.00 -1.57 0.01 0.00 -1.01 0.00 0.00 64.21 61.64 1pvn n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pvn n GLY 64 N 4.03 2.37 0.14 0.23 0.00 -1.26 -3.27 105.19 107.42 1pvn n GLY 64 Ca 0.37 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1pvn n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pvn h GLU 65 N 0.00 0.37 -0.94 1.61 5.08 -1.92 -1.96 114.58 116.81 1pvn h GLU 65 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pvn h GLU 65 Cb 0.18 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1pvn h GLU 65 CO 0.06 0.24 0.58 0.87 -1.00 0.00 0.00 179.01 179.77 1pvn h LYS 66 N 0.38 1.26 -0.23 2.33 1.57 -1.96 -2.10 116.57 117.81 1pvn h LYS 66 Ca 0.10 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pvn h LYS 66 Cb -0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1pvn h LYS 66 CO -0.03 0.87 0.05 1.98 -0.57 0.00 0.00 179.45 181.75 1pvn h MET 67 N 1.29 0.38 -0.74 3.15 4.05 -1.49 -1.79 114.93 119.77 1pvn h MET 67 Ca 0.34 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1pvn h MET 67 Cb -0.08 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1pvn h MET 67 CO -0.07 0.50 0.45 0.00 0.23 0.00 0.00 176.91 178.02 1pvn h ALA 68 N 0.86 0.98 -0.05 0.39 0.00 -1.07 0.29 119.26 120.66 1pvn h ALA 68 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pvn h ALA 68 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pvn h ALA 68 CO 0.00 0.19 -0.02 0.82 0.00 0.00 0.00 179.25 180.24 1pvn h ILE 69 N 0.84 1.32 -0.65 0.00 2.04 -1.33 -1.51 117.51 118.22 1pvn h ILE 69 Ca 0.31 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1pvn h ILE 69 Cb 0.11 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1pvn h ILE 69 CO -0.15 0.27 0.41 0.00 0.00 0.00 0.00 178.15 178.69 1pvn h ALA 70 N 0.62 0.82 -0.23 1.87 0.00 -1.07 -0.97 119.26 120.29 1pvn h ALA 70 Ca 0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1pvn h ALA 70 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pvn h ALA 70 CO 0.01 0.27 -0.63 1.25 0.00 0.00 0.00 179.25 180.15 1pvn h LEU 71 N 0.88 0.94 -1.00 0.00 5.85 -0.99 -2.92 115.31 118.07 1pvn h LEU 71 Ca 0.24 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1pvn h LEU 71 Cb -0.07 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 1pvn h LEU 71 CO -0.05 1.34 0.59 0.00 -0.34 0.00 0.00 178.44 179.98 1pvn h ALA 72 N 0.67 1.26 -0.37 1.25 0.00 -1.08 -1.05 119.26 119.92 1pvn h ALA 72 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pvn h ALA 72 Cb 1.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1pvn h ALA 72 CO 0.13 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.27 1pvn h ARG 73 N 1.30 0.50 -0.01 0.00 3.08 -1.07 -1.64 114.38 116.53 1pvn h ARG 73 Ca 0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1pvn h ARG 73 Cb -0.08 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1pvn h ARG 73 CO -0.07 0.34 -0.04 0.39 -1.07 0.00 0.00 179.97 179.53 1pvn n GLU 74 N -4.47 1.31 0.00 0.04 -0.58 -0.68 -4.92 120.64 111.34 1pvn n GLU 74 Ca 0.03 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 1pvn n GLU 74 Cb 0.07 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1pvn n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pvn n GLY 75 N 1.16 0.66 0.00 0.62 0.00 -0.62 -4.63 105.19 102.38 1pvn n GLY 75 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pvn n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 76 N -1.25 2.58 3.47 -0.02 0.00 -0.49 -0.70 105.19 108.79 1pvn n GLY 76 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1pvn n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pvn s ILE 77 N 2.38 0.01 0.07 -0.61 2.07 -1.20 -4.00 121.20 119.92 1pvn s ILE 77 Ca 0.00 -0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.22 1pvn s ILE 77 Cb 0.00 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1pvn s ILE 77 CO 0.00 -0.04 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.52 1pvn s SER 78 N -0.42 4.83 -0.52 4.50 0.01 -1.26 -2.52 113.70 118.31 1pvn s SER 78 Ca -0.06 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 1pvn s SER 78 Cb -0.03 -1.11 0.14 0.00 0.21 0.00 0.00 66.02 65.23 1pvn s SER 78 CO 0.04 0.20 0.37 -0.36 0.41 0.00 0.00 173.24 173.91 1pvn s PHE 79 N -1.22 3.49 0.01 2.43 0.40 -1.21 -0.18 117.98 121.69 1pvn s PHE 79 Ca 0.23 -2.21 -0.38 0.00 -0.60 0.00 0.00 56.93 53.97 1pvn s PHE 79 Cb -0.11 -3.39 -0.17 0.00 0.51 0.00 0.00 43.02 39.85 1pvn s PHE 79 CO 0.15 -0.95 1.39 -0.89 0.70 0.00 0.00 175.22 175.61 1pvn n ILE 80 N 4.42 0.05 -1.74 0.64 2.08 -0.39 -4.16 119.36 120.26 1pvn n ILE 80 Ca -0.01 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.89 1pvn n ILE 80 Cb 0.41 -0.80 0.01 0.00 -0.75 0.00 0.00 39.64 38.51 1pvn n ILE 80 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1pvn n PHE 81 N 2.92 2.51 1.01 1.39 1.16 -1.20 -1.46 117.46 123.79 1pvn n PHE 81 Ca 0.20 0.47 0.12 0.00 -1.87 0.00 0.00 57.45 56.36 1pvn n PHE 81 Cb 0.16 -2.44 0.06 0.00 -1.61 0.00 0.00 39.48 35.66 1pvn n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pvn n GLY 82 N 0.66 0.58 2.46 4.97 0.00 -1.26 -4.61 105.19 107.98 1pvn n GLY 82 Ca 0.05 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1pvn n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pvn n SER 83 N 0.75 7.49 -3.71 1.61 3.41 -1.26 -4.74 113.62 117.17 1pvn n SER 83 Ca 0.12 -2.76 -0.04 0.00 -0.26 0.00 0.00 58.87 55.93 1pvn n SER 83 Cb 0.54 -1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 62.94 1pvn n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pvn s GLN 84 N 1.67 1.32 0.69 4.33 -2.07 -1.26 -4.96 119.66 119.38 1pvn s GLN 84 Ca 0.61 -0.75 -0.17 0.00 -1.82 0.00 0.00 55.36 53.24 1pvn s GLN 84 Cb 0.17 0.44 0.02 0.00 -1.09 0.00 0.00 33.01 32.54 1pvn s GLN 84 CO -0.07 -0.61 1.26 -1.54 -1.32 0.00 0.00 175.29 173.01 1pvn s SER 85 N -2.98 4.35 0.18 12.60 1.04 -1.26 -4.82 113.70 122.80 1pvn s SER 85 Ca 0.13 2.51 -0.13 0.00 0.48 0.00 0.00 55.95 58.95 1pvn s SER 85 Cb -0.02 -2.61 0.13 0.00 0.10 0.00 0.00 66.02 63.62 1pvn s SER 85 CO 0.04 -2.17 1.81 0.40 0.98 0.00 0.00 173.24 174.29 1pvn h ILE 86 N 0.11 1.03 -0.26 -1.02 2.04 -1.99 -1.54 117.51 115.88 1pvn h ILE 86 Ca -0.49 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.18 1pvn h ILE 86 Cb 1.32 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1pvn h ILE 86 CO 0.51 0.11 0.07 -0.33 0.00 0.00 0.00 178.15 178.51 1pvn h GLU 87 N 0.62 0.17 -0.26 2.37 3.07 -1.99 0.28 114.58 118.84 1pvn h GLU 87 Ca 0.23 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1pvn h GLU 87 Cb 0.06 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1pvn h GLU 87 CO -0.12 0.11 -0.31 0.66 -1.40 0.00 0.00 179.01 177.96 1pvn h SER 88 N 0.18 0.56 -0.30 1.42 4.64 -1.86 -1.53 113.55 116.66 1pvn h SER 88 Ca 0.12 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 1pvn h SER 88 Cb 0.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1pvn h SER 88 CO -0.14 0.84 -0.18 -0.61 -0.87 0.00 0.00 176.83 175.87 1pvn h GLN 89 N 0.47 0.65 -0.89 4.77 4.15 -0.97 -2.18 115.11 121.11 1pvn h GLN 89 Ca 0.06 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 59.19 1pvn h GLN 89 Cb 0.77 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 1pvn h GLN 89 CO 0.06 0.89 0.59 0.00 -1.93 0.00 0.00 178.83 178.45 1pvn h ALA 90 N 0.74 1.36 -0.76 3.38 0.00 -0.82 -1.46 119.26 121.70 1pvn h ALA 90 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1pvn h ALA 90 Cb 0.72 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pvn h ALA 90 CO 0.05 0.59 0.27 0.00 0.00 0.00 0.00 179.25 180.16 1pvn h ALA 91 N 1.44 1.04 -0.28 0.00 0.00 -1.10 -0.01 119.26 120.35 1pvn h ALA 91 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1pvn h ALA 91 Cb -0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1pvn h ALA 91 CO -0.07 0.66 0.04 0.52 0.00 0.00 0.00 179.25 180.40 1pvn h MET 92 N 1.12 0.47 -0.40 0.00 2.07 -0.71 -1.17 114.93 116.31 1pvn h MET 92 Ca 0.25 -0.13 0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1pvn h MET 92 Cb 0.26 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.92 1pvn h MET 92 CO -0.01 0.59 0.25 0.28 1.07 0.00 0.00 176.91 179.09 1pvn h VAL 93 N 0.28 1.08 -0.72 -2.22 2.07 -1.06 -2.03 116.25 113.65 1pvn h VAL 93 Ca 0.08 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1pvn h VAL 93 Cb 0.35 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1pvn h VAL 93 CO 0.01 0.09 0.47 -0.74 0.02 0.00 0.00 177.57 177.42 1pvn h HIS 94 N 0.51 0.88 -0.88 1.57 2.76 -0.87 -0.78 115.15 118.35 1pvn h HIS 94 Ca 0.15 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1pvn h HIS 94 Cb -0.03 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 1pvn h HIS 94 CO -0.06 0.54 0.46 0.00 -1.30 0.00 0.00 177.93 177.57 1pvn h ALA 95 N 1.28 1.13 -0.22 5.26 0.00 -0.84 -0.96 119.26 124.90 1pvn h ALA 95 Ca 0.27 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1pvn h ALA 95 Cb -0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1pvn h ALA 95 CO -0.08 0.66 -0.15 0.28 0.00 0.00 0.00 179.25 179.96 1pvn h VAL 96 N 1.23 1.32 -0.01 0.00 2.07 -0.94 -2.01 116.25 117.91 1pvn h VAL 96 Ca 0.31 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1pvn h VAL 96 Cb 0.06 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1pvn h VAL 96 CO -0.04 0.39 -0.24 0.11 0.02 0.00 0.00 177.57 177.80 1pvn h LYS 97 N 0.18 0.01 -0.36 1.57 1.79 -0.94 -2.92 116.57 115.91 1pvn h LYS 97 Ca 0.04 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1pvn h LYS 97 Cb 0.67 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1pvn h LYS 97 CO 0.04 0.25 0.02 0.09 -1.08 0.00 0.00 179.45 178.77 1pvn n ASN 98 N -4.25 4.14 0.02 0.86 4.13 -0.39 -4.66 115.26 115.11 1pvn n ASN 98 Ca -0.02 -3.09 -0.13 0.00 1.68 0.00 0.00 54.58 53.02 1pvn n ASN 98 Cb 0.30 -0.59 -0.08 0.00 -1.54 0.00 0.00 39.78 37.86 1pvn n ASN 98 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1pvn h PHE 99 N 2.14 -0.01 -3.30 3.10 3.57 -1.15 -3.49 116.94 117.79 1pvn h PHE 99 Ca 0.04 -0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.88 1pvn h PHE 99 Cb 1.63 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 40.08 1pvn h PHE 99 CO 0.70 0.23 -0.77 1.03 -2.23 0.00 0.00 178.31 177.27 1pvn s ARG 231 N -5.24 3.27 0.32 1.11 1.81 -1.26 -5.12 118.95 113.83 1pvn s ARG 231 Ca -0.14 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.90 1pvn s ARG 231 Cb 0.04 -2.85 -0.09 0.00 -0.45 0.00 0.00 34.95 31.60 1pvn s ARG 231 CO 0.66 -0.16 1.09 0.71 -0.68 0.00 0.00 175.30 176.92 1pvn s TYR 232 N 1.32 3.47 0.43 -0.53 4.12 -1.26 -5.03 117.35 119.87 1pvn s TYR 232 Ca 0.04 1.68 -0.21 0.00 0.02 0.00 0.00 57.07 58.60 1pvn s TYR 232 Cb -0.14 -3.24 -0.11 0.00 -1.52 0.00 0.00 41.96 36.95 1pvn s TYR 232 CO -0.05 -0.60 0.95 -0.51 0.02 0.00 0.00 175.55 175.36 1pvn s LEU 233 N -1.84 3.96 -0.21 -1.29 1.02 -1.26 -4.65 118.68 114.42 1pvn s LEU 233 Ca 0.49 1.71 -0.21 0.00 0.02 0.00 0.00 54.13 56.14 1pvn s LEU 233 Cb -0.29 -4.51 0.06 0.00 0.02 0.00 0.00 46.19 41.47 1pvn s LEU 233 CO 0.37 -0.36 0.59 0.54 0.02 0.00 0.00 176.35 177.51 1pvn s VAL 234 N -2.13 0.00 0.48 -1.59 0.11 -1.26 -4.68 120.40 111.33 1pvn s VAL 234 Ca 0.61 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 1pvn s VAL 234 Cb -0.10 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1pvn s VAL 234 CO 0.14 -0.01 0.31 -0.83 -3.33 0.00 0.00 175.10 171.38 1pvn s GLY 235 N 0.18 2.37 -0.17 6.54 0.00 0.75 -1.05 107.32 115.93 1pvn s GLY 235 Ca -0.01 -1.54 -0.13 0.00 0.00 0.00 0.00 44.72 43.03 1pvn s GLY 235 CO 0.01 -1.91 0.43 0.00 0.00 0.00 0.00 173.10 171.64 1pvn s ALA 236 N -2.68 -1.07 0.30 3.20 0.00 -0.73 -1.26 121.76 119.52 1pvn s ALA 236 Ca 0.37 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.47 1pvn s ALA 236 Cb -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 1pvn s ALA 236 CO 0.21 -0.22 0.76 0.20 0.00 0.00 0.00 175.76 176.71 1pvn s GLY 237 N 0.56 2.46 0.24 0.00 0.00 -0.53 -1.87 107.32 108.17 1pvn s GLY 237 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1pvn s GLY 237 CO -0.03 0.41 0.06 -0.26 0.00 0.00 0.00 173.10 173.28 1pvn s ILE 238 N -1.83 0.67 0.41 0.90 -4.36 -0.39 -4.20 121.20 112.39 1pvn s ILE 238 Ca 0.51 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.95 1pvn s ILE 238 Cb -0.13 -2.51 -0.06 0.00 1.25 0.00 0.00 42.46 41.01 1pvn s ILE 238 CO 0.19 -0.13 0.02 0.54 0.24 0.00 0.00 174.94 175.80 1pvn s ASN 239 N -3.29 3.57 -0.00 4.36 2.20 -1.26 -1.09 114.94 119.43 1pvn s ASN 239 Ca 0.34 -1.43 0.05 0.00 -0.94 0.00 0.00 52.86 50.88 1pvn s ASN 239 Cb 0.07 -0.14 0.14 0.00 -2.00 0.00 0.00 41.25 39.33 1pvn s ASN 239 CO 0.11 -0.57 1.12 0.35 -2.94 0.00 0.00 177.10 175.17 1pvn n THR 240 N -0.96 0.22 -0.04 0.54 -2.24 -1.26 -4.01 114.28 106.53 1pvn n THR 240 Ca -0.07 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1pvn n THR 240 Cb 0.67 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1pvn n THR 240 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pvn n ARG 241 N -0.02 0.28 -1.04 -0.78 5.12 -1.26 -4.79 116.66 114.17 1pvn n ARG 241 Ca 0.05 0.12 -0.07 0.00 -1.93 0.00 0.00 57.85 56.02 1pvn n ARG 241 Cb 0.14 -0.99 0.30 0.00 -1.16 0.00 0.00 32.46 30.75 1pvn n ARG 241 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1pvn n ASP 242 N -3.89 4.85 0.19 0.55 5.68 -1.26 -4.62 116.55 118.03 1pvn n ASP 242 Ca -0.14 -3.23 0.12 0.00 -0.50 0.00 0.00 54.79 51.05 1pvn n ASP 242 Cb 0.40 -0.75 0.68 0.00 -1.14 0.00 0.00 41.12 40.31 1pvn n ASP 242 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1pvn h PHE 243 N 2.64 0.00 0.00 2.11 -5.15 -1.87 0.30 116.94 114.98 1pvn h PHE 243 Ca 0.28 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.03 1pvn h PHE 243 Cb 2.38 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.54 1pvn h PHE 243 CO 1.32 0.00 -0.10 0.00 -2.00 0.00 0.00 178.31 177.52 1pvn h ARG 244 N 0.00 0.00 0.00 6.09 3.08 -1.94 -1.21 114.38 120.40 1pvn h ARG 244 Ca 0.08 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.77 1pvn h ARG 244 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1pvn h ARG 244 CO -0.00 0.10 -2.34 0.39 -1.07 0.00 0.00 179.97 177.05 1pvn n GLU 245 N -3.98 0.58 -0.12 0.04 4.71 -0.67 -4.50 120.64 116.70 1pvn n GLU 245 Ca -0.02 0.14 -0.11 0.00 -0.01 0.00 0.00 57.16 57.16 1pvn n GLU 245 Cb 0.19 -1.46 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1pvn n GLU 245 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1pvn h ARG 246 N -0.06 0.68 0.17 3.49 2.43 -0.94 -3.14 114.38 117.01 1pvn h ARG 246 Ca -0.53 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1pvn h ARG 246 Cb 1.79 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1pvn h ARG 246 CO -0.10 0.83 -0.16 0.28 -1.51 0.00 0.00 179.97 179.30 1pvn h VAL 247 N 0.47 0.64 -0.86 0.20 2.07 -1.45 -0.91 116.25 116.41 1pvn h VAL 247 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1pvn h VAL 247 Cb 0.57 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1pvn h VAL 247 CO 0.03 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.49 1pvn h PRO 248 N -0.36 0.88 -0.73 1.57 0.11 -1.77 0.40 132.00 132.10 1pvn h PRO 248 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1pvn h PRO 248 Cb 0.34 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 1pvn h PRO 248 CO -0.04 0.58 0.34 0.00 -0.21 0.00 0.00 178.00 178.67 1pvn h ALA 249 N 1.44 0.95 -0.23 -0.75 0.00 -1.44 -0.35 119.26 118.88 1pvn h ALA 249 Ca 0.40 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1pvn h ALA 249 Cb 0.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pvn h ALA 249 CO -0.21 0.52 -0.59 -0.07 0.00 0.00 0.00 179.25 178.90 1pvn h LEU 250 N 1.03 0.84 -0.40 0.00 3.38 -0.36 -1.20 115.31 118.61 1pvn h LEU 250 Ca 0.25 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1pvn h LEU 250 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pvn h LEU 250 CO -0.03 1.24 0.11 0.58 0.09 0.00 0.00 178.44 180.43 1pvn h VAL 251 N 0.56 1.22 -0.98 1.22 2.07 -0.80 -1.86 116.25 117.68 1pvn h VAL 251 Ca 0.00 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1pvn h VAL 251 Cb 1.18 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1pvn h VAL 251 CO 0.12 0.26 0.65 -0.08 0.02 0.00 0.00 177.57 178.54 1pvn h GLU 252 N 0.50 1.25 0.00 1.57 4.22 -0.98 -1.14 114.58 119.99 1pvn h GLU 252 Ca 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1pvn h GLU 252 Cb 0.29 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pvn h GLU 252 CO -0.00 0.82 0.00 0.00 -2.18 0.00 0.00 179.01 177.65 1pvn h ALA 253 N 1.41 1.00 0.00 2.92 0.00 -0.85 -3.46 119.26 120.28 1pvn h ALA 253 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pvn h ALA 253 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pvn h ALA 253 CO -0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1pvn n GLY 254 N -0.13 1.17 3.75 0.00 0.00 -0.43 -3.90 105.19 105.65 1pvn n GLY 254 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pvn n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 255 N -2.00 3.76 -0.08 4.61 0.00 -0.74 -4.87 121.76 122.43 1pvn s ALA 255 Ca 0.00 1.59 0.13 0.00 0.00 0.00 0.00 51.96 53.68 1pvn s ALA 255 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1pvn s ALA 255 CO 0.00 -1.00 1.26 -0.44 0.00 0.00 0.00 175.76 175.58 1pvn h ASP 256 N 4.87 0.00 -5.00 0.00 5.19 -1.44 -3.45 116.42 116.58 1pvn h ASP 256 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1pvn h ASP 256 Cb 1.22 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.54 1pvn h ASP 256 CO 0.80 0.65 0.08 0.54 -3.12 0.00 0.00 179.24 178.19 1pvn s VAL 257 N -2.88 0.02 0.38 -1.35 0.11 -1.24 -4.55 120.40 110.89 1pvn s VAL 257 Ca 0.02 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1pvn s VAL 257 Cb 0.08 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1pvn s VAL 257 CO 0.78 -0.07 0.05 -0.76 -3.33 0.00 0.00 175.10 171.77 1pvn s LEU 258 N -1.33 2.97 -0.25 2.54 1.43 0.70 -1.77 118.68 122.97 1pvn s LEU 258 Ca -0.11 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.76 1pvn s LEU 258 Cb -0.01 -1.23 0.10 0.00 0.03 0.00 0.00 46.19 45.08 1pvn s LEU 258 CO 0.07 -0.37 0.57 0.00 0.23 0.00 0.00 176.35 176.85 1pvn s ILE 260 N 2.28 3.50 -0.54 0.00 1.01 -0.62 -1.27 121.20 125.56 1pvn s ILE 260 Ca -0.07 1.03 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 1pvn s ILE 260 Cb -0.10 -3.66 0.12 0.00 0.01 0.00 0.00 42.46 38.83 1pvn s ILE 260 CO -0.17 0.06 0.53 -0.62 0.00 0.00 0.00 174.94 174.74 1pvn s ASP 261 N 1.35 6.19 -0.04 3.58 2.15 -0.25 -4.45 116.67 125.19 1pvn s ASP 261 Ca 0.64 -1.65 -0.05 0.00 0.43 0.00 0.00 52.55 51.92 1pvn s ASP 261 Cb -0.34 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 1pvn s ASP 261 CO 0.29 -0.89 0.13 -0.44 -0.17 0.00 0.00 175.17 174.09 1pvn s SER 262 N 3.49 -0.12 0.05 -0.34 0.01 -1.26 -4.22 113.70 111.31 1pvn s SER 262 Ca 0.05 0.20 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 1pvn s SER 262 Cb -0.28 0.27 -0.14 0.00 0.21 0.00 0.00 66.02 66.08 1pvn s SER 262 CO 0.04 -0.09 1.52 -1.28 0.41 0.00 0.00 173.24 173.84 1pvn h SER 263 N 5.72 0.16 -3.82 2.44 0.87 -1.43 -3.39 113.55 114.09 1pvn h SER 263 Ca -0.26 -0.26 -0.65 0.00 -1.23 0.00 0.00 61.79 59.39 1pvn h SER 263 Cb 1.20 -0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 62.72 1pvn h SER 263 CO 0.42 0.37 -0.70 -0.62 -0.53 0.00 0.00 176.83 175.77 1pvn s ASP 264 N -5.61 4.66 0.00 6.23 2.15 -1.26 -4.78 116.67 118.06 1pvn s ASP 264 Ca -0.14 -2.33 0.27 0.00 0.43 0.00 0.00 52.55 50.79 1pvn s ASP 264 Cb 0.05 -1.61 1.31 0.00 -0.30 0.00 0.00 42.92 42.37 1pvn s ASP 264 CO 0.69 -0.35 1.88 0.61 -0.17 0.00 0.00 175.17 177.84 1pvn n GLY 265 N 4.03 -0.41 3.17 2.66 0.00 -0.59 -4.58 105.19 109.47 1pvn n GLY 265 Ca 0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1pvn n GLY 265 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pvn n PHE 266 N -0.31 4.12 -3.71 1.61 -0.00 -1.26 -4.61 117.46 113.29 1pvn n PHE 266 Ca 0.20 -2.92 -0.11 0.00 -0.00 0.00 0.00 57.45 54.62 1pvn n PHE 266 Cb 0.24 -2.58 -0.06 0.00 -0.00 0.00 0.00 39.48 37.08 1pvn n PHE 266 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1pvn s SER 267 N 3.65 -0.14 0.47 -2.13 1.04 -1.26 -5.01 113.70 110.31 1pvn s SER 267 Ca 0.50 -0.29 0.21 0.00 0.48 0.00 0.00 55.95 56.85 1pvn s SER 267 Cb 0.09 0.41 1.16 0.00 0.10 0.00 0.00 66.02 67.78 1pvn s SER 267 CO -0.00 -0.73 1.98 -0.08 0.98 0.00 0.00 173.24 175.39 1pvn h GLU 268 N 2.78 0.00 -0.90 4.02 4.81 -1.99 -2.39 114.58 120.91 1pvn h GLU 268 Ca -0.33 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1pvn h GLU 268 Cb 1.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1pvn h GLU 268 CO 0.48 0.20 0.59 -1.49 -0.73 0.00 0.00 179.01 178.06 1pvn h TRP 269 N 0.00 1.12 -0.24 0.92 4.06 -1.95 0.15 115.95 120.02 1pvn h TRP 269 Ca -0.00 0.03 -0.18 0.00 2.06 0.00 0.00 58.89 60.80 1pvn h TRP 269 Cb 0.44 -0.38 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1pvn h TRP 269 CO 0.00 0.68 -0.56 1.96 -3.56 0.00 0.00 178.44 176.96 1pvn h GLN 270 N 1.19 0.73 -0.84 0.49 4.20 -1.73 -2.00 115.11 117.16 1pvn h GLN 270 Ca 0.34 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1pvn h GLN 270 Cb -0.08 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1pvn h GLN 270 CO -0.09 1.10 0.47 -0.22 -0.67 0.00 0.00 178.83 179.42 1pvn h LYS 271 N 0.56 1.16 -0.39 1.46 3.64 -1.17 -0.47 116.57 121.36 1pvn h LYS 271 Ca 0.01 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1pvn h LYS 271 Cb 1.14 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1pvn h LYS 271 CO 0.12 0.84 0.08 0.82 -2.27 0.00 0.00 179.45 179.04 1pvn h ILE 272 N 1.16 1.23 -0.05 2.00 2.04 -0.64 -0.23 117.51 123.03 1pvn h ILE 272 Ca 0.30 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1pvn h ILE 272 Cb 0.01 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1pvn h ILE 272 CO -0.05 0.28 0.03 0.74 0.00 0.00 0.00 178.15 179.14 1pvn h THR 273 N 0.48 1.04 -0.79 -0.27 2.02 -0.95 -0.96 112.91 113.48 1pvn h THR 273 Ca 0.12 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1pvn h THR 273 Cb 0.33 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1pvn h THR 273 CO 0.00 0.04 0.33 0.40 0.37 0.00 0.00 175.52 176.66 1pvn h ILE 274 N 0.02 1.26 -0.85 3.11 2.04 -1.06 -2.35 117.51 119.69 1pvn h ILE 274 Ca 0.02 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1pvn h ILE 274 Cb 0.04 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1pvn h ILE 274 CO -0.00 0.33 0.46 1.23 0.00 0.00 0.00 178.15 180.17 1pvn h GLY 275 N 1.15 1.26 0.91 5.37 0.00 -0.70 -1.09 103.07 109.96 1pvn h GLY 275 Ca 0.27 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1pvn h GLY 275 CO -0.02 0.55 0.04 -0.25 0.00 0.00 0.00 176.54 176.85 1pvn h TRP 276 N 1.18 0.64 -0.42 5.60 7.01 -0.88 -0.23 115.95 128.84 1pvn h TRP 276 Ca 0.30 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.22 1pvn h TRP 276 Cb 0.03 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 1pvn h TRP 276 CO 0.01 0.66 0.26 0.82 -2.79 0.00 0.00 178.44 177.40 1pvn h ILE 277 N 0.42 1.07 -0.71 2.65 2.04 -1.09 -0.40 117.51 121.49 1pvn h ILE 277 Ca 0.11 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1pvn h ILE 277 Cb 0.38 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1pvn h ILE 277 CO 0.01 0.10 0.26 0.03 0.00 0.00 0.00 178.15 178.54 1pvn h ARG 278 N 0.53 1.06 -0.45 2.37 2.47 -1.04 0.42 114.38 119.73 1pvn h ARG 278 Ca 0.16 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1pvn h ARG 278 Cb -0.02 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 1pvn h ARG 278 CO -0.06 0.88 0.27 0.93 0.56 0.00 0.00 179.97 182.55 1pvn h GLU 279 N 1.03 0.62 0.04 0.04 5.08 -0.43 0.25 114.58 121.22 1pvn h GLU 279 Ca 0.23 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.25 1pvn h GLU 279 Cb 0.23 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1pvn h GLU 279 CO -0.02 0.45 -1.54 0.87 -1.00 0.00 0.00 179.01 177.78 1pvn h LYS 280 N 0.60 0.09 0.00 2.33 1.79 -0.82 -3.41 116.57 117.15 1pvn h LYS 280 Ca 0.16 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1pvn h LYS 280 Cb -0.00 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1pvn h LYS 280 CO -0.03 0.83 0.00 0.66 -1.08 0.00 0.00 179.45 179.83 1pvn n TYR 281 N -3.26 0.00 -3.87 -1.35 4.02 0.14 -5.09 117.16 107.75 1pvn n TYR 281 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1pvn n TYR 281 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1pvn n TYR 281 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pvn n GLY 282 N 0.44 2.93 0.64 2.72 0.00 0.88 -1.79 105.19 111.02 1pvn n GLY 282 Ca 0.00 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1pvn n GLY 282 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pvn n ASP 283 N 2.07 1.91 0.16 1.61 10.43 -1.26 -4.19 116.55 127.29 1pvn n ASP 283 Ca 0.00 -1.80 0.01 0.00 2.57 0.00 0.00 54.79 55.57 1pvn n ASP 283 Cb 0.00 -0.15 0.29 0.00 1.84 0.00 0.00 41.12 43.09 1pvn n ASP 283 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1pvn h LYS 284 N 2.43 0.03 -5.27 -1.24 1.57 -1.75 -3.42 116.57 108.92 1pvn h LYS 284 Ca 0.00 -0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 1pvn h LYS 284 Cb 0.54 -0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.66 1pvn h LYS 284 CO 0.00 0.48 -0.62 0.08 -0.57 0.00 0.00 179.45 178.82 1pvn s VAL 285 N -4.01 4.32 -0.17 0.50 1.01 -1.26 -5.09 120.40 115.70 1pvn s VAL 285 Ca -0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1pvn s VAL 285 Cb 0.14 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1pvn s VAL 285 CO 0.74 0.47 0.26 -0.54 0.00 0.00 0.00 175.10 176.03 1pvn s LYS 286 N 0.43 4.24 -0.07 2.72 -0.14 -1.26 -4.97 119.74 120.69 1pvn s LYS 286 Ca -0.00 0.03 -0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1pvn s LYS 286 Cb -0.13 -3.42 0.03 0.00 -1.68 0.00 0.00 37.83 32.62 1pvn s LYS 286 CO 0.02 0.25 -0.03 0.54 -0.76 0.00 0.00 175.35 175.37 1pvn s VAL 287 N 0.44 0.55 0.53 3.17 0.11 -1.26 -0.22 120.40 123.71 1pvn s VAL 287 Ca 0.15 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1pvn s VAL 287 Cb -0.13 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1pvn s VAL 287 CO 0.03 0.27 0.85 -0.83 -3.33 0.00 0.00 175.10 172.09 1pvn s GLY 288 N 1.57 1.54 0.31 6.54 0.00 0.11 -1.07 107.32 116.32 1pvn s GLY 288 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1pvn s GLY 288 CO -0.04 -0.26 0.53 0.00 0.00 0.00 0.00 173.10 173.34 1pvn s ALA 289 N -2.86 0.07 0.00 3.20 0.00 -0.46 -1.59 121.76 120.11 1pvn s ALA 289 Ca 0.50 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1pvn s ALA 289 Cb -0.10 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1pvn s ALA 289 CO 0.47 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1pvn n GLY 290 N -0.48 0.50 0.00 0.00 0.00 -1.26 -1.27 105.19 102.67 1pvn n GLY 290 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1pvn n GLY 290 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pvn n ASN 291 N 4.81 0.00 -4.49 1.61 4.13 -0.35 -3.48 115.26 117.49 1pvn n ASN 291 Ca 0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 1pvn n ASN 291 Cb 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 1pvn n ASN 291 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1pvn s ILE 292 N 0.00 1.53 0.00 2.41 -5.25 -0.96 -1.54 121.20 117.39 1pvn s ILE 292 Ca 0.00 -2.04 0.00 0.00 -0.99 0.00 0.00 60.65 57.62 1pvn s ILE 292 Cb 0.00 -2.75 0.00 0.00 2.95 0.00 0.00 42.46 42.66 1pvn s ILE 292 CO 0.00 -0.09 0.56 1.33 -1.79 0.00 0.00 174.94 174.95 1pvn n VAL 293 N -0.73 0.21 -4.08 8.37 0.24 -1.26 -1.89 118.33 119.19 1pvn n VAL 293 Ca -0.04 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1pvn n VAL 293 Cb 0.66 0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 33.96 1pvn n VAL 293 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1pvn s ASP 294 N -0.21 0.38 0.26 -1.34 1.47 -1.26 -4.46 116.67 111.50 1pvn s ASP 294 Ca 0.00 -1.25 -0.04 0.00 1.18 0.00 0.00 52.55 52.44 1pvn s ASP 294 Cb 0.00 0.57 0.36 0.00 -0.34 0.00 0.00 42.92 43.51 1pvn s ASP 294 CO 0.00 -1.14 1.90 1.23 0.68 0.00 0.00 175.17 177.85 1pvn h GLY 295 N 2.27 1.47 0.94 2.12 0.00 -1.90 -2.39 103.07 105.58 1pvn h GLY 295 Ca -0.29 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.56 1pvn h GLY 295 CO 0.40 0.41 0.16 0.83 0.00 0.00 0.00 176.54 178.34 1pvn h GLU 296 N 1.24 0.31 -0.52 4.80 5.08 -1.97 -0.52 114.58 123.02 1pvn h GLU 296 Ca 0.40 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1pvn h GLU 296 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1pvn h GLU 296 CO -0.13 0.21 0.23 0.78 -1.00 0.00 0.00 179.01 179.10 1pvn h GLY 297 N 0.32 0.81 0.80 -3.84 0.00 -1.93 -1.91 103.07 97.32 1pvn h GLY 297 Ca 0.10 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1pvn h GLY 297 CO -0.05 0.40 -0.07 -2.75 0.00 0.00 0.00 176.54 174.07 1pvn h PHE 298 N 0.69 -0.17 -0.66 5.60 3.57 -1.17 -2.35 116.94 122.45 1pvn h PHE 298 Ca 0.18 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1pvn h PHE 298 Cb 0.15 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1pvn h PHE 298 CO -0.00 -0.11 0.31 -0.09 -2.23 0.00 0.00 178.31 176.19 1pvn h ARG 299 N -0.11 0.52 -0.10 1.11 9.65 -0.93 0.11 114.38 124.63 1pvn h ARG 299 Ca 0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pvn h ARG 299 Cb 0.16 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1pvn h ARG 299 CO -0.09 0.35 0.07 -0.92 2.80 0.00 0.00 179.97 182.18 1pvn h TYR 300 N 0.54 0.13 0.00 2.20 3.20 -1.07 -0.89 116.97 121.07 1pvn h TYR 300 Ca 0.33 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.08 1pvn h TYR 300 Cb 0.35 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1pvn h TYR 300 CO -0.12 0.09 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.87 1pvn h LEU 301 N 0.13 0.00 -0.10 2.82 3.38 -1.02 -1.48 115.31 119.04 1pvn h LEU 301 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pvn h LEU 301 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pvn h LEU 301 CO -0.01 0.54 -0.01 0.00 0.09 0.00 0.00 178.44 179.05 1pvn h ALA 302 N 1.46 0.14 0.00 1.53 0.00 -0.56 -2.20 119.26 119.63 1pvn h ALA 302 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1pvn h ALA 302 Cb 0.98 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1pvn h ALA 302 CO 0.07 -0.15 -0.18 -0.44 0.00 0.00 0.00 179.25 178.55 1pvn h ASP 303 N -0.10 0.00 1.04 0.00 3.32 -1.06 -1.60 116.42 118.02 1pvn h ASP 303 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pvn h ASP 303 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1pvn h ASP 303 CO 0.01 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1pvn h ALA 304 N 1.82 1.00 0.00 3.45 0.00 -0.88 -3.47 119.26 121.18 1pvn h ALA 304 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pvn h ALA 304 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pvn h ALA 304 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1pvn n GLY 305 N 0.07 1.20 3.75 0.00 0.00 -0.60 -4.56 105.19 105.05 1pvn n GLY 305 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1pvn n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn n ALA 306 N -1.29 1.93 0.17 4.61 0.00 -0.86 -4.92 120.51 120.15 1pvn n ALA 306 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.80 1pvn n ALA 306 Cb 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 19.45 17.17 1pvn n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pvn h ASP 307 N 2.35 0.00 -4.98 0.00 5.19 -1.45 -3.46 116.42 114.07 1pvn h ASP 307 Ca -0.50 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.86 1pvn h ASP 307 Cb 1.27 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.60 1pvn h ASP 307 CO 0.61 0.11 0.20 0.72 -3.12 0.00 0.00 179.24 177.77 1pvn s PHE 308 N -3.19 -0.63 -0.09 4.55 -0.12 -1.26 0.06 117.98 117.31 1pvn s PHE 308 Ca 0.04 0.96 0.03 0.00 -0.05 0.00 0.00 56.93 57.91 1pvn s PHE 308 Cb 0.07 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1pvn s PHE 308 CO 0.72 -0.65 -0.19 0.42 -0.05 0.00 0.00 175.22 175.47 1pvn s ILE 309 N -1.70 1.71 -0.02 -4.49 1.01 -0.79 -1.35 121.20 115.57 1pvn s ILE 309 Ca -0.08 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 1pvn s ILE 309 Cb -0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1pvn s ILE 309 CO 0.05 0.48 0.56 -0.75 0.00 0.00 0.00 174.94 175.29 1pvn s LYS 310 N 0.54 4.28 -0.09 2.79 2.20 -0.40 -1.11 119.74 127.95 1pvn s LYS 310 Ca -0.16 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1pvn s LYS 310 Cb -0.17 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1pvn s LYS 310 CO 0.06 0.37 -0.05 0.42 -0.36 0.00 0.00 175.35 175.79 1pvn s ILE 311 N -0.17 3.86 0.00 5.43 1.01 0.18 -1.21 121.20 130.30 1pvn s ILE 311 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1pvn s ILE 311 Cb -0.18 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1pvn s ILE 311 CO 0.16 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1pvn n GLY 312 N 2.53 3.91 2.69 6.18 0.00 -0.79 -0.90 105.19 118.81 1pvn n GLY 312 Ca -0.18 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 1pvn n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 313 N 0.00 0.07 0.00 -0.61 1.01 -1.26 -4.67 121.20 115.74 1pvn s ILE 313 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1pvn s ILE 313 Cb 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.08 1pvn s ILE 313 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1pvn n GLY 314 N 5.24 1.45 0.05 6.18 0.00 -1.26 -3.44 105.19 113.40 1pvn n GLY 314 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1pvn n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 315 N -2.00 -1.60 3.71 -0.02 0.00 -1.26 -4.76 105.19 99.26 1pvn n GLY 315 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1pvn n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 316 N 1.40 0.67 0.37 -0.02 0.00 -1.26 -2.69 105.19 103.66 1pvn n GLY 316 Ca 0.06 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1pvn n GLY 316 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pvn h SER 317 N 2.45 0.54 -0.60 1.61 4.64 -1.95 -1.57 113.55 118.66 1pvn h SER 317 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1pvn h SER 317 Cb 1.28 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pvn h SER 317 CO 0.62 0.30 0.00 2.30 -0.87 0.00 0.00 176.83 179.18 1pvn n ILE 318 N -4.51 1.42 -3.53 0.95 -6.64 -1.26 -4.97 119.36 100.82 1pvn n ILE 318 Ca 0.14 -1.14 -0.37 0.00 -1.77 0.00 0.00 62.75 59.61 1pvn n ILE 318 Cb 0.43 0.30 -0.06 0.00 -1.44 0.00 0.00 39.64 38.87 1pvn n ILE 318 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pvn n ILE 320 N 2.81 1.44 -0.25 0.00 -5.35 -0.30 -4.81 119.36 112.90 1pvn n ILE 320 Ca -0.13 -2.00 -0.04 0.00 -0.27 0.00 0.00 62.75 60.31 1pvn n ILE 320 Cb 0.52 0.03 0.07 0.00 -1.74 0.00 0.00 39.64 38.51 1pvn n ILE 320 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1pvn h THR 321 N 2.27 1.13 0.00 7.28 2.02 -1.87 -0.86 112.91 122.87 1pvn h THR 321 Ca -0.03 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1pvn h THR 321 Cb 1.17 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1pvn h THR 321 CO 0.01 0.16 -0.08 0.03 0.37 0.00 0.00 175.52 176.01 1pvn h ARG 322 N 0.89 0.00 0.00 6.66 3.08 -1.86 0.24 114.38 123.38 1pvn h ARG 322 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1pvn h ARG 322 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pvn h ARG 322 CO -0.08 0.08 -1.32 0.39 -1.07 0.00 0.00 179.97 177.96 1pvn n GLU 323 N -3.83 0.62 -0.04 0.04 1.02 -0.85 -2.48 120.64 115.12 1pvn n GLU 323 Ca -0.02 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 1pvn n GLU 323 Cb 0.18 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 29.72 1pvn n GLU 323 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pvn n GLN 324 N -2.59 0.71 -0.00 3.49 1.13 -0.39 -4.67 117.38 115.05 1pvn n GLN 324 Ca -0.03 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.36 1pvn n GLN 324 Cb 0.60 -1.68 -0.06 0.00 0.11 0.00 0.00 30.24 29.21 1pvn n GLN 324 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pvn n LYS 325 N -3.62 0.98 -1.38 -1.09 5.02 0.77 -5.03 118.16 113.82 1pvn n LYS 325 Ca -0.35 -0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 55.85 1pvn n LYS 325 Cb 0.98 -1.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.85 1pvn n LYS 325 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pvn n GLY 326 N 1.90 0.50 3.55 0.72 0.00 -1.04 -5.02 105.19 105.80 1pvn n GLY 326 Ca -0.01 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1pvn n GLY 326 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pvn s ILE 327 N -2.12 3.19 -5.00 -0.61 -4.36 -1.26 -5.01 121.20 106.03 1pvn s ILE 327 Ca 0.00 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1pvn s ILE 327 Cb 0.00 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1pvn s ILE 327 CO 0.00 0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1pvn n GLY 328 N 0.62 0.89 3.57 6.27 0.00 -1.26 -3.97 105.19 111.31 1pvn n GLY 328 Ca -0.14 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 1pvn n GLY 328 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pvn s ARG 329 N -1.64 0.77 0.22 1.61 3.52 -1.22 -5.04 118.95 117.17 1pvn s ARG 329 Ca 0.00 0.28 -0.32 0.00 -0.13 0.00 0.00 55.73 55.56 1pvn s ARG 329 Cb 0.00 0.36 -0.14 0.00 -1.56 0.00 0.00 34.95 33.61 1pvn s ARG 329 CO 0.00 -0.22 1.39 0.41 -0.81 0.00 0.00 175.30 176.07 1pvn n GLY 330 N 1.05 0.71 0.27 8.12 0.00 -1.26 -4.63 105.19 109.44 1pvn n GLY 330 Ca -0.14 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1pvn n GLY 330 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pvn h GLN 331 N 4.33 0.65 -0.14 1.61 5.75 -1.93 -1.49 115.11 123.89 1pvn h GLN 331 Ca -0.45 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1pvn h GLN 331 Cb 1.28 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 1pvn h GLN 331 CO 0.77 0.43 0.04 0.00 -2.65 0.00 0.00 178.83 177.42 1pvn h ALA 332 N 1.40 0.19 -0.96 3.38 0.00 -1.85 -1.24 119.26 120.17 1pvn h ALA 332 Ca 0.33 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1pvn h ALA 332 Cb 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1pvn h ALA 332 CO -0.22 -0.20 0.63 1.15 0.00 0.00 0.00 179.25 180.60 1pvn h THR 333 N 0.05 1.17 -0.11 0.00 2.02 -1.20 -0.66 112.91 114.17 1pvn h THR 333 Ca 0.05 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1pvn h THR 333 Cb 0.22 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1pvn h THR 333 CO -0.00 0.22 0.05 0.00 0.37 0.00 0.00 175.52 176.16 1pvn h ALA 334 N 1.44 0.15 0.01 6.16 0.00 -0.98 -0.97 119.26 125.07 1pvn h ALA 334 Ca 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1pvn h ALA 334 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pvn h ALA 334 CO -0.12 -0.29 -0.00 0.28 0.00 0.00 0.00 179.25 179.12 1pvn h VAL 335 N 0.05 0.99 -0.63 0.00 2.07 -0.78 -0.65 116.25 117.30 1pvn h VAL 335 Ca 0.04 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1pvn h VAL 335 Cb 0.13 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1pvn h VAL 335 CO -0.00 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.33 1pvn h ILE 336 N -0.01 0.96 -0.17 4.57 2.04 -1.05 0.23 117.51 124.07 1pvn h ILE 336 Ca -0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1pvn h ILE 336 Cb 0.01 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1pvn h ILE 336 CO 0.00 0.12 -0.04 -0.78 0.00 0.00 0.00 178.15 177.45 1pvn h ASP 337 N 0.64 0.34 -0.64 1.72 -0.00 -0.98 -2.47 116.42 115.03 1pvn h ASP 337 Ca 0.28 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.03 56.90 1pvn h ASP 337 Cb 0.18 -0.09 -0.03 0.00 -0.00 0.00 0.00 39.33 39.39 1pvn h ASP 337 CO -0.18 0.63 0.23 0.58 -0.00 0.00 0.00 179.24 180.50 1pvn h VAL 338 N 0.05 1.24 -0.90 2.25 2.07 -0.89 -2.57 116.25 117.50 1pvn h VAL 338 Ca 0.04 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1pvn h VAL 338 Cb 0.48 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1pvn h VAL 338 CO 0.02 0.31 0.54 0.58 0.02 0.00 0.00 177.57 179.03 1pvn h VAL 339 N 0.91 1.25 -0.65 2.57 2.07 -0.95 0.16 116.25 121.61 1pvn h VAL 339 Ca 0.21 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1pvn h VAL 339 Cb 0.24 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1pvn h VAL 339 CO -0.01 0.26 0.43 0.00 0.02 0.00 0.00 177.57 178.27 1pvn h ALA 340 N 1.29 0.83 -0.34 1.67 0.00 -1.16 -0.13 119.26 121.42 1pvn h ALA 340 Ca 0.32 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1pvn h ALA 340 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1pvn h ALA 340 CO -0.06 0.26 -0.36 1.49 0.00 0.00 0.00 179.25 180.57 1pvn h GLU 341 N 0.88 0.80 -0.89 0.00 4.57 -1.00 -2.47 114.58 116.47 1pvn h GLU 341 Ca 0.24 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1pvn h GLU 341 Cb -0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1pvn h GLU 341 CO -0.05 1.03 0.57 -0.09 -1.18 0.00 0.00 179.01 179.28 1pvn h ARG 342 N 0.66 1.20 -0.12 1.92 1.12 -0.11 0.37 114.38 119.42 1pvn h ARG 342 Ca 0.06 -0.09 -0.12 0.00 -1.11 0.00 0.00 59.98 58.72 1pvn h ARG 342 Cb 0.92 -0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1pvn h ARG 342 CO 0.08 0.82 -0.44 -0.91 -3.11 0.00 0.00 179.97 176.41 1pvn h ASN 343 N 1.22 0.29 -0.27 -3.80 2.35 -0.89 -0.84 115.58 113.63 1pvn h ASN 343 Ca 0.32 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 1pvn h ASN 343 Cb -0.10 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1pvn h ASN 343 CO -0.07 0.69 -0.34 0.11 -1.65 0.00 0.00 177.43 176.17 1pvn h LYS 344 N 0.22 0.72 -0.96 0.81 1.57 -0.94 -2.43 116.57 115.56 1pvn h LYS 344 Ca 0.02 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1pvn h LYS 344 Cb 0.87 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1pvn h LYS 344 CO 0.07 1.03 0.63 -0.92 -0.57 0.00 0.00 179.45 179.69 1pvn h TYR 345 N 0.46 1.20 -0.37 -1.35 3.20 -0.69 -0.74 116.97 118.68 1pvn h TYR 345 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1pvn h TYR 345 Cb 0.93 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1pvn h TYR 345 CO 0.08 0.75 0.18 0.35 -1.64 0.00 0.00 178.16 177.88 1pvn h PHE 346 N 1.29 0.53 -0.31 -3.82 3.57 -1.05 0.78 116.94 117.92 1pvn h PHE 346 Ca 0.35 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 1pvn h PHE 346 Cb -0.14 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1pvn h PHE 346 CO -0.00 0.44 -0.08 0.93 -2.23 0.00 0.00 178.31 177.36 1pvn h GLU 347 N 0.46 0.52 -0.05 1.11 5.08 -0.93 0.65 114.58 121.41 1pvn h GLU 347 Ca 0.13 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1pvn h GLU 347 Cb 0.10 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1pvn h GLU 347 CO -0.02 0.60 -0.67 0.93 -1.00 0.00 0.00 179.01 178.86 1pvn h GLU 348 N 0.48 0.54 0.00 2.33 5.08 -0.81 -3.39 114.58 118.82 1pvn h GLU 348 Ca 0.09 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1pvn h GLU 348 Cb 0.44 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pvn h GLU 348 CO 0.02 1.14 -1.28 0.25 -1.00 0.00 0.00 179.01 178.15 1pvn n THR 349 N -4.13 0.00 -1.00 1.13 -2.24 0.24 -4.98 114.28 103.30 1pvn n THR 349 Ca -0.09 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1pvn n THR 349 Cb 0.69 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1pvn n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pvn n GLY 350 N 1.58 0.59 3.43 3.38 0.00 0.23 -4.99 105.19 109.40 1pvn n GLY 350 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1pvn n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 351 N -2.38 4.04 -0.30 -0.61 1.01 -1.25 -0.34 121.20 121.37 1pvn s ILE 351 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1pvn s ILE 351 Cb 0.00 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1pvn s ILE 351 CO 0.00 0.39 0.35 -0.47 0.00 0.00 0.00 174.94 175.20 1pvn s TYR 352 N 1.36 3.23 -0.33 3.97 5.04 -0.16 -3.91 117.35 126.55 1pvn s TYR 352 Ca 0.05 0.21 -0.09 0.00 -2.44 0.00 0.00 57.07 54.80 1pvn s TYR 352 Cb -0.15 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.59 1pvn s TYR 352 CO 0.02 -0.30 0.14 0.42 -1.34 0.00 0.00 175.55 174.49 1pvn s ILE 353 N 2.02 4.30 0.47 3.14 1.01 -1.26 -2.09 121.20 128.79 1pvn s ILE 353 Ca 0.13 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 1pvn s ILE 353 Cb -0.16 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 1pvn s ILE 353 CO 0.11 -0.04 1.32 -2.84 0.00 0.00 0.00 174.94 173.49 1pvn s PRO 354 N 1.54 3.59 0.11 2.79 0.02 -1.26 -4.85 135.00 136.94 1pvn s PRO 354 Ca 0.03 2.15 0.09 0.00 0.02 0.00 0.00 61.00 63.29 1pvn s PRO 354 Cb -0.18 -2.50 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 1pvn s PRO 354 CO 0.05 -0.80 -0.24 0.14 -0.33 0.00 0.00 177.00 175.82 1pvn s VAL 355 N -1.32 1.98 -0.13 3.83 -7.23 -1.26 -1.89 120.40 114.38 1pvn s VAL 355 Ca 0.64 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1pvn s VAL 355 Cb -0.38 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 1pvn s VAL 355 CO 0.47 0.04 -0.19 0.00 -0.31 0.00 0.00 175.10 175.11 1pvn s SER 357 N 0.57 6.50 -0.29 0.00 0.15 -0.81 0.51 113.70 120.32 1pvn s SER 357 Ca -0.12 0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 1pvn s SER 357 Cb -0.16 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1pvn s SER 357 CO 0.04 -1.01 0.07 -0.62 1.20 0.00 0.00 173.24 172.92 1pvn s ASP 358 N 2.21 5.06 0.00 5.45 2.15 -0.08 -1.45 116.67 130.01 1pvn s ASP 358 Ca 0.36 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1pvn s ASP 358 Cb -0.11 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1pvn s ASP 358 CO 0.25 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1pvn n GLY 359 N 4.85 0.61 1.97 2.66 0.00 -1.02 -4.53 105.19 109.73 1pvn n GLY 359 Ca -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pvn n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 360 N 0.72 1.36 3.64 -0.02 0.00 -1.09 -4.79 105.19 105.01 1pvn n GLY 360 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pvn n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 361 N -3.01 4.07 -0.14 -0.61 -1.09 -1.26 -4.84 121.20 114.31 1pvn s ILE 361 Ca 0.00 1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 1pvn s ILE 361 Cb 0.00 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.82 1pvn s ILE 361 CO 0.00 -0.33 -0.16 0.52 -1.23 0.00 0.00 174.94 173.74 1pvn n VAL 362 N 5.99 0.77 -4.29 2.92 0.31 -1.26 -4.77 118.33 117.99 1pvn n VAL 362 Ca 0.15 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 64.00 1pvn n VAL 362 Cb 0.46 -1.45 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 1pvn n VAL 362 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pvn s TYR 363 N -2.26 2.66 0.29 3.52 2.02 -1.26 -5.03 117.35 117.29 1pvn s TYR 363 Ca -0.19 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1pvn s TYR 363 Cb 0.07 -1.25 0.59 0.00 -0.40 0.00 0.00 41.96 40.96 1pvn s TYR 363 CO 0.27 0.56 1.82 -0.44 -1.57 0.00 0.00 175.55 176.19 1pvn h ASP 364 N 2.51 0.91 0.51 2.29 3.45 -1.96 0.20 116.42 124.32 1pvn h ASP 364 Ca -0.46 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.06 1pvn h ASP 364 Cb 1.22 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1pvn h ASP 364 CO 0.57 0.46 0.00 0.10 -1.57 0.00 0.00 179.24 178.79 1pvn h TYR 365 N 0.96 0.00 -0.09 4.55 -0.00 -1.95 -0.88 116.97 119.56 1pvn h TYR 365 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.18 1pvn h TYR 365 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 1pvn h TYR 365 CO -0.00 0.00 -0.25 0.45 -0.00 0.00 0.00 178.16 178.36 1pvn h HIS 366 N 0.00 0.16 -0.07 0.10 3.86 -1.35 -1.67 115.15 116.19 1pvn h HIS 366 Ca 0.00 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1pvn h HIS 366 Cb 0.26 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1pvn h HIS 366 CO 0.00 0.40 0.03 0.52 0.86 0.00 0.00 177.93 179.74 1pvn h MET 367 N 0.14 0.11 -0.78 2.45 2.86 -1.23 -0.98 114.93 117.49 1pvn h MET 367 Ca 0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1pvn h MET 367 Cb 0.52 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1pvn h MET 367 CO 0.04 0.20 0.51 1.15 1.06 0.00 0.00 176.91 179.86 1pvn h THR 368 N -0.02 1.15 -0.22 2.22 2.02 -1.49 -1.70 112.91 114.87 1pvn h THR 368 Ca 0.02 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1pvn h THR 368 Cb 0.13 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1pvn h THR 368 CO -0.00 0.18 0.11 -0.07 0.37 0.00 0.00 175.52 176.11 1pvn h LEU 369 N 1.01 0.29 -0.45 2.58 3.38 -1.10 0.57 115.31 121.58 1pvn h LEU 369 Ca 0.30 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1pvn h LEU 369 Cb -0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1pvn h LEU 369 CO -0.09 0.33 0.24 0.00 0.09 0.00 0.00 178.44 179.01 1pvn h ALA 370 N 0.97 0.57 -0.32 1.53 0.00 -0.83 0.13 119.26 121.31 1pvn h ALA 370 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1pvn h ALA 370 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pvn h ALA 370 CO -0.01 -0.10 0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1pvn h LEU 371 N 0.48 0.47 -1.44 0.00 3.38 -1.16 -2.18 115.31 114.86 1pvn h LEU 371 Ca 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pvn h LEU 371 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1pvn h LEU 371 CO -0.12 0.57 0.39 0.00 0.09 0.00 0.00 178.44 179.37 1pvn h ALA 372 N 0.92 1.62 0.00 1.53 0.00 -0.44 -0.78 119.26 122.11 1pvn h ALA 372 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pvn h ALA 372 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pvn h ALA 372 CO -0.00 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.26 1pvn n MET 373 N -4.45 0.05 0.00 0.00 2.81 -0.00 -4.43 117.12 111.09 1pvn n MET 373 Ca 0.06 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1pvn n MET 373 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1pvn n MET 373 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pvn n GLY 374 N 0.23 1.47 3.76 3.03 0.00 -0.30 -4.56 105.19 108.81 1pvn n GLY 374 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1pvn n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 375 N -1.57 3.56 0.01 4.61 0.00 -0.84 -4.81 121.76 122.71 1pvn s ALA 375 Ca 0.00 1.34 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 1pvn s ALA 375 Cb 0.00 -3.53 -0.30 0.00 0.00 0.00 0.00 23.12 19.29 1pvn s ALA 375 CO 0.00 -0.75 0.89 -0.44 0.00 0.00 0.00 175.76 175.46 1pvn h ASP 376 N 3.96 0.55 -5.33 0.00 3.32 -1.48 -3.39 116.42 114.05 1pvn h ASP 376 Ca -0.48 -0.70 -0.13 0.00 0.02 0.00 0.00 57.03 55.74 1pvn h ASP 376 Cb 1.22 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.47 1pvn h ASP 376 CO 0.70 1.58 -0.37 0.72 -1.72 0.00 0.00 179.24 180.15 1pvn s PHE 377 N -2.61 0.57 -0.05 4.55 -0.71 -1.19 -4.79 117.98 113.75 1pvn s PHE 377 Ca -0.10 -0.91 0.05 0.00 -1.04 0.00 0.00 56.93 54.93 1pvn s PHE 377 Cb 0.06 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 1pvn s PHE 377 CO 0.88 -0.74 -0.21 0.42 -1.34 0.00 0.00 175.22 174.23 1pvn s ILE 378 N -4.02 1.77 -0.19 -4.49 1.01 0.27 -1.93 121.20 113.62 1pvn s ILE 378 Ca 0.23 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1pvn s ILE 378 Cb 0.04 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1pvn s ILE 378 CO 0.04 0.50 0.07 -0.32 0.00 0.00 0.00 174.94 175.23 1pvn s MET 379 N -0.04 3.98 0.02 2.79 -2.45 -0.53 -0.84 119.30 122.24 1pvn s MET 379 Ca -0.05 -0.34 0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1pvn s MET 379 Cb -0.13 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.70 1pvn s MET 379 CO 0.03 0.25 -0.13 -0.51 1.05 0.00 0.00 175.02 175.72 1pvn s LEU 380 N 0.43 2.11 -0.00 4.11 1.02 -0.47 -2.45 118.68 123.43 1pvn s LEU 380 Ca 0.03 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 53.82 1pvn s LEU 380 Cb -0.12 -0.59 -0.00 0.00 0.02 0.00 0.00 46.19 45.50 1pvn s LEU 380 CO 0.00 0.07 -0.01 0.61 0.02 0.00 0.00 176.35 177.05 1pvn n GLY 381 N 2.24 -0.20 0.26 -3.19 0.00 -1.26 -1.02 105.19 102.02 1pvn n GLY 381 Ca -0.16 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1pvn n GLY 381 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pvn h ARG 382 N -0.02 0.18 -0.68 1.61 2.43 -1.97 -0.39 114.38 115.54 1pvn h ARG 382 Ca 0.00 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1pvn h ARG 382 Cb 0.02 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.42 1pvn h ARG 382 CO 0.00 0.12 0.14 -0.92 -1.51 0.00 0.00 179.97 177.80 1pvn h TYR 383 N 0.18 0.22 0.00 2.20 3.20 -1.86 -2.53 116.97 118.38 1pvn h TYR 383 Ca 0.38 0.04 -0.22 0.00 3.14 0.00 0.00 58.73 62.07 1pvn h TYR 383 Cb 0.64 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1pvn h TYR 383 CO -0.33 -0.08 -1.23 0.74 -1.64 0.00 0.00 178.16 175.63 1pvn h PHE 384 N 0.25 0.00 -0.03 -3.82 -1.00 -1.56 -3.33 116.94 107.45 1pvn h PHE 384 Ca 0.37 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.16 1pvn h PHE 384 Cb 0.61 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 1pvn h PHE 384 CO -0.27 0.91 0.03 0.00 -1.61 0.00 0.00 178.31 177.37 1pvn h ALA 385 N 1.09 1.59 0.00 2.45 0.00 -0.67 -1.41 119.26 122.32 1pvn h ALA 385 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pvn h ALA 385 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1pvn h ALA 385 CO 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1pvn h ARG 386 N 0.00 0.00 -6.98 0.00 3.08 -1.64 -3.44 114.38 105.40 1pvn h ARG 386 Ca 0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.57 1pvn h ARG 386 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 1pvn h ARG 386 CO -0.00 0.00 0.18 -0.06 -1.07 0.00 0.00 179.97 179.02 1pvn s PHE 387 N -3.24 3.52 0.35 3.04 0.08 -0.53 -1.12 117.98 120.08 1pvn s PHE 387 Ca 0.07 1.06 0.10 0.00 0.12 0.00 0.00 56.93 58.28 1pvn s PHE 387 Cb 0.10 -2.48 0.85 0.00 -0.57 0.00 0.00 43.02 40.93 1pvn s PHE 387 CO 0.49 -0.26 1.83 1.49 -0.10 0.00 0.00 175.22 178.67 1pvn h GLU 388 N 0.71 0.64 0.00 0.44 4.57 -0.79 -1.49 114.58 118.67 1pvn h GLU 388 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1pvn h GLU 388 Cb 1.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1pvn h GLU 388 CO 0.63 0.42 0.00 0.39 -1.18 0.00 0.00 179.01 179.27 1pvn n GLU 389 N -4.62 0.15 -2.09 1.92 4.71 -1.26 -4.80 120.64 114.64 1pvn n GLU 389 Ca 0.20 0.32 -0.39 0.00 -0.01 0.00 0.00 57.16 57.28 1pvn n GLU 389 Cb 0.57 -1.75 -0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1pvn n GLU 389 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1pvn s SER 390 N -3.92 6.15 0.00 1.62 1.04 -0.56 -3.24 113.70 114.79 1pvn s SER 390 Ca 0.07 2.55 0.07 0.00 0.48 0.00 0.00 55.95 59.11 1pvn s SER 390 Cb 0.11 -2.63 0.39 0.00 0.10 0.00 0.00 66.02 63.99 1pvn s SER 390 CO 0.41 -0.95 0.84 -0.81 0.98 0.00 0.00 173.24 173.71 1pvn n PRO 391 N -0.19 0.48 -2.85 4.02 -0.04 -1.26 -4.84 135.00 130.32 1pvn n PRO 391 Ca 0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1pvn n PRO 391 Cb 0.45 -1.21 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1pvn n PRO 391 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pvn s THR 392 N -2.00 3.18 0.33 0.52 -4.23 -1.26 -5.05 115.64 107.13 1pvn s THR 392 Ca 0.10 -0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 1pvn s THR 392 Cb 0.05 -3.16 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 1pvn s THR 392 CO 0.08 -0.10 0.80 -0.13 -0.54 0.00 0.00 174.62 174.73 1pvn s ARG 393 N -4.60 4.16 -0.07 3.99 0.52 -1.26 -4.84 118.95 116.85 1pvn s ARG 393 Ca 0.54 0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 56.43 1pvn s ARG 393 Cb -0.10 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 1pvn s ARG 393 CO 0.37 0.18 0.53 0.15 0.02 0.00 0.00 175.30 176.54 1pvn s LYS 394 N -2.73 4.31 0.00 3.54 1.02 -1.26 -2.32 119.74 122.31 1pvn s LYS 394 Ca 0.53 0.58 0.02 0.00 0.02 0.00 0.00 55.97 57.12 1pvn s LYS 394 Cb -0.12 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1pvn s LYS 394 CO 0.18 0.25 -0.07 0.08 -0.92 0.00 0.00 175.35 174.87 1pvn s VAL 395 N 0.27 0.56 -0.25 3.17 1.01 0.10 -4.94 120.40 120.33 1pvn s VAL 395 Ca 0.29 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1pvn s VAL 395 Cb -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1pvn s VAL 395 CO 0.13 0.06 0.48 -0.89 0.00 0.00 0.00 175.10 174.88 1pvn s THR 396 N -0.37 5.11 -0.28 3.92 2.01 -1.26 0.75 115.64 125.51 1pvn s THR 396 Ca 0.01 0.81 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1pvn s THR 396 Cb -0.04 -3.80 0.08 0.00 0.01 0.00 0.00 72.50 68.75 1pvn s THR 396 CO -0.00 0.13 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.41 1pvn s ILE 397 N 2.07 1.83 -1.08 1.82 1.09 0.01 -4.79 121.20 122.16 1pvn s ILE 397 Ca 0.20 -1.66 -0.01 0.00 -1.10 0.00 0.00 60.65 58.08 1pvn s ILE 397 Cb -0.16 -2.15 -0.01 0.00 -1.06 0.00 0.00 42.46 39.08 1pvn s ILE 397 CO 0.09 -0.28 0.90 0.59 -0.10 0.00 0.00 174.94 176.14 1pvn n ASN 398 N 4.51 -2.44 0.00 3.58 3.02 -1.26 -2.62 115.26 120.05 1pvn n ASN 398 Ca -0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1pvn n ASN 398 Cb 0.43 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 1pvn n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pvn n GLY 399 N -1.13 0.56 3.38 7.41 0.00 -1.26 -4.99 105.19 109.16 1pvn n GLY 399 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1pvn n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pvn s SER 400 N -2.48 4.03 -0.14 1.61 0.01 -1.08 -5.08 113.70 110.57 1pvn s SER 400 Ca 0.00 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 1pvn s SER 400 Cb 0.00 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1pvn s SER 400 CO 0.00 0.19 1.15 -0.69 0.41 0.00 0.00 173.24 174.30 1pvn s VAL 401 N 0.23 4.44 0.42 3.43 1.01 -1.26 -0.81 120.40 127.86 1pvn s VAL 401 Ca -0.08 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1pvn s VAL 401 Cb -0.15 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1pvn s VAL 401 CO 0.05 -0.08 0.03 -0.04 0.00 0.00 0.00 175.10 175.06 1pvn s MET 402 N 2.81 1.96 0.05 2.72 1.00 0.23 -1.66 119.30 126.40 1pvn s MET 402 Ca 0.52 -2.17 0.05 0.00 0.00 0.00 0.00 55.69 54.09 1pvn s MET 402 Cb -0.21 -1.30 -0.02 0.00 0.00 0.00 0.00 34.83 33.30 1pvn s MET 402 CO 0.15 -0.23 -0.14 0.15 0.00 0.00 0.00 175.02 174.95 1pvn s LYS 403 N -3.80 0.89 0.38 2.03 1.02 0.26 0.02 119.74 120.54 1pvn s LYS 403 Ca 0.25 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 1pvn s LYS 403 Cb 0.06 -0.89 -0.09 0.00 -0.52 0.00 0.00 37.83 36.39 1pvn s LYS 403 CO 0.12 0.21 1.11 -1.21 -0.92 0.00 0.00 175.35 174.67 1pvn s GLU 404 N -1.29 4.19 -0.23 1.68 2.02 -0.98 -1.32 118.70 122.77 1pvn s GLU 404 Ca 0.00 1.70 -0.09 0.00 0.02 0.00 0.00 54.97 56.61 1pvn s GLU 404 Cb -0.08 -2.71 0.10 0.00 0.10 0.00 0.00 34.13 31.54 1pvn s GLU 404 CO 0.01 -0.16 0.50 -0.47 0.02 0.00 0.00 175.26 175.16 1pvn s TYR 405 N -1.47 -0.96 0.06 1.61 5.04 -0.41 -4.78 117.35 116.44 1pvn s TYR 405 Ca 0.55 1.78 0.03 0.00 -2.44 0.00 0.00 57.07 56.99 1pvn s TYR 405 Cb -0.27 0.47 -0.03 0.00 0.35 0.00 0.00 41.96 42.48 1pvn s TYR 405 CO 0.35 -0.53 -0.09 1.67 -1.34 0.00 0.00 175.55 175.61 1pvn s TRP 406 N 2.52 0.84 0.55 4.97 -2.14 -1.26 -0.44 118.94 123.99 1pvn s TRP 406 Ca -0.04 -0.58 -0.16 0.00 2.66 0.00 0.00 56.10 57.98 1pvn s TRP 406 Cb -0.11 -0.49 -0.06 0.00 -3.10 0.00 0.00 33.47 29.71 1pvn s TRP 406 CO -0.15 -0.06 1.01 0.20 -2.66 0.00 0.00 176.95 175.29 1pvn s GLY 407 N -1.95 2.04 0.46 3.67 0.00 -0.36 -4.70 107.32 106.48 1pvn s GLY 407 Ca -0.03 0.22 0.31 0.00 0.00 0.00 0.00 44.72 45.22 1pvn s GLY 407 CO -0.00 0.51 1.92 0.83 0.00 0.00 0.00 173.10 176.36 1pvn h GLU 408 N 0.63 0.00 -0.53 2.90 4.39 -1.93 -2.29 114.58 117.74 1pvn h GLU 408 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1pvn h GLU 408 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1pvn h GLU 408 CO 0.60 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1pvn n GLY 409 N -0.08 1.56 3.91 -3.84 0.00 -1.26 -1.95 105.19 103.53 1pvn n GLY 409 Ca 0.01 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1pvn n GLY 409 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvn s SER 410 N -1.06 6.30 0.58 1.61 1.04 -0.86 -1.21 113.70 120.10 1pvn s SER 410 Ca 0.37 0.80 0.31 0.00 0.48 0.00 0.00 55.95 57.91 1pvn s SER 410 Cb 0.20 -2.19 1.77 0.00 0.10 0.00 0.00 66.02 65.90 1pvn s SER 410 CO 0.26 -0.46 2.21 0.77 0.98 0.00 0.00 173.24 177.00 1pvn h SER 411 N 0.55 0.00 -0.40 7.02 4.64 -1.88 -0.78 113.55 122.70 1pvn h SER 411 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1pvn h SER 411 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pvn h SER 411 CO 0.62 0.04 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.48 1pvn h ARG 412 N 0.00 0.75 0.18 4.77 2.43 -1.93 -3.29 114.38 117.29 1pvn h ARG 412 Ca -0.00 -0.26 -0.31 0.00 -0.81 0.00 0.00 59.98 58.60 1pvn h ARG 412 Cb 0.11 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1pvn h ARG 412 CO 0.00 0.86 -1.49 0.00 -1.51 0.00 0.00 179.97 177.83 1pvn h ALA 413 N 0.86 0.05 -4.79 2.80 0.00 -1.62 -3.48 119.26 113.07 1pvn h ALA 413 Ca 0.11 -1.00 -0.40 0.00 0.00 0.00 0.00 54.91 53.61 1pvn h ALA 413 Cb 0.56 0.35 0.05 0.00 0.00 0.00 0.00 17.79 18.74 1pvn h ALA 413 CO 0.03 0.81 -0.61 0.54 0.00 0.00 0.00 179.25 180.02 1pvn n ARG 414 N -3.77 -5.01 -2.27 0.00 1.74 -0.35 -4.88 116.66 102.12 1pvn n ARG 414 Ca -0.22 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 1pvn n ARG 414 Cb 1.01 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 1pvn n ARG 414 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pvn n ASN 415 N -2.55 4.60 0.22 0.55 2.85 -0.82 -4.74 115.26 115.37 1pvn n ASN 415 Ca -0.08 -2.93 0.07 0.00 -0.11 0.00 0.00 54.58 51.53 1pvn n ASN 415 Cb 0.60 -1.65 0.51 0.00 1.24 0.00 0.00 39.78 40.48 1pvn n ASN 415 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1pvn h TRP 416 N 6.65 0.00 -0.42 1.20 5.08 -1.90 -2.93 115.95 123.63 1pvn h TRP 416 Ca 0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.44 1pvn h TRP 416 Cb 0.75 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.89 1pvn h TRP 416 CO 1.37 0.25 0.27 1.96 -1.28 0.00 0.00 178.44 181.02 1pvn h GLN 417 N 0.00 0.56 0.00 0.12 7.50 -1.94 -1.31 115.11 120.04 1pvn h GLN 417 Ca -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1pvn h GLN 417 Cb 0.56 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 1pvn h GLN 417 CO 0.03 0.38 -0.07 -0.09 -1.50 0.00 0.00 178.83 177.58 1pvn h ARG 418 N 0.58 0.00 -0.12 1.46 2.43 -1.68 -2.52 114.38 114.52 1pvn h ARG 418 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1pvn h ARG 418 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1pvn h ARG 418 CO -0.03 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 1pvn n TYR 419 N -3.66 0.24 -1.76 2.20 4.02 -0.67 -1.21 117.16 116.31 1pvn n TYR 419 Ca -0.02 -0.66 -0.42 0.00 -0.01 0.00 0.00 57.90 56.79 1pvn n TYR 419 Cb 0.18 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 1pvn n TYR 419 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1pvn s ASP 420 N -1.52 6.42 -0.18 7.72 3.68 -0.58 -4.91 116.67 127.29 1pvn s ASP 420 Ca 0.18 2.80 0.14 0.00 2.13 0.00 0.00 52.55 57.81 1pvn s ASP 420 Cb 0.13 -2.59 0.43 0.00 -1.45 0.00 0.00 42.92 39.45 1pvn s ASP 420 CO 0.06 -0.96 1.20 0.18 0.13 0.00 0.00 175.17 175.78 1pvn n LEU 421 N 4.35 2.63 0.00 -1.34 4.77 -1.26 -4.93 117.00 121.22 1pvn n LEU 421 Ca 0.16 -3.58 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1pvn n LEU 421 Cb 0.36 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pvn n LEU 421 CO 0.64 1.30 0.00 0.61 -1.33 0.00 0.00 177.39 178.61 1pvn n GLY 422 N -0.68 0.49 0.00 -0.72 0.00 -1.26 -5.03 105.19 97.99 1pvn n GLY 422 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pvn n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 423 N -2.99 1.52 3.77 -0.02 0.00 -1.26 -5.05 105.19 101.15 1pvn n GLY 423 Ca 0.00 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1pvn n GLY 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvn s LYS 424 N 2.52 3.60 -0.93 1.61 1.02 -1.26 -4.88 119.74 121.41 1pvn s LYS 424 Ca 0.00 1.86 -0.06 0.00 0.02 0.00 0.00 55.97 57.79 1pvn s LYS 424 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 1pvn s LYS 424 CO 0.00 -0.71 2.42 1.04 -0.92 0.00 0.00 175.35 177.18 1pvn n GLN 425 N -0.66 2.37 -3.53 1.68 6.02 -1.26 -4.75 117.38 117.24 1pvn n GLN 425 Ca 0.08 -1.51 -0.11 0.00 -0.01 0.00 0.00 57.00 55.45 1pvn n GLN 425 Cb 0.48 -2.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.28 1pvn n GLN 425 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1pvn s LYS 426 N 2.79 1.28 -0.34 -1.09 -2.85 -1.26 -5.01 119.74 113.25 1pvn s LYS 426 Ca 0.48 -0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1pvn s LYS 426 Cb 0.14 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.48 1pvn s LYS 426 CO -0.03 -0.55 1.17 -1.17 0.10 0.00 0.00 175.35 174.86 1pvn s LEU 427 N -2.79 3.85 0.33 2.77 2.96 -1.26 -4.89 118.68 119.65 1pvn s LEU 427 Ca 0.03 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1pvn s LEU 427 Cb -0.01 -3.54 0.56 0.00 0.50 0.00 0.00 46.19 43.70 1pvn s LEU 427 CO -0.10 -1.03 1.94 0.28 -1.32 0.00 0.00 176.35 176.12 1pvn h SER 428 N 8.74 0.71 -4.57 3.68 0.02 -1.96 -3.46 113.55 116.72 1pvn h SER 428 Ca -0.23 -0.07 0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1pvn h SER 428 Cb 1.07 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 63.27 1pvn h SER 428 CO 1.05 0.61 0.54 0.72 -1.14 0.00 0.00 176.83 178.60 1pvn s PHE 429 N -5.47 -0.32 0.33 3.45 -0.12 -1.26 -5.16 117.98 109.43 1pvn s PHE 429 Ca -0.10 0.22 -0.28 0.00 -0.05 0.00 0.00 56.93 56.72 1pvn s PHE 429 Cb 0.17 0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 42.99 1pvn s PHE 429 CO 0.78 -0.49 1.15 -1.21 -0.05 0.00 0.00 175.22 175.40 1pvn s GLU 430 N -2.93 4.39 0.00 1.99 2.02 -1.26 -4.93 118.70 117.98 1pvn s GLU 430 Ca 0.05 1.87 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1pvn s GLU 430 Cb -0.01 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1pvn s GLU 430 CO -0.08 -0.03 0.69 0.39 0.02 0.00 0.00 175.26 176.25 1pvn n GLU 431 N 0.72 1.28 -3.90 1.61 1.02 -0.35 -4.93 120.64 116.09 1pvn n GLU 431 Ca 0.01 -0.92 -0.09 0.00 -0.02 0.00 0.00 57.16 56.14 1pvn n GLU 431 Cb 0.45 -0.76 -0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1pvn n GLU 431 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1pvn s GLY 432 N -0.45 0.30 0.36 0.62 0.00 -1.09 -1.15 107.32 105.90 1pvn s GLY 432 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 44.72 44.08 1pvn s GLY 432 CO 0.00 -0.77 -0.07 -1.34 0.00 0.00 0.00 173.10 170.92 1pvn s VAL 433 N -3.92 2.22 -0.17 1.40 -7.23 -0.40 -3.84 120.40 108.46 1pvn s VAL 433 Ca 0.12 -2.15 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1pvn s VAL 433 Cb 0.03 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1pvn s VAL 433 CO -0.04 -0.16 0.11 -0.62 -0.31 0.00 0.00 175.10 174.08 1pvn s ASP 434 N -3.64 6.09 0.10 4.85 2.15 -1.26 -1.23 116.67 123.74 1pvn s ASP 434 Ca 0.33 0.25 -0.02 0.00 0.43 0.00 0.00 52.55 53.54 1pvn s ASP 434 Cb 0.04 -2.04 0.01 0.00 -0.30 0.00 0.00 42.92 40.63 1pvn s ASP 434 CO 0.17 0.24 0.16 -1.54 -0.17 0.00 0.00 175.17 174.03 1pvn n SER 435 N 3.14 -0.46 -4.13 -0.34 3.41 0.42 -4.99 113.62 110.67 1pvn n SER 435 Ca -0.17 -1.51 -0.22 0.00 -0.26 0.00 0.00 58.87 56.72 1pvn n SER 435 Cb 0.53 0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 65.16 1pvn n SER 435 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pvn s TYR 436 N -5.24 1.28 0.10 7.33 1.51 -1.26 -1.29 117.35 119.77 1pvn s TYR 436 Ca 0.07 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1pvn s TYR 436 Cb -0.01 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1pvn s TYR 436 CO 0.05 0.00 -0.17 0.14 -1.11 0.00 0.00 175.55 174.47 1pvn s VAL 437 N -0.53 1.41 0.32 0.71 -7.23 -0.44 -4.93 120.40 109.71 1pvn s VAL 437 Ca 0.04 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1pvn s VAL 437 Cb -0.06 -1.40 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 1pvn s VAL 437 CO 0.00 -0.23 1.45 -2.16 -0.31 0.00 0.00 175.10 173.85 1pvn s PRO 438 N -2.11 4.21 0.04 4.82 0.04 -1.26 -0.58 135.00 140.17 1pvn s PRO 438 Ca 0.05 2.41 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 1pvn s PRO 438 Cb -0.08 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1pvn s PRO 438 CO 0.03 -0.43 1.31 -0.47 0.04 0.00 0.00 177.00 177.48 1pvn s TYR 439 N -0.65 3.17 -0.99 0.56 5.04 -0.66 -4.61 117.35 119.21 1pvn s TYR 439 Ca 0.55 1.05 0.09 0.00 -2.44 0.00 0.00 57.07 56.32 1pvn s TYR 439 Cb -0.44 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.33 1pvn s TYR 439 CO 0.53 -1.94 0.68 0.00 -1.34 0.00 0.00 175.55 173.48 1pvn n ALA 440 N 4.55 2.67 0.00 3.97 0.00 -0.28 -4.98 120.51 126.45 1pvn n ALA 440 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1pvn n ALA 440 Cb 0.44 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1pvn n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pvn n GLY 441 N 0.74 0.05 3.78 0.00 0.00 -1.25 -4.89 105.19 103.61 1pvn n GLY 441 Ca 0.05 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1pvn n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvn s LYS 442 N 0.00 4.58 0.13 1.61 1.02 -1.26 -0.06 119.74 125.77 1pvn s LYS 442 Ca 0.00 1.28 -0.19 0.00 0.02 0.00 0.00 55.97 57.08 1pvn s LYS 442 Cb 0.00 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1pvn s LYS 442 CO 0.00 0.36 1.74 1.25 -0.92 0.00 0.00 175.35 177.78 1pvn h LEU 443 N 3.47 0.02 -0.40 3.17 6.46 -1.94 -2.70 115.31 123.38 1pvn h LEU 443 Ca -0.47 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.41 1pvn h LEU 443 Cb 1.19 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.08 1pvn h LEU 443 CO 0.66 0.04 -0.24 0.50 -0.62 0.00 0.00 178.44 178.78 1pvn h LYS 444 N 0.14 -0.16 -0.65 1.25 3.64 -1.94 0.18 116.57 119.03 1pvn h LYS 444 Ca 0.11 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1pvn h LYS 444 Cb 0.10 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1pvn h LYS 444 CO -0.14 -0.11 0.28 -0.44 -2.27 0.00 0.00 179.45 176.77 1pvn h ASP 445 N -0.17 0.88 -0.17 4.20 3.32 -1.95 -1.58 116.42 120.96 1pvn h ASP 445 Ca 0.19 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1pvn h ASP 445 Cb 0.47 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1pvn h ASP 445 CO -0.51 0.80 -0.13 0.78 -1.72 0.00 0.00 179.24 178.46 1pvn h ASN 446 N 0.91 0.41 -0.73 6.45 2.35 -1.10 -2.16 115.58 121.71 1pvn h ASN 446 Ca 0.22 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 1pvn h ASN 446 Cb 0.18 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1pvn h ASN 446 CO -0.02 0.78 0.40 0.58 -1.65 0.00 0.00 177.43 177.52 1pvn h VAL 447 N 0.04 1.22 -0.23 2.81 2.07 -0.62 -0.15 116.25 121.39 1pvn h VAL 447 Ca 0.03 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1pvn h VAL 447 Cb 0.65 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1pvn h VAL 447 CO 0.03 0.25 0.11 -0.08 0.02 0.00 0.00 177.57 177.91 1pvn h GLU 448 N 1.04 0.33 -0.51 1.57 4.81 -1.22 -1.22 114.58 119.39 1pvn h GLU 448 Ca 0.26 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1pvn h GLU 448 Cb 0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1pvn h GLU 448 CO -0.04 0.34 0.24 0.00 -0.73 0.00 0.00 179.01 178.81 1pvn h ALA 449 N 0.98 0.66 0.19 2.92 0.00 -0.89 -1.67 119.26 121.44 1pvn h ALA 449 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pvn h ALA 449 Cb 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1pvn h ALA 449 CO -0.01 0.22 -0.09 0.77 0.00 0.00 0.00 179.25 180.14 1pvn h SER 450 N 0.68 -0.22 0.51 0.00 0.02 -0.89 -2.91 113.55 110.74 1pvn h SER 450 Ca 0.17 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1pvn h SER 450 Cb 0.13 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1pvn h SER 450 CO -0.02 -0.11 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.35 1pvn h LEU 451 N -0.30 0.00 -0.92 5.07 3.38 -1.18 -1.75 115.31 119.61 1pvn h LEU 451 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1pvn h LEU 451 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1pvn h LEU 451 CO 0.04 0.13 -0.25 0.78 0.09 0.00 0.00 178.44 179.23 1pvn h ASN 452 N 0.00 0.50 -0.23 -0.43 2.35 -1.11 0.90 115.58 117.57 1pvn h ASN 452 Ca -0.00 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.44 1pvn h ASN 452 Cb 0.42 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1pvn h ASN 452 CO 0.02 0.75 -0.42 0.11 -1.65 0.00 0.00 177.43 176.24 1pvn h LYS 453 N 0.44 0.68 -0.10 0.81 1.57 -1.22 -1.87 116.57 116.88 1pvn h LYS 453 Ca 0.06 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1pvn h LYS 453 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1pvn h LYS 453 CO 0.05 1.05 0.07 0.28 -0.57 0.00 0.00 179.45 180.33 1pvn h VAL 454 N 0.39 1.04 -0.80 0.50 2.07 -1.06 -1.22 116.25 117.17 1pvn h VAL 454 Ca 0.01 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1pvn h VAL 454 Cb 1.02 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1pvn h VAL 454 CO 0.09 0.03 0.45 0.11 0.02 0.00 0.00 177.57 178.28 1pvn h LYS 455 N 0.13 1.11 -0.39 1.57 1.57 -0.84 -0.51 116.57 119.21 1pvn h LYS 455 Ca 0.04 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1pvn h LYS 455 Cb -0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1pvn h LYS 455 CO -0.01 0.81 0.20 0.77 -0.57 0.00 0.00 179.45 180.66 1pvn h SER 456 N 1.11 0.49 -0.56 0.86 0.02 -1.07 -1.75 113.55 112.65 1pvn h SER 456 Ca 0.28 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1pvn h SER 456 Cb 0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1pvn h SER 456 CO -0.05 0.45 0.17 0.74 -1.14 0.00 0.00 176.83 177.00 1pvn h THR 457 N 0.49 1.24 -0.95 -2.27 2.02 -0.92 -1.78 112.91 110.74 1pvn h THR 457 Ca 0.13 -0.81 0.10 0.00 0.77 0.00 0.00 66.41 66.60 1pvn h THR 457 Cb 0.08 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 1pvn h THR 457 CO -0.02 0.30 0.61 0.24 0.37 0.00 0.00 175.52 177.02 1pvn h MET 458 N 0.78 0.96 -0.39 6.66 2.07 -0.80 0.09 114.93 124.30 1pvn h MET 458 Ca 0.18 -0.06 -0.10 0.00 -2.07 0.00 0.00 59.70 57.66 1pvn h MET 458 Cb 0.29 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 1pvn h MET 458 CO -0.00 0.63 -0.16 0.00 1.07 0.00 0.00 176.91 178.45 1pvn h ASN 460 N 0.64 0.47 -0.02 0.00 4.21 -0.20 -1.23 115.58 119.45 1pvn h ASN 460 Ca 0.10 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1pvn h ASN 460 Cb 0.62 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1pvn h ASN 460 CO 0.04 0.46 0.00 0.00 -1.29 0.00 0.00 177.43 176.64 1pvn n GLY 462 N 1.09 0.33 3.35 0.00 0.00 -0.46 -4.36 105.19 105.14 1pvn n GLY 462 Ca 0.20 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1pvn n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 463 N -2.27 2.41 -1.35 4.61 0.00 0.35 -4.94 121.76 120.57 1pvn s ALA 463 Ca 0.00 -0.99 0.12 0.00 0.00 0.00 0.00 51.96 51.09 1pvn s ALA 463 Cb 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.30 1pvn s ALA 463 CO 0.00 0.41 0.81 1.28 0.00 0.00 0.00 175.76 178.27 1pvn n LEU 464 N 2.91 1.77 -3.95 0.00 4.77 -1.26 -3.85 117.00 117.39 1pvn n LEU 464 Ca -0.18 -0.93 -0.09 0.00 -0.03 0.00 0.00 56.01 54.79 1pvn n LEU 464 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1pvn n LEU 464 CO 0.27 0.34 -0.14 0.42 -1.33 0.00 0.00 177.39 176.95 1pvn s THR 465 N -1.15 0.13 0.16 -5.08 -4.23 -1.26 -0.22 115.64 103.99 1pvn s THR 465 Ca 0.12 -1.41 -0.13 0.00 -1.18 0.00 0.00 61.69 59.09 1pvn s THR 465 Cb 0.10 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.39 1pvn s THR 465 CO 0.19 -0.59 1.66 0.40 -0.54 0.00 0.00 174.62 175.75 1pvn h ILE 466 N 2.77 1.24 -0.56 2.99 2.04 -1.83 -1.78 117.51 122.38 1pvn h ILE 466 Ca -0.33 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1pvn h ILE 466 Cb 1.20 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1pvn h ILE 466 CO 0.56 0.31 0.31 -0.65 0.00 0.00 0.00 178.15 178.68 1pvn h PRO 467 N 0.74 0.76 -0.51 2.37 0.11 -1.93 -0.72 132.00 132.81 1pvn h PRO 467 Ca 0.17 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1pvn h PRO 467 Cb 0.33 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1pvn h PRO 467 CO 0.00 0.56 0.22 1.96 -0.21 0.00 0.00 178.00 180.52 1pvn h GLN 468 N 0.77 0.76 -0.42 1.05 4.20 -1.88 -1.91 115.11 117.68 1pvn h GLN 468 Ca 0.20 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1pvn h GLN 468 Cb 0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1pvn h GLN 468 CO -0.03 0.66 0.24 1.25 -0.67 0.00 0.00 178.83 180.27 1pvn h LEU 469 N 0.68 0.52 -1.98 1.46 5.85 -0.57 0.10 115.31 121.37 1pvn h LEU 469 Ca 0.17 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1pvn h LEU 469 Cb 0.17 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1pvn h LEU 469 CO -0.02 0.45 -0.10 1.56 -0.34 0.00 0.00 178.44 179.99 1pvn h GLN 470 N 0.54 0.00 0.13 1.25 4.20 -0.96 0.13 115.11 120.40 1pvn h GLN 470 Ca 0.15 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.56 1pvn h GLN 470 Cb 0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1pvn h GLN 470 CO -0.03 0.10 -1.50 1.03 -0.67 0.00 0.00 178.83 177.77 1pvn h SER 471 N 0.00 0.42 1.39 1.46 0.87 -0.75 -3.40 113.55 113.55 1pvn h SER 471 Ca -0.00 -0.87 -0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1pvn h SER 471 Cb 0.22 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1pvn h SER 471 CO 0.01 1.66 -0.61 0.11 -0.53 0.00 0.00 176.83 177.47 1pvn h LYS 472 N -0.22 0.00 -6.59 2.24 1.57 -0.61 -3.48 116.57 109.48 1pvn h LYS 472 Ca -0.32 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 1pvn h LYS 472 Cb 1.83 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.24 1pvn h LYS 472 CO 0.08 0.01 0.41 0.00 -0.57 0.00 0.00 179.45 179.38 1pvn n ALA 473 N -2.15 0.65 -4.07 3.86 0.00 0.42 -4.92 120.51 114.30 1pvn n ALA 473 Ca 0.01 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1pvn n ALA 473 Cb 0.55 -2.18 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 1pvn n ALA 473 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pvn s LYS 474 N -1.24 2.42 -0.15 0.00 1.02 -1.26 -5.05 119.74 115.47 1pvn s LYS 474 Ca 0.61 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 55.39 1pvn s LYS 474 Cb -0.65 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1pvn s LYS 474 CO 0.57 -0.49 -0.18 0.42 -0.92 0.00 0.00 175.35 174.76 1pvn s ILE 475 N 1.15 2.44 0.14 2.17 1.01 -1.26 -0.69 121.20 126.15 1pvn s ILE 475 Ca -0.06 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 59.86 1pvn s ILE 475 Cb -0.18 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1pvn s ILE 475 CO -0.07 0.53 -0.26 0.28 0.00 0.00 0.00 174.94 175.42 1pvn s THR 476 N 0.86 2.31 0.51 2.92 -1.32 -0.73 -4.99 115.64 115.20 1pvn s THR 476 Ca -0.05 -1.78 -0.12 0.00 -1.21 0.00 0.00 61.69 58.53 1pvn s THR 476 Cb -0.15 -2.03 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 1pvn s THR 476 CO -0.02 0.06 0.91 -0.76 -2.21 0.00 0.00 174.62 172.61 1pvn s LEU 477 N -2.15 3.59 -0.06 9.08 1.43 -1.26 -1.94 118.68 127.37 1pvn s LEU 477 Ca 0.15 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1pvn s LEU 477 Cb -0.10 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.84 1pvn s LEU 477 CO 0.07 -0.60 -0.15 -0.69 0.23 0.00 0.00 176.35 175.20 1pvn s VAL 478 N -2.70 1.32 0.77 -1.59 1.01 0.13 -4.89 120.40 114.45 1pvn s VAL 478 Ca 0.54 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1pvn s VAL 478 Cb -0.10 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1pvn s VAL 478 CO 0.38 0.39 1.10 -0.94 0.00 0.00 0.00 175.10 176.04 1pvn s SER 479 N 0.34 4.39 0.35 3.32 1.04 -1.26 -4.83 113.70 117.04 1pvn s SER 479 Ca -0.10 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.27 1pvn s SER 479 Cb -0.14 -2.53 0.65 0.00 0.10 0.00 0.00 66.02 64.10 1pvn s SER 479 CO 0.03 -2.12 1.97 0.77 0.98 0.00 0.00 173.24 174.88 1pvn h SER 480 N -1.04 0.62 0.11 7.02 4.64 -1.99 -1.07 113.55 121.83 1pvn h SER 480 Ca -0.44 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1pvn h SER 480 Cb 1.24 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1pvn h SER 480 CO 0.50 0.52 -0.43 0.58 -0.87 0.00 0.00 176.83 177.14 1pvn h VAL 481 N 0.70 1.31 -0.08 0.95 2.07 -2.00 -2.35 116.25 116.85 1pvn h VAL 481 Ca 0.18 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 1pvn h VAL 481 Cb 0.06 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1pvn h VAL 481 CO -0.03 0.49 -0.41 0.28 0.02 0.00 0.00 177.57 177.93 1pvn h SER 482 N 0.33 0.17 -0.55 0.57 0.02 -1.67 -2.43 113.55 110.00 1pvn h SER 482 Ca 0.03 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1pvn h SER 482 Cb 0.89 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1pvn h SER 482 CO 0.07 0.57 0.21 0.40 -1.14 0.00 0.00 176.83 176.94 1pvn h ILE 483 N 0.14 1.22 -0.65 3.27 1.08 -0.73 -1.39 117.51 120.47 1pvn h ILE 483 Ca 0.01 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1pvn h ILE 483 Cb 0.78 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 1pvn h ILE 483 CO 0.06 0.27 0.42 0.58 -0.69 0.00 0.00 178.15 178.79 1pvn h VAL 484 N 0.75 1.14 0.00 1.67 2.07 -1.11 -1.83 116.25 118.93 1pvn h VAL 484 Ca 0.18 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1pvn h VAL 484 Cb 0.22 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1pvn h VAL 484 CO -0.01 0.15 -0.16 -0.08 0.02 0.00 0.00 177.57 177.50 1pvn h GLU 485 N 0.85 0.00 0.00 1.57 4.81 -1.04 -2.86 114.58 117.91 1pvn h GLU 485 Ca 0.24 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1pvn h GLU 485 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1pvn h GLU 485 CO -0.07 0.16 -0.28 0.78 -0.73 0.00 0.00 179.01 178.87 1pvn h GLY 486 N 0.65 0.00 -1.34 1.92 0.00 -0.37 -3.44 103.07 100.49 1pvn h GLY 486 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 1pvn h GLY 486 CO 0.02 0.00 0.03 0.61 0.00 0.00 0.00 176.54 177.20 1pvn n GLY 487 N -0.29 1.27 3.77 4.60 0.00 -1.08 -5.04 105.19 108.42 1pvn n GLY 487 Ca -0.01 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1pvn n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 488 N -2.90 3.24 -0.07 4.61 0.00 -1.26 -5.01 121.76 120.37 1pvn s ALA 488 Ca 0.58 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 1pvn s ALA 488 Cb -0.04 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1pvn s ALA 488 CO 0.38 -0.82 0.41 -3.38 0.00 0.00 0.00 175.76 172.34 1pvn s HIS 489 N -1.27 -0.35 -1.67 0.00 -0.00 -1.26 -4.92 115.29 105.81 1pvn s HIS 489 Ca 0.57 0.70 0.00 0.00 -0.00 0.00 0.00 55.06 56.33 1pvn s HIS 489 Cb -0.38 0.17 0.00 0.00 -0.00 0.00 0.00 32.58 32.37 1pvn s HIS 489 CO 0.48 -0.37 0.00 -0.25 -0.00 0.00 0.00 174.74 174.60 1pvn n ASP 490 N 1.75 -5.34 -3.89 7.38 8.00 -1.26 -4.98 116.55 118.20 1pvn n ASP 490 Ca -0.18 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 1pvn n ASP 490 Cb 0.56 -4.42 -0.09 0.00 -0.02 0.00 0.00 41.12 37.16 1pvn n ASP 490 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pvn s VAL 491 N -2.87 0.12 -0.41 2.53 -7.23 -1.26 -5.12 120.40 106.16 1pvn s VAL 491 Ca 0.00 -1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 1pvn s VAL 491 Cb 0.00 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1pvn s VAL 491 CO 0.00 -0.55 0.36 -0.63 -0.31 0.00 0.00 175.10 173.97 1pvn s ILE 492 N -2.53 5.18 -0.07 -0.62 1.01 -1.26 -5.03 121.20 117.88 1pvn s ILE 492 Ca -0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1pvn s ILE 492 Cb -0.01 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1pvn s ILE 492 CO -0.04 -0.34 1.59 -0.69 0.00 0.00 0.00 174.94 175.46 1pvn s VAL 493 N 1.90 3.68 -2.04 2.92 1.01 -1.26 -5.21 120.40 121.41 1pvn s VAL 493 Ca 0.08 0.84 0.32 0.00 0.00 0.00 0.00 61.98 63.22 1pvn s VAL 493 Cb -0.18 -3.54 0.88 0.00 0.00 0.00 0.00 36.38 33.55 1pvn s VAL 493 CO 0.12 -0.07 2.20 1.17 0.00 0.00 0.00 175.10 178.51