#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 0.41 0.00 2.20 -1.26 -5.13 119.74 118.91 1pvn s LYS 3 Ca 0.00 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 1pvn s LYS 3 Cb 0.00 -2.67 -0.06 0.00 -1.51 0.00 0.00 37.83 33.58 1pvn s LYS 3 CO 0.00 0.59 0.02 0.71 -0.36 0.00 0.00 175.35 176.32 1pvn s TYR 4 N -0.61 2.26 0.20 4.03 1.51 -1.26 -5.16 117.35 118.32 1pvn s TYR 4 Ca 0.09 -0.81 0.10 0.00 -1.01 0.00 0.00 57.07 55.45 1pvn s TYR 4 Cb -0.12 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1pvn s TYR 4 CO 0.02 0.29 -0.20 0.71 -1.11 0.00 0.00 175.55 175.26 1pvn s TYR 5 N -2.87 2.07 0.13 2.71 1.51 -1.26 -5.05 117.35 114.59 1pvn s TYR 5 Ca 0.29 -0.41 0.18 0.00 -1.01 0.00 0.00 57.07 56.11 1pvn s TYR 5 Cb 0.08 -0.99 0.57 0.00 -0.11 0.00 0.00 41.96 41.50 1pvn s TYR 5 CO 0.15 0.47 1.68 -0.91 -1.11 0.00 0.00 175.55 175.83 1pvn h ASN 6 N 2.96 0.00 -4.53 2.29 2.35 -2.09 -3.45 115.58 113.11 1pvn h ASN 6 Ca -0.43 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.02 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 0.42 -0.74 -1.61 -1.65 0.00 0.00 177.43 174.38 1pvn s GLU 7 N -3.51 0.75 0.66 0.81 0.41 -1.26 -5.15 118.70 111.41 1pvn s GLU 7 Ca 0.00 -1.03 -0.11 0.00 -0.41 0.00 0.00 54.97 53.42 1pvn s GLU 7 Cb 0.11 -0.47 -0.02 0.00 -1.78 0.00 0.00 34.13 31.98 1pvn s GLU 7 CO 0.70 0.07 1.05 -1.25 -0.49 0.00 0.00 175.26 175.34 1pvn s PRO 8 N -2.41 3.27 0.49 0.39 0.04 -1.26 -5.04 135.00 130.49 1pvn s PRO 8 Ca 0.01 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.69 1pvn s PRO 8 Cb -0.05 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1pvn s PRO 8 CO -0.00 -0.82 0.94 0.00 0.04 0.00 0.00 177.00 177.16 1pvn s HIS 10 N -2.58 1.63 0.29 0.00 3.76 -1.26 -4.80 115.29 112.32 1pvn s HIS 10 Ca 0.57 -1.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.44 1pvn s HIS 10 Cb -0.10 -0.98 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1pvn s HIS 10 CO 0.32 -0.22 0.22 -0.08 -0.85 0.00 0.00 174.74 174.13 1pvn s THR 11 N -3.61 0.02 0.18 1.30 -1.32 -1.26 -2.20 115.64 108.76 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 68.78 1pvn s THR 11 CO 0.13 0.00 1.15 0.49 -2.21 0.00 0.00 174.62 174.18 1pvn n PHE 12 N -0.52 0.07 0.23 9.09 0.99 -1.26 -1.14 117.46 124.93 1pvn n PHE 12 Ca 0.05 0.91 0.14 0.00 -0.00 0.00 0.00 57.45 58.55 1pvn n PHE 12 Cb 0.64 -0.81 0.73 0.00 -1.00 0.00 0.00 39.48 39.03 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 -0.06 4.37 -0.26 -1.98 -1.62 115.58 116.04 1pvn h ASN 13 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1pvn h ASN 13 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1pvn h ASN 13 CO -0.74 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.01 1pvn n GLU 14 N -2.50 1.71 -4.43 0.81 1.02 -0.29 -4.94 120.64 112.01 1pvn n GLU 14 Ca -0.02 -1.04 -0.25 0.00 -0.02 0.00 0.00 57.16 55.82 1pvn n GLU 14 Cb 0.15 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.94 2.34 0.02 -0.32 1.51 -0.61 0.27 117.35 118.62 1pvn s TYR 15 Ca 0.36 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1pvn s TYR 15 Cb 0.20 -1.09 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1pvn s TYR 15 CO 0.32 0.61 0.12 -0.51 -1.11 0.00 0.00 175.55 174.97 1pvn s LEU 16 N -3.11 1.66 -0.12 -1.29 1.43 -0.78 -4.95 118.68 111.52 1pvn s LEU 16 Ca 0.26 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1pvn s LEU 16 Cb -0.07 0.65 -0.05 0.00 0.03 0.00 0.00 46.19 46.75 1pvn s LEU 16 CO 0.13 -0.44 0.22 -0.76 0.23 0.00 0.00 176.35 175.73 1pvn s LEU 17 N -1.73 4.35 -0.34 1.79 1.43 -1.26 -1.82 118.68 121.09 1pvn s LEU 17 Ca -0.10 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1pvn s LEU 17 Cb -0.05 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1pvn s LEU 17 CO -0.01 0.29 0.24 -0.63 0.23 0.00 0.00 176.35 176.47 1pvn s ILE 18 N -0.51 5.21 0.41 -0.59 1.01 0.06 -5.00 121.20 121.78 1pvn s ILE 18 Ca 0.16 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1pvn s ILE 18 Cb -0.13 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1pvn s ILE 18 CO 0.05 -0.04 1.00 -2.65 0.00 0.00 0.00 174.94 173.31 1pvn n PRO 19 N 5.10 1.35 -0.35 2.79 -0.02 -1.26 -4.30 135.00 138.31 1pvn n PRO 19 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1pvn n PRO 19 Cb 0.49 -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 1.19 4.03 3.71 -1.23 0.00 -1.15 -4.98 105.19 106.76 1pvn n GLY 20 Ca 0.09 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 4.36 -0.26 0.99 2.96 -1.26 -4.65 118.68 120.81 1pvn s LEU 21 Ca 0.00 1.99 -0.09 0.00 -0.22 0.00 0.00 54.13 55.81 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 -0.49 0.13 -0.44 -1.32 0.00 0.00 176.35 174.23 1pvn s SER 22 N 1.15 5.59 0.62 3.68 0.01 -1.26 -3.84 113.70 119.65 1pvn s SER 22 Ca 0.58 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.71 1pvn s SER 22 Cb -0.29 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 63.96 1pvn s SER 22 CO 0.28 -0.04 0.90 0.42 0.41 0.00 0.00 173.24 175.21 1pvn s THR 23 N 1.66 2.73 0.59 1.44 -4.23 -1.26 -4.94 115.64 111.63 1pvn s THR 23 Ca 0.07 -0.37 0.40 0.00 -1.18 0.00 0.00 61.69 60.60 1pvn s THR 23 Cb -0.15 -3.10 0.42 0.00 1.34 0.00 0.00 72.50 71.00 1pvn s THR 23 CO 0.07 -0.09 2.30 -0.37 -0.54 0.00 0.00 174.62 175.99 1pvn h VAL 24 N -0.25 0.13 -0.01 2.29 -1.51 -2.02 -0.35 116.25 114.54 1pvn h VAL 24 Ca -0.44 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1pvn h VAL 24 Cb 1.30 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1pvn h VAL 24 CO 0.57 0.01 -0.08 -0.90 -1.23 0.00 0.00 177.57 175.94 1pvn n ASP 25 N -3.26 0.92 -3.77 4.19 5.68 -1.26 -4.52 116.55 114.53 1pvn n ASP 25 Ca -0.03 -1.06 -0.42 0.00 -0.50 0.00 0.00 54.79 52.78 1pvn n ASP 25 Cb 0.10 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 2.31 4.01 0.39 0.00 1.01 -1.26 -4.83 121.20 122.83 1pvn s ILE 27 Ca 0.45 -0.34 0.18 0.00 0.00 0.00 0.00 60.65 60.94 1pvn s ILE 27 Cb 0.13 -2.71 0.39 0.00 0.01 0.00 0.00 42.46 40.28 1pvn s ILE 27 CO -0.06 0.55 1.75 -0.65 0.00 0.00 0.00 174.94 176.54 1pvn h PRO 28 N 5.86 0.38 0.00 2.79 0.11 -1.91 0.17 132.00 139.40 1pvn h PRO 28 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pvn h PRO 28 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pvn h PRO 28 CO 0.58 0.25 -0.01 0.66 -0.21 0.00 0.00 178.00 179.27 1pvn h SER 29 N 0.39 0.00 0.13 -2.05 4.64 -1.95 -2.34 113.55 112.37 1pvn h SER 29 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1pvn h SER 29 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1pvn h SER 29 CO -0.33 0.01 -0.19 0.59 -0.87 0.00 0.00 176.83 176.04 1pvn n ASN 30 N -3.11 1.32 -4.71 4.97 3.02 0.59 -4.92 115.26 112.42 1pvn n ASN 30 Ca -0.00 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.97 1pvn n ASN 30 Cb 0.24 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -2.34 3.97 -0.31 2.41 1.01 -0.88 -4.92 120.40 119.34 1pvn s VAL 31 Ca 0.28 1.41 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 1pvn s VAL 31 Cb 0.20 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1pvn s VAL 31 CO 0.46 0.10 0.14 0.21 0.00 0.00 0.00 175.10 176.02 1pvn s ASN 32 N 1.10 5.47 -0.10 3.32 2.47 0.84 -4.98 114.94 123.06 1pvn s ASN 32 Ca 0.59 -0.60 0.13 0.00 0.42 0.00 0.00 52.86 53.41 1pvn s ASN 32 Cb -0.30 -1.98 0.56 0.00 -1.45 0.00 0.00 41.25 38.09 1pvn s ASN 32 CO 0.29 -0.21 1.43 0.18 -3.72 0.00 0.00 177.10 175.07 1pvn n LEU 33 N 4.96 3.88 -4.75 3.21 4.32 -1.26 -3.83 117.00 123.53 1pvn n LEU 33 Ca -0.14 -1.96 -0.37 0.00 -0.02 0.00 0.00 56.01 53.53 1pvn n LEU 33 Cb 0.49 -0.52 0.04 0.00 -1.62 0.00 0.00 43.42 41.80 1pvn n LEU 33 CO 0.33 0.63 0.88 -0.44 -1.22 0.00 0.00 177.39 177.57 1pvn s SER 34 N -0.76 5.08 -0.13 -1.43 0.01 -1.19 -3.65 113.70 111.63 1pvn s SER 34 Ca 0.39 2.50 -0.23 0.00 1.31 0.00 0.00 55.95 59.92 1pvn s SER 34 Cb 0.26 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.94 1pvn s SER 34 CO 0.18 -1.67 0.57 0.28 0.41 0.00 0.00 173.24 173.00 1pvn s THR 35 N -1.50 0.01 0.33 1.44 -1.32 -0.84 -4.65 115.64 109.11 1pvn s THR 35 Ca 0.78 -0.09 -0.27 0.00 -1.21 0.00 0.00 61.69 60.90 1pvn s THR 35 Cb -0.34 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 69.72 1pvn s THR 35 CO 0.37 -0.05 1.10 -2.16 -2.21 0.00 0.00 174.62 171.67 1pvn s PRO 36 N -0.49 4.40 -0.20 7.08 0.04 -1.26 -0.79 135.00 143.77 1pvn s PRO 36 Ca -0.06 1.75 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1pvn s PRO 36 Cb -0.03 -2.92 -0.19 0.00 0.04 0.00 0.00 34.50 31.40 1pvn s PRO 36 CO 0.05 0.01 -0.05 -0.11 0.04 0.00 0.00 177.00 176.93 1pvn n LEU 37 N 0.64 1.30 -4.31 -3.56 7.94 0.16 -4.79 117.00 114.37 1pvn n LEU 37 Ca 0.02 -0.05 -0.22 0.00 -1.11 0.00 0.00 56.01 54.64 1pvn n LEU 37 Cb 0.46 -0.10 -0.12 0.00 0.53 0.00 0.00 43.42 44.19 1pvn n LEU 37 CO 0.51 0.63 -0.49 0.68 -1.11 0.00 0.00 177.39 177.61 1pvn s VAL 38 N -2.44 1.76 0.54 1.96 -7.23 -1.25 -4.59 120.40 109.14 1pvn s VAL 38 Ca -0.18 -1.78 -0.21 0.00 -1.81 0.00 0.00 61.98 58.00 1pvn s VAL 38 Cb 0.06 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 1pvn s VAL 38 CO 0.64 -0.23 1.02 2.29 -0.31 0.00 0.00 175.10 178.51 1pvn n LYS 39 N 0.58 1.14 -4.04 4.82 2.85 0.12 -4.58 118.16 119.04 1pvn n LYS 39 Ca -0.16 0.43 -0.10 0.00 -1.05 0.00 0.00 58.31 57.43 1pvn n LYS 39 Cb 0.56 -2.18 -0.06 0.00 -0.65 0.00 0.00 35.03 32.70 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 -1.42 0.57 0.25 5.58 -0.12 -0.91 -4.74 117.98 117.19 1pvn s PHE 40 Ca 0.71 -0.90 -0.15 0.00 -0.05 0.00 0.00 56.93 56.55 1pvn s PHE 40 Cb -0.46 0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 41.88 1pvn s PHE 40 CO 0.51 -0.94 0.66 -0.65 -0.05 0.00 0.00 175.22 174.74 1pvn s GLN 41 N -3.96 4.00 0.24 1.99 -1.52 -1.26 -0.94 119.66 118.21 1pvn s GLN 41 Ca 0.26 0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 53.96 1pvn s GLN 41 Cb 0.01 -2.66 -0.15 0.00 -0.22 0.00 0.00 33.01 30.00 1pvn s GLN 41 CO 0.11 0.30 1.11 1.17 -0.25 0.00 0.00 175.29 177.72 1pvn n LYS 42 N 0.11 1.34 0.00 2.91 4.81 0.56 -1.01 118.16 126.88 1pvn n LYS 42 Ca 0.00 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1pvn n LYS 42 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 1.63 2.68 3.99 3.14 0.00 -1.26 -5.01 105.19 110.35 1pvn n GLY 43 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1pvn n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pvn s GLN 44 N -0.36 2.23 0.12 1.61 -0.21 -0.18 -5.13 119.66 117.74 1pvn s GLN 44 Ca 0.00 -1.87 0.06 0.00 0.02 0.00 0.00 55.36 53.57 1pvn s GLN 44 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 1pvn s GLN 44 CO 0.00 -0.84 -0.01 -0.65 -2.12 0.00 0.00 175.29 171.67 1pvn s GLN 45 N -4.54 2.46 0.56 2.91 -0.21 -1.26 -4.84 119.66 114.73 1pvn s GLN 45 Ca 0.49 -0.94 -0.19 0.00 0.02 0.00 0.00 55.36 54.74 1pvn s GLN 45 Cb -0.04 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1pvn s GLN 45 CO 0.31 0.51 1.16 0.45 -2.12 0.00 0.00 175.29 175.60 1pvn s SER 46 N -2.50 5.56 0.52 5.90 0.15 -1.26 -4.86 113.70 117.21 1pvn s SER 46 Ca 0.26 2.25 0.33 0.00 0.70 0.00 0.00 55.95 59.48 1pvn s SER 46 Cb -0.11 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 62.92 1pvn s SER 46 CO 0.18 -1.33 1.95 -0.33 1.20 0.00 0.00 173.24 174.91 1pvn h GLU 47 N 1.12 0.00 -3.82 5.44 5.08 -1.85 -3.40 114.58 117.14 1pvn h GLU 47 Ca -0.50 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.37 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 0.56 0.00 -0.78 0.42 -1.00 0.00 0.00 179.01 178.22 1pvn s ILE 48 N -3.63 0.63 -0.09 3.13 1.01 -1.26 -5.08 121.20 115.91 1pvn s ILE 48 Ca 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1pvn s ILE 48 Cb 0.09 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1pvn s ILE 48 CO 0.53 0.14 -0.21 0.20 0.00 0.00 0.00 174.94 175.61 1pvn s ASN 49 N 1.85 2.73 0.50 3.58 0.01 -1.26 -0.67 114.94 121.67 1pvn s ASN 49 Ca 0.03 -0.49 -0.06 0.00 -0.71 0.00 0.00 52.86 51.63 1pvn s ASN 49 Cb -0.14 -1.25 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 1pvn s ASN 49 CO -0.07 0.12 0.82 -0.76 -1.51 0.00 0.00 177.10 175.70 1pvn s LEU 50 N 0.43 3.57 0.13 0.60 1.43 0.02 -4.88 118.68 119.98 1pvn s LEU 50 Ca -0.18 0.96 0.19 0.00 -1.03 0.00 0.00 54.13 54.07 1pvn s LEU 50 Cb -0.17 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 42.06 1pvn s LEU 50 CO 0.08 -0.64 0.93 0.29 0.23 0.00 0.00 176.35 177.24 1pvn n LYS 51 N -2.33 0.61 -4.14 1.70 5.02 0.19 -1.99 118.16 117.23 1pvn n LYS 51 Ca 0.01 0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 56.33 1pvn n LYS 51 Cb 0.55 -1.82 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 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 -3.13 0.58 -0.02 -0.18 -4.36 -1.04 -3.19 121.20 109.86 1pvn s ILE 52 Ca -0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1pvn s ILE 52 Cb 0.09 -0.58 0.02 0.00 1.25 0.00 0.00 42.46 43.24 1pvn s ILE 52 CO 0.80 -0.14 1.49 -0.81 0.24 0.00 0.00 174.94 176.52 1pvn n PRO 53 N 2.06 1.05 -5.00 0.37 -0.04 -1.24 -4.42 135.00 127.79 1pvn n PRO 53 Ca -0.18 -0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 62.84 1pvn n PRO 53 Cb 0.56 -1.04 -0.15 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 2.43 0.01 1.53 1.43 -1.26 -0.42 118.68 122.27 1pvn s LEU 54 Ca 0.02 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1pvn s LEU 54 Cb 0.02 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1pvn s LEU 54 CO 0.00 0.20 -0.09 0.68 0.23 0.00 0.00 176.35 177.38 1pvn s VAL 55 N 0.11 0.69 0.18 -1.59 -7.23 -0.00 -3.26 120.40 109.30 1pvn s VAL 55 Ca -0.09 -0.56 -0.19 0.00 -1.81 0.00 0.00 61.98 59.33 1pvn s VAL 55 Cb -0.15 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 1pvn s VAL 55 CO 0.06 0.06 0.67 -0.94 -0.31 0.00 0.00 175.10 174.63 1pvn s SER 56 N -0.56 7.04 0.66 4.85 1.04 -1.04 -1.40 113.70 124.29 1pvn s SER 56 Ca 0.01 1.35 -0.17 0.00 0.48 0.00 0.00 55.95 57.61 1pvn s SER 56 Cb -0.05 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 1pvn s SER 56 CO 0.00 0.10 1.16 0.00 0.98 0.00 0.00 173.24 175.49 1pvn n ALA 57 N 0.99 0.65 -2.02 5.32 0.00 -0.17 -3.33 120.51 121.95 1pvn n ALA 57 Ca -0.05 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1pvn n ALA 57 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 -2.04 3.66 -4.07 0.00 5.41 -1.26 -3.81 119.36 117.25 1pvn n ILE 58 Ca 0.15 -3.43 -0.13 0.00 1.00 0.00 0.00 62.75 60.34 1pvn n ILE 58 Cb 0.48 -2.52 -0.12 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 3.23 0.43 0.25 0.38 -1.94 -1.26 -4.73 119.30 115.66 1pvn s MET 59 Ca 0.48 -0.50 -0.04 0.00 -1.71 0.00 0.00 55.69 53.92 1pvn s MET 59 Cb 0.11 -0.26 0.35 0.00 2.01 0.00 0.00 34.83 37.04 1pvn s MET 59 CO -0.04 0.05 1.88 1.96 -0.01 0.00 0.00 175.02 178.87 1pvn h GLN 60 N 5.12 1.12 -0.28 2.03 4.20 -1.90 -1.60 115.11 123.81 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 0.44 0.74 0.00 -1.13 -0.67 0.00 0.00 178.83 178.22 1pvn n SER 61 N -4.51 1.20 0.06 1.46 3.41 -1.26 -4.57 113.62 109.41 1pvn n SER 61 Ca 0.14 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1pvn n SER 61 Cb 0.14 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.09 0.29 -2.94 -3.33 0.31 -0.67 -4.49 118.33 107.59 1pvn n VAL 62 Ca 0.07 0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 64.05 1pvn n VAL 62 Cb 0.20 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 -3.08 5.25 -2.15 4.52 7.64 -0.78 -4.30 113.62 120.72 1pvn n SER 63 Ca 0.00 -3.00 -0.01 0.00 1.01 0.00 0.00 58.87 56.87 1pvn n SER 63 Cb 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 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 3.85 2.33 0.14 0.23 0.00 -1.26 -3.29 105.19 107.19 1pvn n GLY 64 Ca 0.36 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.41 -0.87 1.61 5.08 -1.92 -1.93 114.58 116.95 1pvn h GLU 65 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1pvn h GLU 65 Cb 0.07 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1pvn h GLU 65 CO 0.02 0.30 0.49 0.87 -1.00 0.00 0.00 179.01 179.70 1pvn h LYS 66 N 0.39 1.20 -0.12 2.33 1.57 -1.96 -2.07 116.57 117.91 1pvn h LYS 66 Ca 0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pvn h LYS 66 Cb -0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1pvn h LYS 66 CO -0.02 0.87 0.04 1.98 -0.57 0.00 0.00 179.45 181.75 1pvn h MET 67 N 1.21 0.18 -0.74 3.15 4.05 -1.51 -1.65 114.93 119.62 1pvn h MET 67 Ca 0.31 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.76 1pvn h MET 67 Cb 0.00 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.72 1pvn h MET 67 CO -0.05 0.31 0.42 0.00 0.23 0.00 0.00 176.91 177.82 1pvn h ALA 68 N 0.86 1.01 -0.07 0.39 0.00 -1.08 0.36 119.26 120.73 1pvn h ALA 68 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pvn h ALA 68 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pvn h ALA 68 CO -0.00 0.08 -0.04 0.82 0.00 0.00 0.00 179.25 180.12 1pvn h ILE 69 N 0.74 1.33 -0.58 0.00 2.04 -1.32 -1.50 117.51 118.22 1pvn h ILE 69 Ca 0.34 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1pvn h ILE 69 Cb 0.24 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1pvn h ILE 69 CO -0.20 0.29 0.35 0.00 0.00 0.00 0.00 178.15 178.59 1pvn h ALA 70 N 0.62 0.74 -0.24 1.87 0.00 -1.00 -1.15 119.26 120.10 1pvn h ALA 70 Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1pvn h ALA 70 Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pvn h ALA 70 CO 0.01 0.22 -0.61 1.25 0.00 0.00 0.00 179.25 180.13 1pvn h LEU 71 N 0.79 0.91 -0.91 0.00 5.85 -0.99 -2.91 115.31 118.05 1pvn h LEU 71 Ca 0.21 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1pvn h LEU 71 Cb -0.02 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1pvn h LEU 71 CO -0.04 1.30 0.57 0.00 -0.34 0.00 0.00 178.44 179.93 1pvn h ALA 72 N 0.71 1.16 -0.41 1.25 0.00 -1.11 -1.08 119.26 119.78 1pvn h ALA 72 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1pvn h ALA 72 Cb 1.21 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1pvn h ALA 72 CO 0.13 0.60 0.27 0.00 0.00 0.00 0.00 179.25 180.25 1pvn h ARG 73 N 1.25 0.47 -0.01 0.00 3.08 -1.10 -1.50 114.38 116.58 1pvn h ARG 73 Ca 0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 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 -0.06 0.31 -0.08 0.39 -1.07 0.00 0.00 179.97 179.46 1pvn n GLU 74 N -4.48 1.11 0.00 0.04 -0.58 -0.66 -4.92 120.64 111.15 1pvn n GLU 74 Ca 0.04 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 1pvn n GLU 74 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.20 0.71 0.00 0.62 0.00 -0.56 -4.63 105.19 102.53 1pvn n GLY 75 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.11 2.81 3.42 -0.02 0.00 -0.50 -0.63 105.19 109.16 1pvn n GLY 76 Ca 0.00 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 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 2.20 0.01 0.08 -0.61 2.07 -1.20 -3.98 121.20 119.77 1pvn s ILE 77 Ca 0.00 -0.10 0.05 0.00 -1.41 0.00 0.00 60.65 59.19 1pvn s ILE 77 Cb 0.00 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 1pvn s ILE 77 CO 0.00 -0.06 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.50 1pvn s SER 78 N -0.47 4.83 -0.50 4.50 0.01 -1.26 -2.51 113.70 118.30 1pvn s SER 78 Ca -0.06 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1pvn s SER 78 Cb -0.03 -1.10 0.13 0.00 0.21 0.00 0.00 66.02 65.23 1pvn s SER 78 CO 0.04 0.19 0.35 -0.36 0.41 0.00 0.00 173.24 173.87 1pvn s PHE 79 N -1.24 3.49 0.04 2.43 0.40 -1.21 -0.25 117.98 121.65 1pvn s PHE 79 Ca 0.23 -2.20 -0.37 0.00 -0.60 0.00 0.00 56.93 53.99 1pvn s PHE 79 Cb -0.11 -3.39 -0.17 0.00 0.51 0.00 0.00 43.02 39.86 1pvn s PHE 79 CO 0.16 -0.96 1.37 -0.89 0.70 0.00 0.00 175.22 175.60 1pvn n ILE 80 N 4.50 0.03 -1.75 0.64 2.08 -0.50 -4.16 119.36 120.20 1pvn n ILE 80 Ca -0.02 -0.01 -0.40 0.00 0.56 0.00 0.00 62.75 62.88 1pvn n ILE 80 Cb 0.41 -0.82 0.02 0.00 -0.75 0.00 0.00 39.64 38.49 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 2.78 2.59 1.00 1.39 1.16 -1.21 -1.43 117.46 123.75 1pvn n PHE 81 Ca 0.19 0.45 0.12 0.00 -1.87 0.00 0.00 57.45 56.34 1pvn n PHE 81 Cb 0.18 -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 0.62 0.60 2.43 4.97 0.00 -1.26 -4.61 105.19 107.94 1pvn n GLY 82 Ca 0.06 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 0.79 7.76 -3.72 1.61 3.41 -1.26 -4.74 113.62 117.47 1pvn n SER 83 Ca 0.12 -2.73 -0.04 0.00 -0.26 0.00 0.00 58.87 55.96 1pvn n SER 83 Cb 0.55 -1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 62.95 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 1.69 1.39 0.68 4.33 -2.07 -1.26 -4.97 119.66 119.45 1pvn s GLN 84 Ca 0.63 -0.79 -0.17 0.00 -1.82 0.00 0.00 55.36 53.21 1pvn s GLN 84 Cb 0.17 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 32.56 1pvn s GLN 84 CO -0.07 -0.64 1.27 -1.54 -1.32 0.00 0.00 175.29 172.99 1pvn s SER 85 N -2.98 4.44 0.20 12.60 1.04 -1.26 -4.82 113.70 122.93 1pvn s SER 85 Ca 0.13 2.54 -0.11 0.00 0.48 0.00 0.00 55.95 58.99 1pvn s SER 85 Cb -0.03 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.67 1pvn s SER 85 CO 0.04 -2.11 1.82 0.40 0.98 0.00 0.00 173.24 174.37 1pvn h ILE 86 N 0.26 1.02 -0.19 -1.02 2.04 -1.99 -1.52 117.51 116.12 1pvn h ILE 86 Ca -0.50 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1pvn h ILE 86 Cb 1.32 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pvn h ILE 86 CO 0.52 0.13 0.05 -0.33 0.00 0.00 0.00 178.15 178.52 1pvn h GLU 87 N 0.70 0.13 -0.34 2.37 3.07 -1.99 0.17 114.58 118.69 1pvn h GLU 87 Ca 0.27 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1pvn h GLU 87 Cb 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1pvn h GLU 87 CO -0.14 0.09 -0.20 0.66 -1.40 0.00 0.00 179.01 178.02 1pvn h SER 88 N 0.13 0.65 -0.29 1.42 4.64 -1.86 -1.53 113.55 116.72 1pvn h SER 88 Ca 0.08 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1pvn h SER 88 Cb 0.07 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1pvn h SER 88 CO -0.10 0.85 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.93 1pvn h GLN 89 N 0.58 0.63 -0.92 4.77 4.15 -1.03 -2.08 115.11 121.20 1pvn h GLN 89 Ca 0.09 -0.29 0.01 0.00 0.77 0.00 0.00 58.65 59.24 1pvn h GLN 89 Cb 0.66 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1pvn h GLN 89 CO 0.05 0.87 0.61 0.00 -1.93 0.00 0.00 178.83 178.43 1pvn h ALA 90 N 0.74 1.36 -0.77 3.38 0.00 -0.83 -1.50 119.26 121.64 1pvn h ALA 90 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1pvn h ALA 90 Cb 0.70 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1pvn h ALA 90 CO 0.05 0.59 0.30 0.00 0.00 0.00 0.00 179.25 180.19 1pvn h ALA 91 N 1.43 1.00 -0.23 0.00 0.00 -1.08 -0.02 119.26 120.37 1pvn h ALA 91 Ca 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1pvn h ALA 91 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1pvn h ALA 91 CO -0.08 0.63 0.07 0.52 0.00 0.00 0.00 179.25 180.39 1pvn h MET 92 N 1.12 0.36 -0.50 0.00 2.07 -0.65 -0.94 114.93 116.39 1pvn h MET 92 Ca 0.26 -0.08 0.02 0.00 -2.07 0.00 0.00 59.70 57.82 1pvn h MET 92 Cb 0.22 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 1pvn h MET 92 CO -0.02 0.45 0.31 0.28 1.07 0.00 0.00 176.91 179.00 1pvn h VAL 93 N 0.20 1.08 -0.66 -2.22 2.07 -1.07 -1.96 116.25 113.69 1pvn h VAL 93 Ca 0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1pvn h VAL 93 Cb 0.24 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1pvn h VAL 93 CO -0.00 0.11 0.42 -0.74 0.02 0.00 0.00 177.57 177.38 1pvn h HIS 94 N 0.62 0.86 -0.71 1.57 2.76 -0.82 -0.72 115.15 118.70 1pvn h HIS 94 Ca 0.19 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1pvn h HIS 94 Cb -0.02 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 1pvn h HIS 94 CO -0.06 0.57 0.32 0.00 -1.30 0.00 0.00 177.93 177.46 1pvn h ALA 95 N 1.22 1.23 -0.18 5.26 0.00 -0.77 -0.90 119.26 125.13 1pvn h ALA 95 Ca 0.24 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1pvn h ALA 95 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1pvn h ALA 95 CO -0.05 0.58 -0.25 0.28 0.00 0.00 0.00 179.25 179.81 1pvn h VAL 96 N 1.01 1.34 0.00 0.00 2.07 -0.97 -2.13 116.25 117.58 1pvn h VAL 96 Ca 0.24 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1pvn h VAL 96 Cb 0.13 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1pvn h VAL 96 CO -0.03 0.44 -0.25 0.11 0.02 0.00 0.00 177.57 177.86 1pvn h LYS 97 N 0.13 0.00 -0.34 1.57 1.79 -0.91 -2.91 116.57 115.89 1pvn h LYS 97 Ca 0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1pvn h LYS 97 Cb 0.83 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1pvn h LYS 97 CO 0.06 0.25 0.02 0.09 -1.08 0.00 0.00 179.45 178.79 1pvn n ASN 98 N -4.19 4.04 0.01 0.86 4.13 -0.36 -4.66 115.26 115.09 1pvn n ASN 98 Ca -0.02 -3.10 -0.12 0.00 1.68 0.00 0.00 54.58 53.01 1pvn n ASN 98 Cb 0.31 -0.59 -0.08 0.00 -1.54 0.00 0.00 39.78 37.88 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 2.03 0.00 -3.29 3.10 3.57 -1.17 -3.49 116.94 117.69 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 1.60 -0.00 -0.30 0.00 2.79 0.00 0.00 35.95 40.04 1pvn h PHE 99 CO 0.68 0.24 -0.77 1.03 -2.23 0.00 0.00 178.31 177.26 1pvn s ARG 231 N -5.24 3.27 0.32 1.11 1.81 -1.26 -5.12 118.95 113.84 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 -2.82 -0.09 0.00 -0.45 0.00 0.00 34.95 31.63 1pvn s ARG 231 CO 0.67 -0.13 1.08 0.71 -0.68 0.00 0.00 175.30 176.95 1pvn s TYR 232 N 1.23 3.47 0.42 -0.53 4.12 -1.26 -5.03 117.35 119.77 1pvn s TYR 232 Ca 0.02 1.68 -0.21 0.00 0.02 0.00 0.00 57.07 58.58 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 -0.04 -0.59 0.95 -0.51 0.02 0.00 0.00 175.55 175.38 1pvn s LEU 233 N -1.84 3.97 -0.22 -1.29 1.02 -1.26 -4.65 118.68 114.40 1pvn s LEU 233 Ca 0.49 1.71 -0.20 0.00 0.02 0.00 0.00 54.13 56.15 1pvn s LEU 233 Cb -0.29 -4.50 0.06 0.00 0.02 0.00 0.00 46.19 41.48 1pvn s LEU 233 CO 0.37 -0.35 0.59 0.54 0.02 0.00 0.00 176.35 177.51 1pvn s VAL 234 N -2.12 0.00 0.50 -1.59 0.11 -1.26 -4.67 120.40 111.36 1pvn s VAL 234 Ca 0.61 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.72 1pvn s VAL 234 Cb -0.10 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1pvn s VAL 234 CO 0.14 -0.00 0.35 -0.83 -3.33 0.00 0.00 175.10 171.43 1pvn s GLY 235 N 0.29 2.35 -0.17 6.54 0.00 0.66 -1.09 107.32 115.90 1pvn s GLY 235 Ca -0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 44.72 43.10 1pvn s GLY 235 CO 0.01 -1.90 0.45 0.00 0.00 0.00 0.00 173.10 171.66 1pvn s ALA 236 N -2.69 -1.13 0.29 3.20 0.00 -0.73 -1.42 121.76 119.28 1pvn s ALA 236 Ca 0.37 1.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 1pvn s ALA 236 Cb -0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 1pvn s ALA 236 CO 0.22 -0.23 0.75 0.20 0.00 0.00 0.00 175.76 176.69 1pvn s GLY 237 N 0.56 2.46 0.26 0.00 0.00 -0.51 -1.84 107.32 108.24 1pvn s GLY 237 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1pvn s GLY 237 CO -0.03 0.39 0.07 -0.26 0.00 0.00 0.00 173.10 173.27 1pvn s ILE 238 N -1.80 0.74 0.41 0.90 -4.36 -0.35 -4.17 121.20 112.56 1pvn s ILE 238 Ca 0.50 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.94 1pvn s ILE 238 Cb -0.13 -2.56 -0.07 0.00 1.25 0.00 0.00 42.46 40.95 1pvn s ILE 238 CO 0.19 -0.10 0.02 0.54 0.24 0.00 0.00 174.94 175.83 1pvn s ASN 239 N -3.32 3.60 -0.00 4.36 2.20 -1.26 -1.08 114.94 119.43 1pvn s ASN 239 Ca 0.35 -1.42 0.05 0.00 -0.94 0.00 0.00 52.86 50.90 1pvn s ASN 239 Cb 0.07 -0.18 0.15 0.00 -2.00 0.00 0.00 41.25 39.29 1pvn s ASN 239 CO 0.12 -0.55 1.12 0.35 -2.94 0.00 0.00 177.10 175.20 1pvn n THR 240 N -0.96 0.24 -0.03 0.54 -2.24 -1.26 -4.03 114.28 106.54 1pvn n THR 240 Ca -0.06 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1pvn n THR 240 Cb 0.67 0.11 -0.02 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 0.01 0.18 -1.00 -0.78 5.12 -1.26 -4.78 116.66 114.15 1pvn n ARG 241 Ca 0.06 0.08 -0.08 0.00 -1.93 0.00 0.00 57.85 55.98 1pvn n ARG 241 Cb 0.15 -0.81 0.28 0.00 -1.16 0.00 0.00 32.46 30.92 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 -3.53 4.61 0.21 0.55 5.68 -1.26 -4.62 116.55 118.19 1pvn n ASP 242 Ca -0.13 -3.18 0.11 0.00 -0.50 0.00 0.00 54.79 51.08 1pvn n ASP 242 Cb 0.48 -0.75 0.67 0.00 -1.14 0.00 0.00 41.12 40.38 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 2.38 0.00 0.00 2.11 -5.15 -1.87 0.20 116.94 114.61 1pvn h PHE 243 Ca 0.29 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.04 1pvn h PHE 243 Cb 2.32 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.49 1pvn h PHE 243 CO 1.26 0.00 -0.10 0.00 -2.00 0.00 0.00 178.31 177.47 1pvn h ARG 244 N 0.00 0.00 0.00 6.09 3.08 -1.94 -1.20 114.38 120.42 1pvn h ARG 244 Ca 0.05 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.72 1pvn h ARG 244 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1pvn h ARG 244 CO -0.00 0.10 -2.41 0.39 -1.07 0.00 0.00 179.97 176.98 1pvn n GLU 245 N -4.08 0.61 -0.12 0.04 4.71 -0.66 -4.48 120.64 116.66 1pvn n GLU 245 Ca -0.03 0.15 -0.11 0.00 -0.01 0.00 0.00 57.16 57.16 1pvn n GLU 245 Cb 0.18 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 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 -0.08 0.64 0.16 3.49 2.43 -0.96 -3.13 114.38 116.92 1pvn h ARG 246 Ca -0.56 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.38 1pvn h ARG 246 Cb 1.83 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.32 1pvn h ARG 246 CO -0.11 0.80 -0.17 0.28 -1.51 0.00 0.00 179.97 179.26 1pvn h VAL 247 N 0.43 0.62 -0.82 0.20 2.07 -1.45 -0.81 116.25 116.49 1pvn h VAL 247 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1pvn h VAL 247 Cb 0.56 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1pvn h VAL 247 CO 0.03 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.45 1pvn h PRO 248 N -0.36 0.80 -0.76 1.57 0.11 -1.77 0.54 132.00 132.12 1pvn h PRO 248 Ca 0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1pvn h PRO 248 Cb 0.35 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1pvn h PRO 248 CO -0.05 0.53 0.37 0.00 -0.21 0.00 0.00 178.00 178.63 1pvn h ALA 249 N 1.44 0.99 -0.23 -0.75 0.00 -1.43 -0.27 119.26 119.01 1pvn h ALA 249 Ca 0.39 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1pvn h ALA 249 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pvn h ALA 249 CO -0.23 0.55 -0.63 -0.07 0.00 0.00 0.00 179.25 178.88 1pvn h LEU 250 N 1.08 0.90 -0.45 0.00 3.38 -0.32 -1.32 115.31 118.58 1pvn h LEU 250 Ca 0.26 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1pvn h LEU 250 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1pvn h LEU 250 CO -0.03 1.31 0.14 0.58 0.09 0.00 0.00 178.44 180.53 1pvn h VAL 251 N 0.59 1.22 -0.96 1.22 2.07 -0.76 -1.96 116.25 117.67 1pvn h VAL 251 Ca -0.01 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1pvn h VAL 251 Cb 1.23 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1pvn h VAL 251 CO 0.13 0.27 0.63 -0.08 0.02 0.00 0.00 177.57 178.54 1pvn h GLU 252 N 0.60 1.27 0.00 1.57 4.22 -0.98 -1.43 114.58 119.82 1pvn h GLU 252 Ca 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1pvn h GLU 252 Cb 0.26 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1pvn h GLU 252 CO -0.00 0.84 0.00 0.00 -2.18 0.00 0.00 179.01 177.67 1pvn h ALA 253 N 1.39 1.00 0.00 2.92 0.00 -0.82 -3.46 119.26 120.29 1pvn h ALA 253 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1pvn h ALA 253 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pvn h ALA 253 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1pvn n GLY 254 N -0.03 1.13 3.75 0.00 0.00 -0.54 -3.91 105.19 105.59 1pvn n GLY 254 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.77 -0.05 4.61 0.00 -0.78 -4.88 121.76 122.44 1pvn s ALA 255 Ca 0.00 1.57 0.12 0.00 0.00 0.00 0.00 51.96 53.65 1pvn s ALA 255 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1pvn s ALA 255 CO 0.00 -0.98 1.29 -0.44 0.00 0.00 0.00 175.76 175.63 1pvn h ASP 256 N 5.12 0.00 -5.00 0.00 5.19 -1.46 -3.45 116.42 116.81 1pvn h ASP 256 Ca -0.46 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 0.82 0.72 0.07 0.54 -3.12 0.00 0.00 179.24 178.26 1pvn s VAL 257 N -2.85 0.02 0.37 -1.35 0.11 -1.24 -4.56 120.40 110.91 1pvn s VAL 257 Ca 0.02 -0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1pvn s VAL 257 Cb 0.09 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1pvn s VAL 257 CO 0.78 -0.08 0.05 -0.76 -3.33 0.00 0.00 175.10 171.76 1pvn s LEU 258 N -1.36 2.98 -0.23 2.54 1.43 0.65 -1.78 118.68 122.90 1pvn s LEU 258 Ca -0.11 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1pvn s LEU 258 Cb -0.01 -1.25 0.09 0.00 0.03 0.00 0.00 46.19 45.05 1pvn s LEU 258 CO 0.07 -0.36 0.53 0.00 0.23 0.00 0.00 176.35 176.82 1pvn s ILE 260 N 2.19 3.47 -0.53 0.00 1.01 -0.62 -1.21 121.20 125.52 1pvn s ILE 260 Ca -0.06 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.47 1pvn s ILE 260 Cb -0.10 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.83 1pvn s ILE 260 CO -0.16 0.07 0.48 -0.62 0.00 0.00 0.00 174.94 174.71 1pvn s ASP 261 N 1.19 6.18 -0.05 3.58 2.15 -0.24 -4.46 116.67 125.02 1pvn s ASP 261 Ca 0.64 -1.69 -0.06 0.00 0.43 0.00 0.00 52.55 51.87 1pvn s ASP 261 Cb -0.35 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1pvn s ASP 261 CO 0.30 -0.82 0.15 -0.44 -0.17 0.00 0.00 175.17 174.19 1pvn s SER 262 N 3.40 -0.14 0.08 -0.34 0.01 -1.26 -4.23 113.70 111.22 1pvn s SER 262 Ca 0.03 0.24 -0.20 0.00 1.31 0.00 0.00 55.95 57.34 1pvn s SER 262 Cb -0.29 0.31 -0.10 0.00 0.21 0.00 0.00 66.02 66.15 1pvn s SER 262 CO 0.04 -0.10 1.56 -1.28 0.41 0.00 0.00 173.24 173.87 1pvn h SER 263 N 5.69 0.31 -3.70 2.44 0.87 -1.42 -3.39 113.55 114.36 1pvn h SER 263 Ca -0.26 -0.25 -0.64 0.00 -1.23 0.00 0.00 61.79 59.41 1pvn h SER 263 Cb 1.20 -0.08 -0.40 0.00 -0.44 0.00 0.00 62.40 62.67 1pvn h SER 263 CO 0.41 0.48 -0.71 -0.62 -0.53 0.00 0.00 176.83 175.86 1pvn s ASP 264 N -5.75 4.53 0.00 6.23 2.15 -1.26 -4.79 116.67 117.77 1pvn s ASP 264 Ca -0.14 -2.23 0.26 0.00 0.43 0.00 0.00 52.55 50.88 1pvn s ASP 264 Cb 0.07 -1.48 1.26 0.00 -0.30 0.00 0.00 42.92 42.47 1pvn s ASP 264 CO 0.72 -0.36 1.85 0.61 -0.17 0.00 0.00 175.17 177.82 1pvn n GLY 265 N 4.14 -0.40 3.11 2.66 0.00 -0.61 -4.56 105.19 109.53 1pvn n GLY 265 Ca 0.03 -0.32 -0.42 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 -0.30 4.02 -3.74 1.61 -0.00 -1.26 -4.61 117.46 113.19 1pvn n PHE 266 Ca 0.19 -2.93 -0.11 0.00 -0.00 0.00 0.00 57.45 54.60 1pvn n PHE 266 Cb 0.23 -2.56 -0.07 0.00 -0.00 0.00 0.00 39.48 37.09 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 3.51 -0.13 0.47 -2.13 1.04 -1.26 -5.01 113.70 110.19 1pvn s SER 267 Ca 0.49 -0.27 0.20 0.00 0.48 0.00 0.00 55.95 56.85 1pvn s SER 267 Cb 0.09 0.39 1.17 0.00 0.10 0.00 0.00 66.02 67.76 1pvn s SER 267 CO -0.01 -0.69 2.01 -0.08 0.98 0.00 0.00 173.24 175.44 1pvn h GLU 268 N 2.94 0.00 -0.91 4.02 4.81 -1.99 -2.24 114.58 121.22 1pvn h GLU 268 Ca -0.32 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1pvn h GLU 268 Cb 1.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1pvn h GLU 268 CO 0.48 0.18 0.59 -1.49 -0.73 0.00 0.00 179.01 178.03 1pvn h TRP 269 N 0.00 1.11 -0.28 0.92 4.06 -1.95 0.15 115.95 119.96 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 0.37 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1pvn h TRP 269 CO 0.00 0.64 -0.53 1.96 -3.56 0.00 0.00 178.44 176.95 1pvn h GLN 270 N 1.15 0.82 -0.86 0.49 4.20 -1.70 -1.90 115.11 117.30 1pvn h GLN 270 Ca 0.36 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1pvn h GLN 270 Cb -0.01 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1pvn h GLN 270 CO -0.11 1.14 0.52 -0.22 -0.67 0.00 0.00 178.83 179.49 1pvn h LYS 271 N 0.63 1.17 -0.38 1.46 3.64 -1.16 -0.25 116.57 121.67 1pvn h LYS 271 Ca 0.02 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1pvn h LYS 271 Cb 1.13 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1pvn h LYS 271 CO 0.12 0.82 0.10 0.82 -2.27 0.00 0.00 179.45 179.03 1pvn h ILE 272 N 1.18 1.22 -0.11 2.00 2.04 -0.63 -0.26 117.51 122.96 1pvn h ILE 272 Ca 0.31 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1pvn h ILE 272 Cb -0.05 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1pvn h ILE 272 CO -0.06 0.26 0.06 0.74 0.00 0.00 0.00 178.15 179.16 1pvn h THR 273 N 0.47 1.06 -0.72 -0.27 2.02 -0.89 -0.89 112.91 113.70 1pvn h THR 273 Ca 0.12 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1pvn h THR 273 Cb 0.30 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1pvn h THR 273 CO 0.00 0.06 0.28 0.40 0.37 0.00 0.00 175.52 176.63 1pvn h ILE 274 N 0.11 1.25 -0.94 3.11 2.04 -1.01 -2.38 117.51 119.68 1pvn h ILE 274 Ca 0.04 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1pvn h ILE 274 Cb 0.04 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1pvn h ILE 274 CO -0.01 0.32 0.57 1.23 0.00 0.00 0.00 178.15 180.26 1pvn h GLY 275 N 1.03 1.35 0.92 5.37 0.00 -0.72 -1.09 103.07 109.94 1pvn h GLY 275 Ca 0.24 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1pvn h GLY 275 CO -0.02 0.54 0.08 -0.25 0.00 0.00 0.00 176.54 176.89 1pvn h TRP 276 N 1.29 0.60 -0.37 5.60 7.01 -0.86 -0.22 115.95 129.00 1pvn h TRP 276 Ca 0.34 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 61.28 1pvn h TRP 276 Cb -0.07 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 1pvn h TRP 276 CO 0.00 0.61 0.22 0.82 -2.79 0.00 0.00 178.44 177.30 1pvn h ILE 277 N 0.42 1.04 -0.70 2.65 2.04 -1.07 -0.27 117.51 121.62 1pvn h ILE 277 Ca 0.11 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1pvn h ILE 277 Cb 0.32 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1pvn h ILE 277 CO 0.00 0.08 0.28 0.03 0.00 0.00 0.00 178.15 178.54 1pvn h ARG 278 N 0.44 1.04 -0.43 2.37 2.47 -1.05 0.43 114.38 119.64 1pvn h ARG 278 Ca 0.15 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1pvn h ARG 278 Cb 0.01 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 1pvn h ARG 278 CO -0.07 0.85 0.25 0.93 0.56 0.00 0.00 179.97 182.49 1pvn h GLU 279 N 1.02 0.60 0.06 0.04 5.08 -0.37 0.23 114.58 121.23 1pvn h GLU 279 Ca 0.24 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.25 1pvn h GLU 279 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1pvn h GLU 279 CO -0.02 0.46 -1.53 0.87 -1.00 0.00 0.00 179.01 177.79 1pvn h LYS 280 N 0.57 0.12 0.00 2.33 1.79 -0.78 -3.41 116.57 117.19 1pvn h LYS 280 Ca 0.15 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1pvn h LYS 280 Cb 0.03 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1pvn h LYS 280 CO -0.03 0.89 0.00 0.66 -1.08 0.00 0.00 179.45 179.89 1pvn n TYR 281 N -3.30 0.00 -4.19 -1.35 4.02 0.15 -5.09 117.16 107.40 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 0.47 2.79 0.59 2.72 0.00 0.81 -1.92 105.19 110.65 1pvn n GLY 282 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 1.90 1.75 0.13 1.61 10.43 -1.26 -4.16 116.55 126.94 1pvn n ASP 283 Ca 0.00 -1.77 -0.00 0.00 2.57 0.00 0.00 54.79 55.58 1pvn n ASP 283 Cb 0.00 -0.14 0.25 0.00 1.84 0.00 0.00 41.12 43.08 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 2.23 0.11 -5.26 -1.24 1.57 -1.78 -3.42 116.57 108.77 1pvn h LYS 284 Ca 0.00 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.10 1pvn h LYS 284 Cb 0.49 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.62 1pvn h LYS 284 CO 0.00 0.54 -0.60 0.08 -0.57 0.00 0.00 179.45 178.90 1pvn s VAL 285 N -4.03 4.48 -0.17 0.50 1.01 -1.26 -5.09 120.40 115.85 1pvn s VAL 285 Ca -0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1pvn s VAL 285 Cb 0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1pvn s VAL 285 CO 0.76 0.46 0.25 -0.54 0.00 0.00 0.00 175.10 176.02 1pvn s LYS 286 N 0.46 4.21 -0.06 2.72 -0.14 -1.26 -4.97 119.74 120.70 1pvn s LYS 286 Ca 0.01 0.01 -0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1pvn s LYS 286 Cb -0.13 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1pvn s LYS 286 CO 0.01 0.28 -0.02 0.54 -0.76 0.00 0.00 175.35 175.40 1pvn s VAL 287 N 0.37 0.46 0.51 3.17 0.11 -1.26 -0.25 120.40 123.51 1pvn s VAL 287 Ca 0.14 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1pvn s VAL 287 Cb -0.12 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1pvn s VAL 287 CO 0.02 0.25 0.82 -0.83 -3.33 0.00 0.00 175.10 172.03 1pvn s GLY 288 N 1.51 1.53 0.29 6.54 0.00 0.12 -1.07 107.32 116.24 1pvn s GLY 288 Ca -0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1pvn s GLY 288 CO -0.03 -0.35 0.53 0.00 0.00 0.00 0.00 173.10 173.24 1pvn s ALA 289 N -2.81 -0.11 0.00 3.20 0.00 -0.46 -1.59 121.76 119.99 1pvn s ALA 289 Ca 0.49 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1pvn s ALA 289 Cb -0.10 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1pvn s ALA 289 CO 0.45 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1pvn n GLY 290 N -0.45 0.57 0.00 0.00 0.00 -1.26 -1.28 105.19 102.76 1pvn n GLY 290 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 4.17 0.00 -4.49 1.61 4.13 -0.30 -3.43 115.26 116.95 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 1.57 0.00 2.41 -5.25 -0.95 -1.57 121.20 117.41 1pvn s ILE 292 Ca 0.00 -2.05 0.00 0.00 -0.99 0.00 0.00 60.65 57.61 1pvn s ILE 292 Cb 0.00 -2.73 0.00 0.00 2.95 0.00 0.00 42.46 42.68 1pvn s ILE 292 CO 0.00 -0.10 0.56 1.33 -1.79 0.00 0.00 174.94 174.94 1pvn n VAL 293 N -0.73 0.22 -4.09 8.37 0.24 -1.26 -1.99 118.33 119.09 1pvn n VAL 293 Ca -0.04 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 1pvn n VAL 293 Cb 0.66 1.00 -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 -0.22 0.38 0.26 -1.34 1.47 -1.26 -4.47 116.67 111.48 1pvn s ASP 294 Ca 0.00 -1.26 -0.03 0.00 1.18 0.00 0.00 52.55 52.43 1pvn s ASP 294 Cb 0.00 0.56 0.38 0.00 -0.34 0.00 0.00 42.92 43.52 1pvn s ASP 294 CO 0.00 -1.12 1.90 1.23 0.68 0.00 0.00 175.17 177.86 1pvn h GLY 295 N 2.29 1.49 0.95 2.12 0.00 -1.90 -2.34 103.07 105.69 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 0.41 0.38 0.19 0.83 0.00 0.00 0.00 176.54 178.35 1pvn h GLU 296 N 1.22 0.38 -0.43 4.80 5.08 -1.97 -0.58 114.58 123.09 1pvn h GLU 296 Ca 0.42 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1pvn h GLU 296 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1pvn h GLU 296 CO -0.15 0.25 0.20 0.78 -1.00 0.00 0.00 179.01 179.10 1pvn h GLY 297 N 0.39 0.66 0.73 -3.84 0.00 -1.92 -1.88 103.07 97.22 1pvn h GLY 297 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1pvn h GLY 297 CO -0.05 0.31 -0.09 -2.75 0.00 0.00 0.00 176.54 173.96 1pvn h PHE 298 N 0.55 -0.23 -0.76 5.60 3.57 -1.20 -2.38 116.94 122.09 1pvn h PHE 298 Ca 0.15 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1pvn h PHE 298 Cb 0.12 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1pvn h PHE 298 CO -0.01 -0.14 0.41 -0.09 -2.23 0.00 0.00 178.31 176.24 1pvn h ARG 299 N -0.14 0.66 -0.21 1.11 9.65 -0.93 0.13 114.38 124.64 1pvn h ARG 299 Ca 0.05 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pvn h ARG 299 Cb 0.20 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1pvn h ARG 299 CO -0.11 0.44 0.12 -0.92 2.80 0.00 0.00 179.97 182.29 1pvn h TYR 300 N 0.68 0.29 0.00 2.20 3.20 -1.07 -1.06 116.97 121.21 1pvn h TYR 300 Ca 0.37 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.11 1pvn h TYR 300 Cb 0.37 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1pvn h TYR 300 CO -0.09 0.26 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.02 1pvn h LEU 301 N 0.23 0.00 -0.15 2.82 3.38 -1.00 -1.58 115.31 119.01 1pvn h LEU 301 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1pvn h LEU 301 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1pvn h LEU 301 CO -0.01 0.60 -0.01 0.00 0.09 0.00 0.00 178.44 179.11 1pvn h ALA 302 N 1.40 0.21 0.00 1.53 0.00 -0.56 -2.19 119.26 119.66 1pvn h ALA 302 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1pvn h ALA 302 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pvn h ALA 302 CO 0.08 -0.08 -0.22 -0.44 0.00 0.00 0.00 179.25 178.58 1pvn h ASP 303 N 0.01 0.00 1.02 0.00 3.32 -1.12 -1.73 116.42 117.92 1pvn h ASP 303 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 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 0.22 -0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1pvn h ALA 304 N 1.78 1.00 0.00 3.45 0.00 -0.91 -3.47 119.26 121.11 1pvn h ALA 304 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pvn h ALA 304 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pvn h ALA 304 CO 0.03 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1pvn n GLY 305 N 0.03 1.20 3.75 0.00 0.00 -0.65 -4.56 105.19 104.97 1pvn n GLY 305 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.31 1.91 0.15 4.61 0.00 -0.86 -4.92 120.51 120.09 1pvn n ALA 306 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1pvn n ALA 306 Cb 0.00 -2.38 0.07 0.00 0.00 0.00 0.00 19.45 17.14 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 2.18 0.00 -5.00 0.00 5.19 -1.45 -3.46 116.42 113.88 1pvn h ASP 307 Ca -0.50 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 1pvn h ASP 307 Cb 1.28 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.61 1pvn h ASP 307 CO 0.60 0.16 0.16 0.72 -3.12 0.00 0.00 179.24 177.77 1pvn s PHE 308 N -3.17 -0.60 -0.09 4.55 -0.12 -1.26 0.11 117.98 117.40 1pvn s PHE 308 Ca 0.03 0.90 0.03 0.00 -0.05 0.00 0.00 56.93 57.85 1pvn s PHE 308 Cb 0.07 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1pvn s PHE 308 CO 0.73 -0.65 -0.19 0.42 -0.05 0.00 0.00 175.22 175.48 1pvn s ILE 309 N -1.75 1.72 -0.01 -4.49 1.01 -0.78 -1.35 121.20 115.54 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 40.90 1pvn s ILE 309 CO 0.05 0.48 0.57 -0.75 0.00 0.00 0.00 174.94 175.29 1pvn s LYS 310 N 0.56 4.29 -0.10 2.79 2.20 -0.40 -1.11 119.74 127.97 1pvn s LYS 310 Ca -0.15 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 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 0.05 0.38 -0.04 0.42 -0.36 0.00 0.00 175.35 175.80 1pvn s ILE 311 N -0.19 3.92 0.00 5.43 1.01 0.19 -1.15 121.20 130.40 1pvn s ILE 311 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1pvn s ILE 311 Cb -0.18 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1pvn s ILE 311 CO 0.16 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1pvn n GLY 312 N 2.55 3.93 2.69 6.18 0.00 -0.84 -0.94 105.19 118.76 1pvn n GLY 312 Ca -0.18 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 0.06 0.00 -0.61 1.01 -1.26 -4.67 121.20 115.73 1pvn s ILE 313 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1pvn s ILE 313 Cb 0.00 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1pvn s ILE 313 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1pvn n GLY 314 N 5.24 1.43 0.08 6.18 0.00 -1.26 -3.45 105.19 113.41 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 -1.64 3.70 -0.02 0.00 -1.26 -4.76 105.19 99.20 1pvn n GLY 315 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 1.31 0.58 0.36 -0.02 0.00 -1.26 -2.72 105.19 103.45 1pvn n GLY 316 Ca 0.06 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 2.32 0.50 -0.59 1.61 4.64 -1.95 -1.66 113.55 118.42 1pvn h SER 317 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pvn h SER 317 Cb 1.29 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1pvn h SER 317 CO 0.61 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 179.16 1pvn n ILE 318 N -4.49 1.32 -3.48 0.95 -6.64 -1.26 -4.98 119.36 100.79 1pvn n ILE 318 Ca 0.13 -1.11 -0.38 0.00 -1.77 0.00 0.00 62.75 59.62 1pvn n ILE 318 Cb 0.40 0.35 -0.06 0.00 -1.44 0.00 0.00 39.64 38.88 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 2.76 1.36 -0.21 0.00 -5.35 -0.37 -4.81 119.36 112.74 1pvn n ILE 320 Ca -0.12 -1.87 -0.04 0.00 -0.27 0.00 0.00 62.75 60.45 1pvn n ILE 320 Cb 0.52 0.05 0.06 0.00 -1.74 0.00 0.00 39.64 38.53 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 2.44 1.04 0.00 7.28 2.02 -1.88 -0.75 112.91 123.07 1pvn h THR 321 Ca -0.02 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1pvn h THR 321 Cb 1.18 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1pvn h THR 321 CO 0.01 0.13 -0.05 0.03 0.37 0.00 0.00 175.52 176.01 1pvn h ARG 322 N 0.70 0.00 0.00 6.66 3.08 -1.86 0.24 114.38 123.20 1pvn h ARG 322 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1pvn h ARG 322 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1pvn h ARG 322 CO -0.12 0.05 -1.35 0.39 -1.07 0.00 0.00 179.97 177.88 1pvn n GLU 323 N -3.86 0.62 -0.03 0.04 1.02 -0.82 -2.50 120.64 115.12 1pvn n GLU 323 Ca -0.03 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 1pvn n GLU 323 Cb 0.14 -1.74 -0.13 0.00 -0.02 0.00 0.00 31.44 29.69 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 0.72 -0.00 3.49 1.13 -0.35 -4.67 117.38 115.10 1pvn n GLN 324 Ca -0.03 0.28 0.04 0.00 -1.94 0.00 0.00 57.00 55.35 1pvn n GLN 324 Cb 0.60 -1.68 -0.05 0.00 0.11 0.00 0.00 30.24 29.22 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 -3.58 1.05 -1.36 -1.09 5.02 0.77 -5.03 118.16 113.94 1pvn n LYS 325 Ca -0.35 -0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 55.86 1pvn n LYS 325 Cb 0.99 -1.11 -0.01 0.00 -0.02 0.00 0.00 35.03 34.89 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 1.92 0.50 3.57 0.72 0.00 -1.04 -5.02 105.19 105.83 1pvn n GLY 326 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.11 3.29 -4.97 -0.61 -4.36 -1.26 -5.01 121.20 106.16 1pvn s ILE 327 Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1pvn s ILE 327 Cb 0.00 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1pvn s ILE 327 CO 0.00 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1pvn n GLY 328 N 0.55 1.01 3.58 6.27 0.00 -1.26 -3.96 105.19 111.38 1pvn n GLY 328 Ca -0.13 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.65 0.68 0.19 1.61 3.52 -1.22 -5.04 118.95 117.05 1pvn s ARG 329 Ca 0.00 0.27 -0.33 0.00 -0.13 0.00 0.00 55.73 55.54 1pvn s ARG 329 Cb 0.00 0.32 -0.14 0.00 -1.56 0.00 0.00 34.95 33.57 1pvn s ARG 329 CO 0.00 -0.19 1.42 0.41 -0.81 0.00 0.00 175.30 176.13 1pvn n GLY 330 N 1.06 0.75 0.24 8.12 0.00 -1.26 -4.64 105.19 109.47 1pvn n GLY 330 Ca -0.12 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 4.62 0.49 -0.15 1.61 5.75 -1.93 -1.51 115.11 124.00 1pvn h GLN 331 Ca -0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1pvn h GLN 331 Cb 1.28 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1pvn h GLN 331 CO 0.79 0.32 0.07 0.00 -2.65 0.00 0.00 178.83 177.37 1pvn h ALA 332 N 1.40 0.19 -0.88 3.38 0.00 -1.85 -1.26 119.26 120.24 1pvn h ALA 332 Ca 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1pvn h ALA 332 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1pvn h ALA 332 CO -0.27 -0.25 0.58 1.15 0.00 0.00 0.00 179.25 180.47 1pvn h THR 333 N 0.11 1.21 -0.24 0.00 2.02 -1.18 -0.80 112.91 114.04 1pvn h THR 333 Ca 0.05 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1pvn h THR 333 Cb 0.12 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1pvn h THR 333 CO -0.01 0.22 0.10 0.00 0.37 0.00 0.00 175.52 176.20 1pvn h ALA 334 N 1.46 0.31 -0.12 6.16 0.00 -0.95 -1.10 119.26 125.02 1pvn h ALA 334 Ca 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pvn h ALA 334 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pvn h ALA 334 CO -0.08 -0.10 0.06 0.28 0.00 0.00 0.00 179.25 179.42 1pvn h VAL 335 N 0.24 1.10 -0.70 0.00 2.07 -0.82 -0.87 116.25 117.27 1pvn h VAL 335 Ca 0.08 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1pvn h VAL 335 Cb 0.17 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1pvn h VAL 335 CO -0.01 0.09 0.43 0.40 0.02 0.00 0.00 177.57 178.50 1pvn h ILE 336 N 0.09 1.08 -0.14 4.57 2.04 -1.07 0.21 117.51 124.30 1pvn h ILE 336 Ca 0.04 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1pvn h ILE 336 Cb 0.08 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1pvn h ILE 336 CO -0.01 0.15 -0.05 -0.78 0.00 0.00 0.00 178.15 177.46 1pvn h ASP 337 N 0.84 0.29 -0.65 1.72 -0.00 -1.06 -2.42 116.42 115.14 1pvn h ASP 337 Ca 0.29 -0.40 -0.03 0.00 -0.00 0.00 0.00 57.03 56.89 1pvn h ASP 337 Cb 0.05 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.27 1pvn h ASP 337 CO -0.12 0.62 0.29 0.58 -0.00 0.00 0.00 179.24 180.61 1pvn h VAL 338 N -0.05 1.23 -0.91 2.25 2.07 -0.98 -2.51 116.25 117.35 1pvn h VAL 338 Ca 0.03 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1pvn h VAL 338 Cb 0.50 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1pvn h VAL 338 CO 0.02 0.27 0.57 0.58 0.02 0.00 0.00 177.57 179.03 1pvn h VAL 339 N 0.90 1.25 -0.50 2.57 2.07 -0.96 0.16 116.25 121.73 1pvn h VAL 339 Ca 0.22 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pvn h VAL 339 Cb 0.16 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1pvn h VAL 339 CO -0.02 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.14 1pvn h ALA 340 N 1.31 0.64 -0.41 1.67 0.00 -1.11 -0.47 119.26 120.89 1pvn h ALA 340 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1pvn h ALA 340 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pvn h ALA 340 CO -0.06 0.06 -0.23 1.49 0.00 0.00 0.00 179.25 180.50 1pvn h GLU 341 N 0.65 0.84 -0.94 0.00 4.57 -0.99 -2.47 114.58 116.24 1pvn h GLU 341 Ca 0.19 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1pvn h GLU 341 Cb -0.04 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 1pvn h GLU 341 CO -0.06 0.98 0.56 -0.09 -1.18 0.00 0.00 179.01 179.23 1pvn h ARG 342 N 0.73 1.29 -0.07 1.92 1.12 -0.11 0.21 114.38 119.47 1pvn h ARG 342 Ca 0.10 -0.12 -0.12 0.00 -1.11 0.00 0.00 59.98 58.72 1pvn h ARG 342 Cb 0.76 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 1pvn h ARG 342 CO 0.06 0.91 -0.52 -0.91 -3.11 0.00 0.00 179.97 176.39 1pvn h ASN 343 N 1.31 0.20 -0.25 -3.80 2.35 -0.93 -1.03 115.58 113.42 1pvn h ASN 343 Ca 0.34 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 1pvn h ASN 343 Cb -0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1pvn h ASN 343 CO -0.06 0.68 -0.42 0.11 -1.65 0.00 0.00 177.43 176.09 1pvn h LYS 344 N 0.14 0.73 -0.93 0.81 1.57 -0.97 -2.36 116.57 115.56 1pvn h LYS 344 Ca 0.00 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1pvn h LYS 344 Cb 0.97 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1pvn h LYS 344 CO 0.08 1.07 0.61 -0.92 -0.57 0.00 0.00 179.45 179.72 1pvn h TYR 345 N 0.46 1.18 -0.36 -1.35 3.20 -0.74 -0.98 116.97 118.38 1pvn h TYR 345 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1pvn h TYR 345 Cb 1.02 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1pvn h TYR 345 CO 0.08 0.75 0.17 0.35 -1.64 0.00 0.00 178.16 177.87 1pvn h PHE 346 N 1.27 0.52 -0.22 -3.82 3.57 -1.09 0.68 116.94 117.85 1pvn h PHE 346 Ca 0.34 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1pvn h PHE 346 Cb -0.13 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1pvn h PHE 346 CO -0.00 0.45 -0.14 0.93 -2.23 0.00 0.00 178.31 177.32 1pvn h GLU 347 N 0.44 0.36 0.01 1.11 5.08 -0.99 0.61 114.58 121.19 1pvn h GLU 347 Ca 0.12 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1pvn h GLU 347 Cb 0.13 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1pvn h GLU 347 CO -0.01 0.50 -0.64 0.93 -1.00 0.00 0.00 179.01 178.78 1pvn h GLU 348 N 0.34 0.42 0.00 2.33 5.08 -0.84 -3.39 114.58 118.52 1pvn h GLU 348 Ca 0.06 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1pvn h GLU 348 Cb 0.45 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1pvn h GLU 348 CO 0.03 1.13 -1.31 0.25 -1.00 0.00 0.00 179.01 178.11 1pvn n THR 349 N -4.19 0.00 -0.99 1.13 -2.24 0.20 -4.98 114.28 103.21 1pvn n THR 349 Ca -0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1pvn n THR 349 Cb 0.69 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.50 0.60 3.45 3.38 0.00 0.21 -4.99 105.19 109.35 1pvn n GLY 350 Ca -0.00 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 -2.47 4.19 -0.29 -0.61 1.01 -1.25 -0.32 121.20 121.47 1pvn s ILE 351 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 1pvn s ILE 351 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1pvn s ILE 351 CO 0.00 0.38 0.30 -0.47 0.00 0.00 0.00 174.94 175.16 1pvn s TYR 352 N 1.31 3.23 -0.32 3.97 5.04 -0.12 -3.92 117.35 126.55 1pvn s TYR 352 Ca 0.05 0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.81 1pvn s TYR 352 Cb -0.15 -2.52 0.01 0.00 0.35 0.00 0.00 41.96 39.66 1pvn s TYR 352 CO 0.02 -0.25 0.12 0.42 -1.34 0.00 0.00 175.55 174.53 1pvn s ILE 353 N 1.94 4.19 0.46 3.14 1.01 -1.26 -2.13 121.20 128.55 1pvn s ILE 353 Ca 0.11 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 1pvn s ILE 353 Cb -0.16 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.01 1pvn s ILE 353 CO 0.11 -0.03 1.34 -2.84 0.00 0.00 0.00 174.94 173.52 1pvn s PRO 354 N 1.52 3.68 0.11 2.79 0.02 -1.26 -4.84 135.00 137.01 1pvn s PRO 354 Ca 0.02 2.22 0.10 0.00 0.02 0.00 0.00 61.00 63.36 1pvn s PRO 354 Cb -0.18 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1pvn s PRO 354 CO 0.04 -0.76 -0.25 0.14 -0.33 0.00 0.00 177.00 175.84 1pvn s VAL 355 N -1.28 2.07 -0.13 3.83 -7.23 -1.26 -1.86 120.40 114.54 1pvn s VAL 355 Ca 0.62 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1pvn s VAL 355 Cb -0.40 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 1pvn s VAL 355 CO 0.50 0.07 -0.19 0.00 -0.31 0.00 0.00 175.10 175.17 1pvn s SER 357 N 0.58 6.48 -0.32 0.00 0.15 -0.81 0.54 113.70 120.33 1pvn s SER 357 Ca -0.11 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 1pvn s SER 357 Cb -0.16 -2.45 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1pvn s SER 357 CO 0.03 -1.07 0.11 -0.62 1.20 0.00 0.00 173.24 172.90 1pvn s ASP 358 N 2.31 5.30 0.00 5.45 2.15 -0.12 -1.45 116.67 130.31 1pvn s ASP 358 Ca 0.36 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.55 1pvn s ASP 358 Cb -0.10 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 1pvn s ASP 358 CO 0.26 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 1pvn n GLY 359 N 4.89 0.76 2.07 2.66 0.00 -0.99 -4.53 105.19 110.05 1pvn n GLY 359 Ca -0.14 -1.73 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 0.84 1.38 3.64 -0.02 0.00 -1.10 -4.78 105.19 105.14 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 -3.08 4.03 -0.13 -0.61 -1.09 -1.26 -4.85 121.20 114.20 1pvn s ILE 361 Ca 0.00 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.58 1pvn s ILE 361 Cb 0.00 -3.93 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 1pvn s ILE 361 CO 0.00 -0.28 -0.15 0.52 -1.23 0.00 0.00 174.94 173.79 1pvn n VAL 362 N 5.92 0.75 -4.31 2.92 0.31 -1.26 -4.78 118.33 117.88 1pvn n VAL 362 Ca 0.16 -0.22 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1pvn n VAL 362 Cb 0.45 -1.42 -0.09 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.25 2.61 0.33 3.52 2.02 -1.26 -5.03 117.35 117.29 1pvn s TYR 363 Ca -0.18 -0.24 0.07 0.00 -0.37 0.00 0.00 57.07 56.35 1pvn s TYR 363 Cb 0.06 -1.24 0.75 0.00 -0.40 0.00 0.00 41.96 41.13 1pvn s TYR 363 CO 0.26 0.55 1.85 -0.44 -1.57 0.00 0.00 175.55 176.20 1pvn h ASP 364 N 2.67 0.74 0.66 2.29 3.45 -1.96 0.53 116.42 124.79 1pvn h ASP 364 Ca -0.46 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.05 1pvn h ASP 364 Cb 1.22 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 1pvn h ASP 364 CO 0.56 0.36 0.00 0.10 -1.57 0.00 0.00 179.24 178.69 1pvn h TYR 365 N 0.77 0.00 -0.13 4.55 -0.00 -1.95 -1.15 116.97 119.05 1pvn h TYR 365 Ca 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.14 1pvn h TYR 365 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.42 1pvn h TYR 365 CO -0.00 0.00 -0.23 0.45 -0.00 0.00 0.00 178.16 178.38 1pvn h HIS 366 N 0.00 0.25 -0.18 0.10 3.86 -1.28 -1.72 115.15 116.18 1pvn h HIS 366 Ca 0.00 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1pvn h HIS 366 Cb 0.33 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1pvn h HIS 366 CO 0.00 0.46 0.09 0.52 0.86 0.00 0.00 177.93 179.85 1pvn h MET 367 N 0.21 0.26 -0.86 2.45 2.86 -1.27 -0.95 114.93 117.63 1pvn h MET 367 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pvn h MET 367 Cb 0.53 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1pvn h MET 367 CO 0.04 0.29 0.55 1.15 1.06 0.00 0.00 176.91 179.99 1pvn h THR 368 N 0.16 1.23 -0.26 2.22 2.02 -1.50 -1.77 112.91 115.01 1pvn h THR 368 Ca 0.06 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1pvn h THR 368 Cb 0.12 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1pvn h THR 368 CO -0.01 0.23 0.10 -0.07 0.37 0.00 0.00 175.52 176.14 1pvn h LEU 369 N 1.17 0.36 -0.43 2.58 3.38 -1.07 0.16 115.31 121.46 1pvn h LEU 369 Ca 0.31 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1pvn h LEU 369 Cb -0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1pvn h LEU 369 CO -0.06 0.44 0.24 0.00 0.09 0.00 0.00 178.44 179.14 1pvn h ALA 370 N 0.94 0.54 -0.35 1.53 0.00 -0.88 0.20 119.26 121.24 1pvn h ALA 370 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1pvn h ALA 370 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pvn h ALA 370 CO -0.01 -0.10 0.12 -0.07 0.00 0.00 0.00 179.25 179.19 1pvn h LEU 371 N 0.48 0.51 -1.30 0.00 3.38 -1.20 -2.20 115.31 114.98 1pvn h LEU 371 Ca 0.18 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1pvn h LEU 371 Cb 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1pvn h LEU 371 CO -0.10 0.57 0.48 0.00 0.09 0.00 0.00 178.44 179.48 1pvn h ALA 372 N 0.96 1.51 0.00 1.53 0.00 -0.54 -0.78 119.26 121.94 1pvn h ALA 372 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pvn h ALA 372 Cb 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pvn h ALA 372 CO -0.01 0.44 0.00 -1.33 0.00 0.00 0.00 179.25 178.35 1pvn n MET 373 N -4.44 0.02 0.00 0.00 2.81 0.02 -4.44 117.12 111.09 1pvn n MET 373 Ca 0.08 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1pvn n MET 373 Cb 0.06 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 0.06 1.42 3.76 3.03 0.00 -0.30 -4.57 105.19 108.59 1pvn n GLY 374 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.61 3.55 0.01 4.61 0.00 -0.85 -4.81 121.76 122.66 1pvn s ALA 375 Ca 0.00 1.30 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1pvn s ALA 375 Cb 0.00 -3.52 -0.30 0.00 0.00 0.00 0.00 23.12 19.30 1pvn s ALA 375 CO 0.00 -0.71 0.90 -0.44 0.00 0.00 0.00 175.76 175.51 1pvn h ASP 376 N 4.00 0.54 -5.35 0.00 3.32 -1.50 -3.39 116.42 114.04 1pvn h ASP 376 Ca -0.48 -0.69 -0.13 0.00 0.02 0.00 0.00 57.03 55.75 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 1.56 -0.39 0.72 -1.72 0.00 0.00 179.24 180.11 1pvn s PHE 377 N -2.61 0.62 -0.05 4.55 -0.71 -1.20 -4.79 117.98 113.79 1pvn s PHE 377 Ca -0.10 -0.95 0.05 0.00 -1.04 0.00 0.00 56.93 54.89 1pvn s PHE 377 Cb 0.06 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1pvn s PHE 377 CO 0.88 -0.73 -0.21 0.42 -1.34 0.00 0.00 175.22 174.24 1pvn s ILE 378 N -4.03 1.71 -0.19 -4.49 1.01 0.44 -1.93 121.20 113.72 1pvn s ILE 378 Ca 0.24 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1pvn s ILE 378 Cb 0.04 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1pvn s ILE 378 CO 0.05 0.48 0.05 -0.32 0.00 0.00 0.00 174.94 175.20 1pvn s MET 379 N -0.02 3.92 0.02 2.79 -2.45 -0.53 -0.82 119.30 122.22 1pvn s MET 379 Ca -0.05 -0.37 0.05 0.00 -1.25 0.00 0.00 55.69 54.07 1pvn s MET 379 Cb -0.13 -3.20 -0.02 0.00 1.25 0.00 0.00 34.83 32.74 1pvn s MET 379 CO 0.03 0.23 -0.14 -0.51 1.05 0.00 0.00 175.02 175.69 1pvn s LEU 380 N 0.47 2.13 -0.00 4.11 1.02 -0.49 -2.36 118.68 123.56 1pvn s LEU 380 Ca 0.02 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 1pvn s LEU 380 Cb -0.13 -0.62 -0.00 0.00 0.02 0.00 0.00 46.19 45.46 1pvn s LEU 380 CO 0.01 0.07 -0.02 0.61 0.02 0.00 0.00 176.35 177.04 1pvn n GLY 381 N 2.17 -0.20 0.26 -3.19 0.00 -1.26 -1.00 105.19 101.96 1pvn n GLY 381 Ca -0.17 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.05 0.23 -0.70 1.61 2.43 -1.97 -0.43 114.38 115.50 1pvn h ARG 382 Ca 0.00 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 1pvn h ARG 382 Cb 0.05 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.46 1pvn h ARG 382 CO 0.00 0.15 0.22 -0.92 -1.51 0.00 0.00 179.97 177.92 1pvn h TYR 383 N 0.24 0.37 0.00 2.20 3.20 -1.86 -2.57 116.97 118.56 1pvn h TYR 383 Ca 0.38 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 62.08 1pvn h TYR 383 Cb 0.64 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1pvn h TYR 383 CO -0.28 0.01 -1.21 0.74 -1.64 0.00 0.00 178.16 175.77 1pvn h PHE 384 N 0.35 0.00 -0.00 -3.82 -1.00 -1.59 -3.33 116.94 107.55 1pvn h PHE 384 Ca 0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.16 1pvn h PHE 384 Cb 0.59 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.15 1pvn h PHE 384 CO -0.21 0.84 0.00 0.00 -1.61 0.00 0.00 178.31 177.33 1pvn h ALA 385 N 1.16 1.53 0.00 2.45 0.00 -0.69 -1.50 119.26 122.21 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 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1pvn h ALA 385 CO 0.09 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1pvn n ARG 386 N -3.86 0.23 -2.70 0.00 1.74 -1.15 -4.74 116.66 106.18 1pvn n ARG 386 Ca -0.03 0.33 -0.30 0.00 -0.77 0.00 0.00 57.85 57.08 1pvn n ARG 386 Cb 0.08 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 1pvn n ARG 386 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pvn s PHE 387 N -3.22 3.50 0.36 -1.55 0.08 -0.57 -1.14 117.98 115.44 1pvn s PHE 387 Ca 0.07 1.04 0.11 0.00 0.12 0.00 0.00 56.93 58.27 1pvn s PHE 387 Cb 0.11 -2.45 0.90 0.00 -0.57 0.00 0.00 43.02 41.00 1pvn s PHE 387 CO 0.49 -0.20 1.82 1.49 -0.10 0.00 0.00 175.22 178.71 1pvn h GLU 388 N 0.88 0.59 0.00 0.44 4.57 -0.70 -1.28 114.58 119.08 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 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1pvn h GLU 388 CO 0.63 0.39 0.00 0.39 -1.18 0.00 0.00 179.01 179.24 1pvn n GLU 389 N -4.63 0.15 -2.09 1.92 4.71 -1.26 -4.80 120.64 114.64 1pvn n GLU 389 Ca 0.21 0.31 -0.39 0.00 -0.01 0.00 0.00 57.16 57.29 1pvn n GLU 389 Cb 0.62 -1.75 -0.00 0.00 -1.01 0.00 0.00 31.44 29.30 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 -3.91 6.21 0.00 1.62 1.04 -0.48 -3.25 113.70 114.92 1pvn s SER 390 Ca 0.07 2.57 0.06 0.00 0.48 0.00 0.00 55.95 59.13 1pvn s SER 390 Cb 0.11 -2.63 0.37 0.00 0.10 0.00 0.00 66.02 63.97 1pvn s SER 390 CO 0.41 -0.91 0.81 -0.81 0.98 0.00 0.00 173.24 173.72 1pvn n PRO 391 N -0.09 0.46 -2.81 4.02 -0.04 -1.26 -4.84 135.00 130.44 1pvn n PRO 391 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1pvn n PRO 391 Cb 0.45 -1.21 0.03 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 3.06 0.34 0.52 -4.23 -1.26 -5.05 115.64 107.02 1pvn s THR 392 Ca 0.09 -0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 1pvn s THR 392 Cb 0.04 -3.12 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1pvn s THR 392 CO 0.07 -0.08 0.80 -0.13 -0.54 0.00 0.00 174.62 174.75 1pvn s ARG 393 N -4.63 4.12 -0.07 3.99 0.52 -1.26 -4.84 118.95 116.78 1pvn s ARG 393 Ca 0.54 0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 56.42 1pvn s ARG 393 Cb -0.10 -2.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1pvn s ARG 393 CO 0.37 0.14 0.50 0.15 0.02 0.00 0.00 175.30 176.48 1pvn s LYS 394 N -2.89 4.27 0.01 3.54 1.02 -1.26 -2.33 119.74 122.09 1pvn s LYS 394 Ca 0.55 0.53 0.02 0.00 0.02 0.00 0.00 55.97 57.09 1pvn s LYS 394 Cb -0.11 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 1pvn s LYS 394 CO 0.17 0.30 -0.06 0.08 -0.92 0.00 0.00 175.35 174.92 1pvn s VAL 395 N 0.13 0.48 -0.24 3.17 1.01 0.13 -4.94 120.40 120.13 1pvn s VAL 395 Ca 0.27 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1pvn s VAL 395 Cb -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1pvn s VAL 395 CO 0.13 0.02 0.46 -0.89 0.00 0.00 0.00 175.10 174.82 1pvn s THR 396 N -0.40 5.12 -0.28 3.92 2.01 -1.26 0.83 115.64 125.58 1pvn s THR 396 Ca -0.00 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1pvn s THR 396 Cb -0.04 -3.78 0.08 0.00 0.01 0.00 0.00 72.50 68.76 1pvn s THR 396 CO -0.00 0.15 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.43 1pvn s ILE 397 N 1.95 1.79 -1.07 1.82 1.09 0.03 -4.79 121.20 122.02 1pvn s ILE 397 Ca 0.20 -1.65 -0.01 0.00 -1.10 0.00 0.00 60.65 58.10 1pvn s ILE 397 Cb -0.15 -2.13 -0.01 0.00 -1.06 0.00 0.00 42.46 39.11 1pvn s ILE 397 CO 0.09 -0.30 0.89 0.59 -0.10 0.00 0.00 174.94 176.12 1pvn n ASN 398 N 4.53 -2.60 0.00 3.58 3.02 -1.26 -2.65 115.26 119.88 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 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 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 -1.14 0.50 3.36 7.41 0.00 -1.26 -4.99 105.19 109.07 1pvn n GLY 399 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.40 3.94 -0.12 1.61 0.01 -1.08 -5.09 113.70 110.57 1pvn s SER 400 Ca 0.00 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1pvn s SER 400 Cb 0.00 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.63 1pvn s SER 400 CO 0.00 0.17 1.17 -0.69 0.41 0.00 0.00 173.24 174.30 1pvn s VAL 401 N 0.33 4.39 0.42 3.43 1.01 -1.26 -0.79 120.40 127.93 1pvn s VAL 401 Ca -0.11 1.69 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1pvn s VAL 401 Cb -0.16 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1pvn s VAL 401 CO 0.06 -0.07 0.04 -0.04 0.00 0.00 0.00 175.10 175.09 1pvn s MET 402 N 2.74 1.94 0.05 2.72 1.00 0.24 -1.66 119.30 126.33 1pvn s MET 402 Ca 0.53 -2.15 0.05 0.00 0.00 0.00 0.00 55.69 54.12 1pvn s MET 402 Cb -0.21 -1.27 -0.02 0.00 0.00 0.00 0.00 34.83 33.32 1pvn s MET 402 CO 0.17 -0.23 -0.14 0.15 0.00 0.00 0.00 175.02 174.97 1pvn s LYS 403 N -3.80 0.91 0.35 2.03 1.02 0.25 0.18 119.74 120.67 1pvn s LYS 403 Ca 0.26 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 55.19 1pvn s LYS 403 Cb 0.06 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.37 1pvn s LYS 403 CO 0.13 0.22 1.11 -1.21 -0.92 0.00 0.00 175.35 174.68 1pvn s GLU 404 N -1.26 4.34 -0.22 1.68 2.02 -0.99 -1.29 118.70 122.98 1pvn s GLU 404 Ca 0.01 1.73 -0.08 0.00 0.02 0.00 0.00 54.97 56.65 1pvn s GLU 404 Cb -0.08 -2.86 0.10 0.00 0.10 0.00 0.00 34.13 31.39 1pvn s GLU 404 CO 0.01 -0.04 0.48 -0.47 0.02 0.00 0.00 175.26 175.27 1pvn s TYR 405 N -1.38 -0.93 0.07 1.61 5.04 -0.33 -4.77 117.35 116.66 1pvn s TYR 405 Ca 0.52 1.72 0.03 0.00 -2.44 0.00 0.00 57.07 56.91 1pvn s TYR 405 Cb -0.29 0.43 -0.03 0.00 0.35 0.00 0.00 41.96 42.42 1pvn s TYR 405 CO 0.36 -0.52 -0.10 1.67 -1.34 0.00 0.00 175.55 175.62 1pvn s TRP 406 N 2.64 0.96 0.56 4.97 -2.14 -1.26 -0.52 118.94 124.15 1pvn s TRP 406 Ca -0.03 -0.57 -0.16 0.00 2.66 0.00 0.00 56.10 58.01 1pvn s TRP 406 Cb -0.12 -0.55 -0.06 0.00 -3.10 0.00 0.00 33.47 29.65 1pvn s TRP 406 CO -0.14 -0.02 1.02 0.20 -2.66 0.00 0.00 176.95 175.34 1pvn s GLY 407 N -2.01 2.05 0.44 3.67 0.00 -0.29 -4.70 107.32 106.48 1pvn s GLY 407 Ca -0.01 0.24 0.30 0.00 0.00 0.00 0.00 44.72 45.25 1pvn s GLY 407 CO 0.00 0.53 1.88 0.83 0.00 0.00 0.00 173.10 176.35 1pvn h GLU 408 N 0.60 0.00 -0.52 2.90 4.39 -1.93 -2.32 114.58 117.70 1pvn h GLU 408 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 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 0.01 1.53 3.91 -3.84 0.00 -1.26 -1.90 105.19 103.65 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 -1.08 6.29 0.57 1.61 1.04 -0.87 -1.22 113.70 120.04 1pvn s SER 410 Ca 0.37 0.80 0.30 0.00 0.48 0.00 0.00 55.95 57.90 1pvn s SER 410 Cb 0.20 -2.19 1.74 0.00 0.10 0.00 0.00 66.02 65.87 1pvn s SER 410 CO 0.26 -0.48 2.20 0.77 0.98 0.00 0.00 173.24 176.97 1pvn h SER 411 N 0.45 0.00 -0.38 7.02 4.64 -1.88 -0.86 113.55 122.54 1pvn h SER 411 Ca -0.48 0.00 -0.07 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 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.49 1pvn h ARG 412 N 0.00 0.69 0.17 4.77 2.43 -1.93 -3.29 114.38 117.22 1pvn h ARG 412 Ca -0.00 -0.24 -0.27 0.00 -0.81 0.00 0.00 59.98 58.66 1pvn h ARG 412 Cb 0.11 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1pvn h ARG 412 CO 0.01 0.81 -1.26 0.00 -1.51 0.00 0.00 179.97 178.01 1pvn h ALA 413 N 0.86 -0.00 -4.73 2.80 0.00 -1.63 -3.48 119.26 113.06 1pvn h ALA 413 Ca 0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 54.91 53.70 1pvn h ALA 413 Cb 0.52 0.27 0.06 0.00 0.00 0.00 0.00 17.79 18.64 1pvn h ALA 413 CO 0.03 0.66 -0.62 0.54 0.00 0.00 0.00 179.25 179.86 1pvn n ARG 414 N -3.90 -5.25 -2.36 0.00 1.74 -0.37 -4.88 116.66 101.63 1pvn n ARG 414 Ca -0.19 0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 57.34 1pvn n ARG 414 Cb 0.95 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.62 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 -2.59 4.70 0.21 0.55 2.85 -0.80 -4.74 115.26 115.45 1pvn n ASN 415 Ca -0.09 -2.94 0.07 0.00 -0.11 0.00 0.00 54.58 51.51 1pvn n ASN 415 Cb 0.61 -1.65 0.48 0.00 1.24 0.00 0.00 39.78 40.46 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 6.74 0.00 -0.47 1.20 5.08 -1.90 -2.93 115.95 123.66 1pvn h TRP 416 Ca 0.45 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.44 1pvn h TRP 416 Cb 0.76 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.90 1pvn h TRP 416 CO 1.35 0.28 0.31 1.96 -1.28 0.00 0.00 178.44 181.06 1pvn h GLN 417 N 0.00 0.59 0.00 0.12 7.50 -1.94 -1.31 115.11 120.07 1pvn h GLN 417 Ca -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 1pvn h GLN 417 Cb 0.59 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1pvn h GLN 417 CO 0.04 0.39 -0.08 -0.09 -1.50 0.00 0.00 178.83 177.59 1pvn h ARG 418 N 0.60 0.00 -0.12 1.46 2.43 -1.69 -2.54 114.38 114.53 1pvn h ARG 418 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pvn h ARG 418 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pvn h ARG 418 CO -0.04 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 1pvn n TYR 419 N -3.68 0.24 -1.74 2.20 4.02 -0.67 -1.17 117.16 116.36 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 0.19 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 6.40 -0.18 7.72 3.68 -0.59 -4.91 116.67 127.27 1pvn s ASP 420 Ca 0.18 2.83 0.14 0.00 2.13 0.00 0.00 52.55 57.84 1pvn s ASP 420 Cb 0.13 -2.59 0.44 0.00 -1.45 0.00 0.00 42.92 39.44 1pvn s ASP 420 CO 0.06 -0.97 1.20 0.18 0.13 0.00 0.00 175.17 175.77 1pvn n LEU 421 N 4.25 2.64 -0.00 -1.34 4.77 -1.26 -4.93 117.00 121.13 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 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1pvn n LEU 421 CO 0.64 1.31 -0.00 0.61 -1.33 0.00 0.00 177.39 178.62 1pvn n GLY 422 N -0.66 0.48 0.00 -0.72 0.00 -1.26 -5.03 105.19 98.00 1pvn n GLY 422 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.00 1.52 3.77 -0.02 0.00 -1.26 -5.05 105.19 101.15 1pvn n GLY 423 Ca -0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 2.57 3.54 -1.00 1.61 1.02 -1.26 -4.88 119.74 121.35 1pvn s LYS 424 Ca 0.00 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 57.78 1pvn s LYS 424 Cb 0.00 -2.30 -0.08 0.00 -0.52 0.00 0.00 37.83 34.93 1pvn s LYS 424 CO 0.00 -0.75 2.43 1.04 -0.92 0.00 0.00 175.35 177.15 1pvn n GLN 425 N -0.75 2.45 -3.52 1.68 6.02 -1.26 -4.75 117.38 117.25 1pvn n GLN 425 Ca 0.09 -1.57 -0.11 0.00 -0.01 0.00 0.00 57.00 55.40 1pvn n GLN 425 Cb 0.48 -2.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 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 2.81 1.30 -0.35 -1.09 -2.85 -1.26 -5.01 119.74 113.29 1pvn s LYS 426 Ca 0.49 -0.59 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 1pvn s LYS 426 Cb 0.14 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.49 1pvn s LYS 426 CO -0.04 -0.56 1.16 -1.17 0.10 0.00 0.00 175.35 174.85 1pvn s LEU 427 N -2.78 3.84 0.32 2.77 2.96 -1.26 -4.89 118.68 119.64 1pvn s LEU 427 Ca 0.03 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1pvn s LEU 427 Cb -0.01 -3.54 0.54 0.00 0.50 0.00 0.00 46.19 43.68 1pvn s LEU 427 CO -0.10 -1.03 1.96 0.28 -1.32 0.00 0.00 176.35 176.13 1pvn h SER 428 N 8.76 0.78 -4.65 3.68 0.02 -1.96 -3.45 113.55 116.72 1pvn h SER 428 Ca -0.23 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1pvn h SER 428 Cb 1.07 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 63.26 1pvn h SER 428 CO 1.06 0.62 0.51 0.72 -1.14 0.00 0.00 176.83 178.59 1pvn s PHE 429 N -5.63 -0.33 0.32 3.45 -0.12 -1.26 -5.16 117.98 109.26 1pvn s PHE 429 Ca -0.10 0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.69 1pvn s PHE 429 Cb 0.17 0.54 -0.09 0.00 -0.63 0.00 0.00 43.02 43.01 1pvn s PHE 429 CO 0.78 -0.54 1.13 -1.21 -0.05 0.00 0.00 175.22 175.34 1pvn s GLU 430 N -3.09 4.43 0.00 1.99 2.02 -1.26 -4.93 118.70 117.86 1pvn s GLU 430 Ca 0.05 1.83 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1pvn s GLU 430 Cb -0.01 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1pvn s GLU 430 CO -0.08 0.01 0.68 0.39 0.02 0.00 0.00 175.26 176.27 1pvn n GLU 431 N 0.76 1.21 -3.90 1.61 1.02 -0.35 -4.93 120.64 116.06 1pvn n GLU 431 Ca 0.01 -0.89 -0.09 0.00 -0.02 0.00 0.00 57.16 56.16 1pvn n GLU 431 Cb 0.45 -0.77 -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 -0.44 0.29 0.36 0.62 0.00 -1.09 -1.24 107.32 105.83 1pvn s GLY 432 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.09 1pvn s GLY 432 CO 0.00 -0.77 -0.05 -1.34 0.00 0.00 0.00 173.10 170.94 1pvn s VAL 433 N -3.92 2.21 -0.18 1.40 -7.23 -0.44 -3.81 120.40 108.43 1pvn s VAL 433 Ca 0.12 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1pvn s VAL 433 Cb 0.03 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1pvn s VAL 433 CO -0.04 -0.14 0.11 -0.62 -0.31 0.00 0.00 175.10 174.09 1pvn s ASP 434 N -3.65 6.02 0.13 4.85 2.15 -1.26 -1.13 116.67 123.77 1pvn s ASP 434 Ca 0.34 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.51 1pvn s ASP 434 Cb 0.04 -2.02 0.01 0.00 -0.30 0.00 0.00 42.92 40.65 1pvn s ASP 434 CO 0.17 0.22 0.20 -1.54 -0.17 0.00 0.00 175.17 174.05 1pvn n SER 435 N 3.24 -0.57 -4.14 -0.34 3.41 0.32 -4.99 113.62 110.56 1pvn n SER 435 Ca -0.17 -1.63 -0.22 0.00 -0.26 0.00 0.00 58.87 56.58 1pvn n SER 435 Cb 0.53 1.01 -0.15 0.00 -0.26 0.00 0.00 64.21 65.34 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 -4.95 1.36 0.10 7.33 1.51 -1.26 -1.19 117.35 120.25 1pvn s TYR 436 Ca 0.09 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1pvn s TYR 436 Cb -0.01 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1pvn s TYR 436 CO 0.06 0.01 -0.17 0.14 -1.11 0.00 0.00 175.55 174.48 1pvn s VAL 437 N -0.54 1.43 0.32 0.71 -7.23 -0.41 -4.93 120.40 109.75 1pvn s VAL 437 Ca 0.05 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1pvn s VAL 437 Cb -0.07 -1.41 -0.11 0.00 0.56 0.00 0.00 36.38 35.35 1pvn s VAL 437 CO 0.00 -0.22 1.45 -2.16 -0.31 0.00 0.00 175.10 173.86 1pvn s PRO 438 N -2.11 4.21 0.04 4.82 0.04 -1.26 -0.59 135.00 140.15 1pvn s PRO 438 Ca 0.05 2.42 -0.31 0.00 0.04 0.00 0.00 61.00 63.21 1pvn s PRO 438 Cb -0.08 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1pvn s PRO 438 CO 0.03 -0.44 1.30 -0.47 0.04 0.00 0.00 177.00 177.47 1pvn s TYR 439 N -0.69 3.19 -0.98 0.56 5.04 -0.66 -4.61 117.35 119.20 1pvn s TYR 439 Ca 0.55 1.07 0.09 0.00 -2.44 0.00 0.00 57.07 56.34 1pvn s TYR 439 Cb -0.44 -3.55 0.03 0.00 0.35 0.00 0.00 41.96 38.35 1pvn s TYR 439 CO 0.54 -1.88 0.69 0.00 -1.34 0.00 0.00 175.55 173.55 1pvn n ALA 440 N 4.51 2.64 0.00 3.97 0.00 -0.29 -4.98 120.51 126.36 1pvn n ALA 440 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1pvn n ALA 440 Cb 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.70 0.09 3.78 0.00 0.00 -1.25 -4.89 105.19 103.63 1pvn n GLY 441 Ca 0.05 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 4.54 0.12 1.61 1.02 -1.26 0.05 119.74 125.82 1pvn s LYS 442 Ca 0.00 1.25 -0.20 0.00 0.02 0.00 0.00 55.97 57.03 1pvn s LYS 442 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1pvn s LYS 442 CO 0.00 0.33 1.72 1.25 -0.92 0.00 0.00 175.35 177.73 1pvn h LEU 443 N 3.34 -0.09 -0.45 3.17 6.46 -1.94 -2.77 115.31 123.04 1pvn h LEU 443 Ca -0.47 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.42 1pvn h LEU 443 Cb 1.19 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 41.10 1pvn h LEU 443 CO 0.65 -0.02 -0.24 0.50 -0.62 0.00 0.00 178.44 178.71 1pvn h LYS 444 N 0.04 -0.15 -0.69 1.25 3.64 -1.94 0.18 116.57 118.90 1pvn h LYS 444 Ca 0.08 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1pvn h LYS 444 Cb 0.10 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1pvn h LYS 444 CO -0.14 -0.10 0.27 -0.44 -2.27 0.00 0.00 179.45 176.76 1pvn h ASP 445 N -0.15 0.97 -0.16 4.20 3.32 -1.95 -1.61 116.42 121.02 1pvn h ASP 445 Ca 0.21 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1pvn h ASP 445 Cb 0.48 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1pvn h ASP 445 CO -0.54 0.88 -0.20 0.78 -1.72 0.00 0.00 179.24 178.45 1pvn h ASN 446 N 0.99 0.46 -0.92 6.45 2.35 -1.12 -2.22 115.58 121.57 1pvn h ASN 446 Ca 0.23 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1pvn h ASN 446 Cb 0.23 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1pvn h ASN 446 CO -0.02 0.86 0.51 0.58 -1.65 0.00 0.00 177.43 177.72 1pvn h VAL 447 N 0.06 1.26 -0.25 2.81 2.07 -0.64 -0.27 116.25 121.29 1pvn h VAL 447 Ca 0.02 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1pvn h VAL 447 Cb 0.75 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1pvn h VAL 447 CO 0.05 0.29 0.16 -0.08 0.02 0.00 0.00 177.57 178.00 1pvn h GLU 448 N 1.28 0.33 -0.50 1.57 4.81 -1.25 -0.93 114.58 119.89 1pvn h GLU 448 Ca 0.32 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1pvn h GLU 448 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1pvn h GLU 448 CO -0.05 0.24 0.23 0.00 -0.73 0.00 0.00 179.01 178.70 1pvn h ALA 449 N 1.07 0.64 0.21 2.92 0.00 -0.94 -1.68 119.26 121.48 1pvn h ALA 449 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pvn h ALA 449 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1pvn h ALA 449 CO -0.02 0.21 -0.10 0.77 0.00 0.00 0.00 179.25 180.12 1pvn h SER 450 N 0.66 -0.23 0.54 0.00 0.02 -0.86 -2.94 113.55 110.74 1pvn h SER 450 Ca 0.17 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1pvn h SER 450 Cb 0.14 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1pvn h SER 450 CO -0.02 -0.13 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.34 1pvn h LEU 451 N -0.31 0.00 -0.92 5.07 3.38 -1.13 -1.82 115.31 119.57 1pvn h LEU 451 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1pvn h LEU 451 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1pvn h LEU 451 CO 0.05 0.13 -0.27 0.78 0.09 0.00 0.00 178.44 179.22 1pvn h ASN 452 N 0.00 0.48 -0.24 -0.43 2.35 -1.13 0.10 115.58 116.71 1pvn h ASN 452 Ca -0.00 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.41 1pvn h ASN 452 Cb 0.44 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1pvn h ASN 452 CO 0.02 0.74 -0.51 0.11 -1.65 0.00 0.00 177.43 176.13 1pvn h LYS 453 N 0.42 0.76 -0.00 0.81 1.57 -1.24 -1.79 116.57 117.09 1pvn h LYS 453 Ca 0.06 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pvn h LYS 453 Cb 0.69 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1pvn h LYS 453 CO 0.05 1.13 0.00 0.28 -0.57 0.00 0.00 179.45 180.34 1pvn h VAL 454 N 0.50 1.03 -0.83 0.50 2.07 -1.06 -1.42 116.25 117.04 1pvn h VAL 454 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1pvn h VAL 454 Cb 1.12 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1pvn h VAL 454 CO 0.11 0.03 0.51 0.11 0.02 0.00 0.00 177.57 178.35 1pvn h LYS 455 N -0.04 1.11 -0.40 1.57 1.57 -0.81 -0.52 116.57 119.05 1pvn h LYS 455 Ca 0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1pvn h LYS 455 Cb 0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1pvn h LYS 455 CO -0.00 0.77 0.24 0.77 -0.57 0.00 0.00 179.45 180.66 1pvn h SER 456 N 1.13 0.49 -0.50 0.86 0.02 -1.12 -1.79 113.55 112.65 1pvn h SER 456 Ca 0.30 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1pvn h SER 456 Cb -0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1pvn h SER 456 CO -0.06 0.41 0.13 0.74 -1.14 0.00 0.00 176.83 176.91 1pvn h THR 457 N 0.53 1.24 -0.87 -2.27 2.02 -0.94 -1.96 112.91 110.66 1pvn h THR 457 Ca 0.14 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.60 1pvn h THR 457 Cb 0.01 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1pvn h THR 457 CO -0.03 0.30 0.56 0.24 0.37 0.00 0.00 175.52 176.96 1pvn h MET 458 N 0.69 0.79 -0.34 6.66 2.07 -0.81 0.13 114.93 124.12 1pvn h MET 458 Ca 0.16 -0.05 -0.12 0.00 -2.07 0.00 0.00 59.70 57.62 1pvn h MET 458 Cb 0.32 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1pvn h MET 458 CO 0.00 0.52 -0.29 0.00 1.07 0.00 0.00 176.91 178.21 1pvn h ASN 460 N 0.60 0.47 0.03 0.00 4.21 -0.29 -1.34 115.58 119.26 1pvn h ASN 460 Ca 0.07 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1pvn h ASN 460 Cb 0.80 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1pvn h ASN 460 CO 0.07 0.42 -0.01 0.00 -1.29 0.00 0.00 177.43 176.61 1pvn n GLY 462 N 1.12 0.37 3.35 0.00 0.00 -0.51 -4.32 105.19 105.21 1pvn n GLY 462 Ca 0.20 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.19 2.42 -1.46 4.61 0.00 0.45 -4.94 121.76 120.65 1pvn s ALA 463 Ca 0.00 -0.99 0.13 0.00 0.00 0.00 0.00 51.96 51.10 1pvn s ALA 463 Cb 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.29 1pvn s ALA 463 CO 0.00 0.41 0.85 1.28 0.00 0.00 0.00 175.76 178.30 1pvn n LEU 464 N 2.93 1.85 -3.96 0.00 4.77 -1.26 -3.90 117.00 117.44 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 0.35 -0.14 0.42 -1.33 0.00 0.00 177.39 176.95 1pvn s THR 465 N -1.22 0.13 0.14 -5.08 -4.23 -1.26 -0.11 115.64 104.01 1pvn s THR 465 Ca 0.13 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 1pvn s THR 465 Cb 0.10 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.38 1pvn s THR 465 CO 0.21 -0.59 1.67 0.40 -0.54 0.00 0.00 174.62 175.76 1pvn h ILE 466 N 2.77 1.22 -0.51 2.99 2.04 -1.83 -1.63 117.51 122.56 1pvn h ILE 466 Ca -0.34 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1pvn h ILE 466 Cb 1.20 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1pvn h ILE 466 CO 0.56 0.27 0.31 -0.65 0.00 0.00 0.00 178.15 178.64 1pvn h PRO 467 N 0.61 0.68 -0.40 2.37 0.11 -1.93 -0.53 132.00 132.91 1pvn h PRO 467 Ca 0.15 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1pvn h PRO 467 Cb 0.27 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1pvn h PRO 467 CO -0.00 0.47 0.15 1.96 -0.21 0.00 0.00 178.00 180.36 1pvn h GLN 468 N 0.70 0.60 -0.49 1.05 4.20 -1.87 -1.98 115.11 117.32 1pvn h GLN 468 Ca 0.19 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1pvn h GLN 468 Cb -0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1pvn h GLN 468 CO -0.04 0.58 0.31 1.25 -0.67 0.00 0.00 178.83 180.27 1pvn h LEU 469 N 0.50 0.54 -1.94 1.46 5.85 -0.46 0.12 115.31 121.37 1pvn h LEU 469 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1pvn h LEU 469 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1pvn h LEU 469 CO -0.01 0.39 -0.11 1.56 -0.34 0.00 0.00 178.44 179.92 1pvn h GLN 470 N 0.64 0.00 0.12 1.25 4.20 -0.93 0.90 115.11 121.29 1pvn h GLN 470 Ca 0.18 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.60 1pvn h GLN 470 Cb -0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1pvn h GLN 470 CO -0.05 0.11 -1.49 1.03 -0.67 0.00 0.00 178.83 177.76 1pvn h SER 471 N 0.00 0.39 1.37 1.46 0.87 -0.69 -3.40 113.55 113.56 1pvn h SER 471 Ca -0.00 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1pvn h SER 471 Cb 0.27 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1pvn h SER 471 CO 0.01 1.65 -0.59 0.11 -0.53 0.00 0.00 176.83 177.49 1pvn h LYS 472 N -0.26 0.00 -6.60 2.24 1.57 -0.62 -3.48 116.57 109.42 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 1.80 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.21 1pvn h LYS 472 CO 0.06 0.00 0.45 0.00 -0.57 0.00 0.00 179.45 179.40 1pvn n ALA 473 N -2.12 0.78 -4.01 3.86 0.00 0.29 -4.92 120.51 114.39 1pvn n ALA 473 Ca 0.02 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1pvn n ALA 473 Cb 0.53 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.17 2.47 -0.15 0.00 1.02 -1.26 -5.05 119.74 115.60 1pvn s LYS 474 Ca 0.62 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 55.43 1pvn s LYS 474 Cb -0.64 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 1pvn s LYS 474 CO 0.56 -0.48 -0.19 0.42 -0.92 0.00 0.00 175.35 174.75 1pvn s ILE 475 N 1.17 2.32 0.12 2.17 1.01 -1.26 -0.76 121.20 125.97 1pvn s ILE 475 Ca -0.05 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 59.82 1pvn s ILE 475 Cb -0.18 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1pvn s ILE 475 CO -0.06 0.53 -0.26 0.28 0.00 0.00 0.00 174.94 175.43 1pvn s THR 476 N 0.87 2.18 0.53 2.92 -1.32 -0.76 -4.99 115.64 115.09 1pvn s THR 476 Ca -0.05 -1.72 -0.13 0.00 -1.21 0.00 0.00 61.69 58.58 1pvn s THR 476 Cb -0.15 -1.94 -0.06 0.00 -1.51 0.00 0.00 72.50 68.84 1pvn s THR 476 CO -0.02 0.08 0.96 -0.76 -2.21 0.00 0.00 174.62 172.67 1pvn s LEU 477 N -2.02 3.53 -0.06 9.08 1.43 -1.26 -1.87 118.68 127.52 1pvn s LEU 477 Ca 0.13 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 1pvn s LEU 477 Cb -0.10 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1pvn s LEU 477 CO 0.06 -0.65 -0.14 -0.69 0.23 0.00 0.00 176.35 175.16 1pvn s VAL 478 N -2.77 1.27 0.75 -1.59 1.01 0.14 -4.89 120.40 114.32 1pvn s VAL 478 Ca 0.56 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1pvn s VAL 478 Cb -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1pvn s VAL 478 CO 0.39 0.38 1.12 -0.94 0.00 0.00 0.00 175.10 176.05 1pvn s SER 479 N 0.48 4.49 0.36 3.32 1.04 -1.26 -4.82 113.70 117.31 1pvn s SER 479 Ca -0.12 1.98 0.04 0.00 0.48 0.00 0.00 55.95 58.33 1pvn s SER 479 Cb -0.15 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 64.11 1pvn s SER 479 CO 0.04 -2.05 2.00 0.77 0.98 0.00 0.00 173.24 174.98 1pvn h SER 480 N -0.74 0.63 0.02 7.02 4.64 -1.99 -0.91 113.55 122.22 1pvn h SER 480 Ca -0.45 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1pvn h SER 480 Cb 1.25 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1pvn h SER 480 CO 0.51 0.49 -0.41 0.58 -0.87 0.00 0.00 176.83 177.13 1pvn h VAL 481 N 0.72 1.30 -0.18 0.95 2.07 -2.00 -2.27 116.25 116.85 1pvn h VAL 481 Ca 0.19 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 1pvn h VAL 481 Cb -0.02 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1pvn h VAL 481 CO -0.03 0.49 -0.25 0.28 0.02 0.00 0.00 177.57 178.07 1pvn h SER 482 N 0.40 0.33 -0.46 0.57 0.02 -1.64 -2.35 113.55 110.43 1pvn h SER 482 Ca 0.04 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1pvn h SER 482 Cb 0.89 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1pvn h SER 482 CO 0.08 0.59 0.21 0.40 -1.14 0.00 0.00 176.83 176.97 1pvn h ILE 483 N 0.30 1.19 -0.84 3.27 1.08 -0.66 -1.23 117.51 120.62 1pvn h ILE 483 Ca 0.05 -0.57 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1pvn h ILE 483 Cb 0.61 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1pvn h ILE 483 CO 0.04 0.22 0.54 0.58 -0.69 0.00 0.00 178.15 178.84 1pvn h VAL 484 N 0.60 1.16 0.00 1.67 2.07 -1.09 -1.15 116.25 119.51 1pvn h VAL 484 Ca 0.16 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1pvn h VAL 484 Cb 0.15 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1pvn h VAL 484 CO -0.02 0.20 -0.19 -0.08 0.02 0.00 0.00 177.57 177.50 1pvn h GLU 485 N 1.08 0.00 0.00 1.57 4.81 -0.95 -2.91 114.58 118.17 1pvn h GLU 485 Ca 0.32 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1pvn h GLU 485 Cb -0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1pvn h GLU 485 CO -0.10 0.19 -0.30 0.78 -0.73 0.00 0.00 179.01 178.86 1pvn h GLY 486 N 0.95 0.00 -1.23 1.92 0.00 -0.00 -3.45 103.07 101.26 1pvn h GLY 486 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1pvn h GLY 486 CO 0.02 0.00 0.02 0.61 0.00 0.00 0.00 176.54 177.20 1pvn n GLY 487 N -0.14 1.27 3.77 4.60 0.00 -1.10 -5.04 105.19 108.55 1pvn n GLY 487 Ca -0.01 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.86 3.20 -0.08 4.61 0.00 -1.26 -5.01 121.76 120.35 1pvn s ALA 488 Ca 0.53 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 1pvn s ALA 488 Cb -0.04 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1pvn s ALA 488 CO 0.35 -0.81 0.43 -3.38 0.00 0.00 0.00 175.76 172.34 1pvn s HIS 489 N -1.30 -0.39 -1.58 0.00 -0.00 -1.26 -4.91 115.29 105.85 1pvn s HIS 489 Ca 0.58 0.79 0.00 0.00 -0.00 0.00 0.00 55.06 56.44 1pvn s HIS 489 Cb -0.37 0.18 0.00 0.00 -0.00 0.00 0.00 32.58 32.39 1pvn s HIS 489 CO 0.47 -0.36 0.00 -0.25 -0.00 0.00 0.00 174.74 174.59 1pvn n ASP 490 N 1.87 -5.33 -3.85 7.38 8.00 -1.26 -4.98 116.55 118.37 1pvn n ASP 490 Ca -0.18 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.21 1pvn n ASP 490 Cb 0.57 -4.39 -0.08 0.00 -0.02 0.00 0.00 41.12 37.19 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 -2.91 0.11 -0.39 2.53 -7.23 -1.26 -5.12 120.40 106.13 1pvn s VAL 491 Ca 0.00 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1pvn s VAL 491 Cb 0.00 -0.95 0.01 0.00 0.56 0.00 0.00 36.38 36.00 1pvn s VAL 491 CO 0.00 -0.52 0.32 -0.63 -0.31 0.00 0.00 175.10 173.96 1pvn s ILE 492 N -2.70 5.22 -0.07 -0.62 1.01 -1.26 -5.03 121.20 117.75 1pvn s ILE 492 Ca -0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1pvn s ILE 492 Cb -0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1pvn s ILE 492 CO -0.05 -0.25 1.49 -0.69 0.00 0.00 0.00 174.94 175.45 1pvn s VAL 493 N 1.82 3.78 -2.08 2.92 1.01 -1.26 -5.20 120.40 121.39 1pvn s VAL 493 Ca 0.07 1.01 0.31 0.00 0.00 0.00 0.00 61.98 63.38 1pvn s VAL 493 Cb -0.18 -3.65 0.85 0.00 0.00 0.00 0.00 36.38 33.40 1pvn s VAL 493 CO 0.11 -0.07 2.15 1.17 0.00 0.00 0.00 175.10 178.46