#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvj h ALA 3 N 0.00 1.32 -3.18 -1.46 0.00 -1.92 -3.43 119.26 110.59 2vvj h ALA 3 Ca 0.00 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 2vvj h ALA 3 Cb 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.61 2vvj h ALA 3 CO 0.00 0.49 -0.41 0.42 0.00 0.00 0.00 179.25 179.75 2vvj s ILE 4 N -4.21 5.36 0.31 0.00 1.01 -1.26 -4.98 121.20 117.42 2vvj s ILE 4 Ca -0.03 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 2vvj s ILE 4 Cb 0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2vvj s ILE 4 CO 0.74 0.41 0.56 -0.54 0.00 0.00 0.00 174.94 176.10 2vvj s LYS 5 N 0.48 3.59 0.54 2.79 -0.14 -1.26 -5.00 119.74 120.75 2vvj s LYS 5 Ca 0.12 -0.07 0.23 0.00 -1.36 0.00 0.00 55.97 54.89 2vvj s LYS 5 Cb -0.12 -2.64 1.44 0.00 -1.68 0.00 0.00 37.83 34.83 2vvj s LYS 5 CO 0.01 0.19 2.09 -1.35 -0.76 0.00 0.00 175.35 175.53 2vvj h PRO 6 N 1.42 0.00 -4.75 -1.68 0.11 -1.98 -3.40 132.00 121.72 2vvj h PRO 6 Ca -0.48 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 2vvj h PRO 6 Cb 1.20 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.96 2vvj h PRO 6 CO 0.65 0.00 -0.84 -0.51 -0.21 0.00 0.00 178.00 177.09 2vvj s ASP 7 N -6.40 2.40 0.11 -2.05 1.01 -1.26 -4.07 116.67 106.41 2vvj s ASP 7 Ca -0.05 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.85 2vvj s ASP 7 Cb 0.17 -1.08 -0.03 0.00 1.01 0.00 0.00 42.92 42.99 2vvj s ASP 7 CO 0.65 0.03 -0.14 -0.04 0.21 0.00 0.00 175.17 175.88 2vvj s MET 8 N 0.92 0.96 0.17 8.23 -1.94 -0.41 -5.01 119.30 122.22 2vvj s MET 8 Ca -0.08 -1.15 0.03 0.00 -1.71 0.00 0.00 55.69 52.77 2vvj s MET 8 Cb -0.15 -0.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.77 2vvj s MET 8 CO -0.00 0.18 0.30 0.15 -0.01 0.00 0.00 175.02 175.64 2vvj s LYS 9 N -2.38 3.44 -0.07 2.03 1.02 0.13 -1.38 119.74 122.53 2vvj s LYS 9 Ca 0.06 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2vvj s LYS 9 Cb -0.06 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2vvj s LYS 9 CO 0.03 0.50 -0.01 0.42 -0.92 0.00 0.00 175.35 175.36 2vvj s ILE 10 N -1.79 0.49 -0.09 2.17 1.01 0.93 -0.65 121.20 123.26 2vvj s ILE 10 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2vvj s ILE 10 Cb -0.11 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2vvj s ILE 10 CO 0.29 0.27 -0.09 0.21 0.00 0.00 0.00 174.94 175.62 2vvj s ASN 11 N 1.83 4.44 -0.01 3.58 3.84 0.33 -1.06 114.94 127.90 2vvj s ASN 11 Ca 0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 52.86 52.96 2vvj s ASN 11 Cb -0.12 -1.30 0.00 0.00 -0.55 0.00 0.00 41.25 39.28 2vvj s ASN 11 CO -0.05 0.29 0.03 -0.22 -2.79 0.00 0.00 177.10 174.36 2vvj s LEU 12 N -0.37 1.90 -0.13 3.21 0.20 0.28 -1.15 118.68 122.61 2vvj s LEU 12 Ca 0.05 0.01 -0.02 0.00 0.69 0.00 0.00 54.13 54.87 2vvj s LEU 12 Cb -0.12 0.12 0.04 0.00 -0.43 0.00 0.00 46.19 45.80 2vvj s LEU 12 CO 0.02 -0.04 0.00 -0.60 -0.29 0.00 0.00 176.35 175.44 2vvj s ARG 13 N -0.14 0.80 -0.16 1.98 6.06 -0.41 -0.56 118.95 126.52 2vvj s ARG 13 Ca -0.02 -0.18 -0.03 0.00 -2.50 0.00 0.00 55.73 53.01 2vvj s ARG 13 Cb -0.01 -1.54 -0.02 0.00 0.06 0.00 0.00 34.95 33.43 2vvj s ARG 13 CO -0.00 -0.43 -0.07 1.41 -2.50 0.00 0.00 175.30 173.71 2vvj s MET 14 N 1.87 3.51 -0.01 5.12 -2.45 0.54 -0.90 119.30 126.98 2vvj s MET 14 Ca 0.02 -0.60 0.06 0.00 -1.25 0.00 0.00 55.69 53.93 2vvj s MET 14 Cb -0.14 -2.85 -0.03 0.00 1.25 0.00 0.00 34.83 33.06 2vvj s MET 14 CO -0.07 0.13 -0.18 -1.21 1.05 0.00 0.00 175.02 174.74 2vvj s GLU 15 N 0.61 2.27 0.26 4.11 2.02 -0.68 -0.12 118.70 127.18 2vvj s GLU 15 Ca -0.04 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 2vvj s GLU 15 Cb -0.15 -2.24 0.07 0.00 0.10 0.00 0.00 34.13 31.91 2vvj s GLU 15 CO 0.03 0.58 0.95 0.20 0.02 0.00 0.00 175.26 177.04 2vvj s GLY 16 N -0.93 0.20 -0.21 -1.39 0.00 -0.55 -2.11 107.32 102.33 2vvj s GLY 16 Ca 0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.31 2vvj s GLY 16 CO 0.02 1.44 0.42 0.21 0.00 0.00 0.00 173.10 175.18 2vvj s ASN 17 N -3.28 -0.18 -0.10 1.64 3.84 -0.31 -1.02 114.94 115.54 2vvj s ASN 17 Ca 0.19 0.82 0.04 0.00 0.21 0.00 0.00 52.86 54.12 2vvj s ASN 17 Cb -0.03 1.32 0.00 0.00 -0.55 0.00 0.00 41.25 41.99 2vvj s ASN 17 CO 0.07 -0.25 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.23 2vvj s VAL 18 N 2.61 1.93 -2.03 -5.21 1.01 -0.84 -1.06 120.40 116.81 2vvj s VAL 18 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2vvj s VAL 18 Cb -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2vvj s VAL 18 CO -0.14 0.53 0.00 -3.20 0.00 0.00 0.00 175.10 172.29 2vvj n ASN 19 N 3.63 -5.53 0.00 3.32 5.15 -0.75 -0.49 115.26 120.59 2vvj n ASN 19 Ca -0.20 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2vvj n ASN 19 Cb 0.53 -4.79 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 2vvj n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vvj n GLY 20 N -0.59 0.91 3.49 8.20 0.00 -1.26 -5.04 105.19 110.90 2vvj n GLY 20 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2vvj n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vvj s HIS 21 N -2.77 3.16 0.40 1.61 5.04 0.36 -5.06 115.29 118.03 2vvj s HIS 21 Ca 0.00 -0.32 -0.24 0.00 -1.54 0.00 0.00 55.06 52.96 2vvj s HIS 21 Cb 0.00 -2.93 -0.09 0.00 0.04 0.00 0.00 32.58 29.61 2vvj s HIS 21 CO 0.00 -0.70 1.06 -1.58 -2.34 0.00 0.00 174.74 171.17 2vvj s HIS 22 N 2.20 3.24 0.09 3.88 2.46 -1.26 -1.98 115.29 123.92 2vvj s HIS 22 Ca 0.13 1.63 -0.16 0.00 0.47 0.00 0.00 55.06 57.14 2vvj s HIS 22 Cb -0.17 -3.14 0.03 0.00 -0.13 0.00 0.00 32.58 29.17 2vvj s HIS 22 CO 0.14 -0.68 0.37 -0.59 -2.47 0.00 0.00 174.74 171.51 2vvj s PHE 23 N -1.66 -0.17 -0.04 3.88 -0.12 -0.19 -4.26 117.98 115.42 2vvj s PHE 23 Ca 0.58 -0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.43 2vvj s PHE 23 Cb -0.22 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.37 2vvj s PHE 23 CO 0.28 -0.62 -0.09 0.08 -0.05 0.00 0.00 175.22 174.82 2vvj s VAL 24 N -3.28 0.81 -0.07 -2.49 1.01 -0.58 -1.48 120.40 114.32 2vvj s VAL 24 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2vvj s VAL 24 Cb 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.66 2vvj s VAL 24 CO -0.08 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.58 2vvj s ILE 25 N 0.47 0.86 -0.04 2.22 1.01 0.82 -0.26 121.20 126.29 2vvj s ILE 25 Ca -0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 2vvj s ILE 25 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2vvj s ILE 25 CO 0.01 0.31 0.18 -1.81 0.00 0.00 0.00 174.94 173.64 2vvj s ASP 26 N 1.19 6.40 -0.01 3.58 1.01 -0.23 -0.34 116.67 128.27 2vvj s ASP 26 Ca -0.06 0.42 0.01 0.00 0.71 0.00 0.00 52.55 53.64 2vvj s ASP 26 Cb -0.14 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.75 2vvj s ASP 26 CO -0.02 0.31 -0.05 -0.83 0.21 0.00 0.00 175.17 174.79 2vvj s GLY 27 N -1.61 0.28 -0.04 0.21 0.00 0.28 -0.67 107.32 105.77 2vvj s GLY 27 Ca 0.23 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.79 2vvj s GLY 27 CO 0.14 -0.05 -0.02 0.51 0.00 0.00 0.00 173.10 173.67 2vvj s ASP 28 N 0.10 0.71 0.02 1.64 -4.77 -0.56 -0.56 116.67 113.25 2vvj s ASP 28 Ca -0.01 -0.08 -0.01 0.00 -3.30 0.00 0.00 52.55 49.15 2vvj s ASP 28 Cb -0.05 -0.35 0.00 0.00 -1.09 0.00 0.00 42.92 41.44 2vvj s ASP 28 CO -0.00 -0.07 0.05 0.61 0.70 0.00 0.00 175.17 176.45 2vvj n GLY 29 N 4.08 1.69 3.11 2.12 0.00 -0.22 -0.56 105.19 115.41 2vvj n GLY 29 Ca -0.26 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2vvj n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vvj s THR 30 N -2.80 0.27 0.17 2.61 -4.23 -0.54 -0.05 115.64 111.06 2vvj s THR 30 Ca 0.01 -1.85 -0.24 0.00 -1.18 0.00 0.00 61.69 58.44 2vvj s THR 30 Cb -0.00 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.25 2vvj s THR 30 CO 0.01 -0.88 0.74 -0.83 -0.54 0.00 0.00 174.62 173.11 2vvj s GLY 31 N -2.96 -0.38 -0.41 3.99 0.00 -0.48 -0.47 107.32 106.62 2vvj s GLY 31 Ca 0.11 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2vvj s GLY 31 CO -0.07 0.09 0.17 0.54 0.00 0.00 0.00 173.10 173.83 2vvj s LYS 32 N -3.63 1.84 0.37 2.90 1.02 0.11 -1.29 119.74 121.06 2vvj s LYS 32 Ca 0.06 -1.95 0.05 0.00 0.02 0.00 0.00 55.97 54.16 2vvj s LYS 32 Cb -0.03 -3.44 0.73 0.00 -0.52 0.00 0.00 37.83 34.58 2vvj s LYS 32 CO -0.04 -1.03 1.99 -1.35 -0.92 0.00 0.00 175.35 174.00 2vvj h PRO 33 N 7.71 0.73 0.00 -1.68 0.11 -1.78 -1.49 132.00 135.60 2vvj h PRO 33 Ca -0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2vvj h PRO 33 Cb 1.02 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2vvj h PRO 33 CO 0.63 0.48 -0.15 0.74 -0.21 0.00 0.00 178.00 179.50 2vvj h PHE 34 N 0.75 0.00 -0.01 0.65 -1.00 -1.84 -3.01 116.94 112.48 2vvj h PHE 34 Ca 0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 2vvj h PHE 34 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 2vvj h PHE 34 CO -0.00 0.00 -0.45 0.39 -1.61 0.00 0.00 178.31 176.64 2vvj n GLU 35 N -2.97 0.75 -2.71 1.51 1.02 -0.93 -4.53 120.64 112.78 2vvj n GLU 35 Ca 0.04 -0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 56.49 2vvj n GLU 35 Cb 0.52 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 2vvj n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvj n GLY 36 N 1.41 -0.13 3.16 0.62 0.00 -0.61 -4.53 105.19 105.11 2vvj n GLY 36 Ca 0.09 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2vvj n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvj s LYS 37 N -5.25 1.25 0.01 1.61 1.02 -0.93 -0.76 119.74 116.69 2vvj s LYS 37 Ca 0.18 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.35 2vvj s LYS 37 Cb -0.08 -1.24 0.03 0.00 -0.52 0.00 0.00 37.83 36.02 2vvj s LYS 37 CO 0.23 0.33 0.33 1.14 -0.92 0.00 0.00 175.35 176.46 2vvj s GLN 38 N -0.64 0.75 0.04 1.68 -2.07 -0.88 0.06 119.66 118.61 2vvj s GLN 38 Ca 0.06 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.32 2vvj s GLN 38 Cb -0.07 0.33 -0.02 0.00 -1.09 0.00 0.00 33.01 32.16 2vvj s GLN 38 CO 0.00 -0.23 -0.08 -1.12 -1.32 0.00 0.00 175.29 172.54 2vvj s SER 39 N -1.63 0.87 -0.12 12.60 0.01 0.38 -1.73 113.70 124.08 2vvj s SER 39 Ca -0.10 -0.54 -0.10 0.00 1.31 0.00 0.00 55.95 56.52 2vvj s SER 39 Cb -0.03 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.26 2vvj s SER 39 CO 0.01 -0.20 0.31 -0.32 0.41 0.00 0.00 173.24 173.45 2vvj s MET 40 N -1.56 0.35 -0.21 12.44 0.00 0.07 -1.47 119.30 128.91 2vvj s MET 40 Ca -0.10 0.45 -0.15 0.00 0.00 0.00 0.00 55.69 55.89 2vvj s MET 40 Cb -0.10 0.15 -0.04 0.00 0.00 0.00 0.00 34.83 34.84 2vvj s MET 40 CO 0.00 -0.05 0.38 -0.51 0.00 0.00 0.00 175.02 174.84 2vvj s ASP 41 N 0.28 6.40 -0.01 1.11 1.01 0.28 -0.30 116.67 125.44 2vvj s ASP 41 Ca -0.01 0.47 0.05 0.00 0.71 0.00 0.00 52.55 53.76 2vvj s ASP 41 Cb -0.03 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 2vvj s ASP 41 CO -0.01 -0.08 -0.13 -0.76 0.21 0.00 0.00 175.17 174.40 2vvj s LEU 42 N 1.37 2.82 -0.05 1.23 1.43 0.16 -1.49 118.68 124.16 2vvj s LEU 42 Ca 0.18 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2vvj s LEU 42 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2vvj s LEU 42 CO 0.08 0.30 0.02 -0.70 0.23 0.00 0.00 176.35 176.28 2vvj s GLU 43 N -1.13 0.23 -0.33 1.70 2.12 0.15 -1.44 118.70 120.01 2vvj s GLU 43 Ca 0.14 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 2vvj s GLU 43 Cb -0.11 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.65 2vvj s GLU 43 CO 0.04 -0.26 1.45 0.08 -0.54 0.00 0.00 175.26 176.03 2vvj s VAL 44 N 1.74 3.91 -0.08 3.70 1.01 -0.11 -1.06 120.40 129.50 2vvj s VAL 44 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 2vvj s VAL 44 Cb -0.13 -4.04 -0.29 0.00 0.00 0.00 0.00 36.38 31.93 2vvj s VAL 44 CO -0.03 -0.54 0.59 0.11 0.00 0.00 0.00 175.10 175.23 2vvj h LYS 45 N 10.40 0.30 -4.78 2.72 1.79 -0.97 -3.45 116.57 122.59 2vvj h LYS 45 Ca -0.29 -0.52 -0.36 0.00 -2.18 0.00 0.00 60.65 57.30 2vvj h LYS 45 Cb 1.12 0.19 -0.25 0.00 -1.58 0.00 0.00 32.23 31.71 2vvj h LYS 45 CO 1.05 1.25 -0.77 -1.21 -1.08 0.00 0.00 179.45 178.69 2vvj s GLU 46 N -2.52 0.67 0.00 3.15 2.02 -1.13 -4.85 118.70 116.05 2vvj s GLU 46 Ca -0.18 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2vvj s GLU 46 Cb 0.05 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.68 2vvj s GLU 46 CO 0.80 0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.64 2vvj n GLY 47 N 2.18 0.67 3.77 -1.39 0.00 -1.26 -1.53 105.19 107.62 2vvj n GLY 47 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2vvj n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvj s GLY 48 N -1.35 2.89 0.20 -0.02 0.00 -1.26 -3.53 107.32 104.25 2vvj s GLY 48 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.17 2vvj s GLY 48 CO 0.00 1.23 0.85 2.56 0.00 0.00 0.00 173.10 177.74 2vvj s PRO 49 N -1.95 4.70 0.22 2.90 0.04 -1.26 -5.11 135.00 134.54 2vvj s PRO 49 Ca 0.51 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 2vvj s PRO 49 Cb -0.25 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 2vvj s PRO 49 CO 0.32 0.55 1.55 -0.51 0.04 0.00 0.00 177.00 178.94 2vvj s LEU 50 N -1.15 4.37 -0.00 -3.56 1.43 -1.23 -4.90 118.68 113.64 2vvj s LEU 50 Ca 0.38 2.72 0.05 0.00 -1.03 0.00 0.00 54.13 56.26 2vvj s LEU 50 Cb -0.24 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.53 2vvj s LEU 50 CO 0.29 -0.82 1.11 -0.81 0.23 0.00 0.00 176.35 176.35 2vvj n PRO 51 N 3.15 1.46 -4.22 1.29 -0.04 -1.26 -4.87 135.00 130.52 2vvj n PRO 51 Ca 0.11 -0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2vvj n PRO 51 Cb 0.38 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 2vvj n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vvj s PHE 52 N -1.73 1.10 -0.02 0.54 -0.12 -1.26 -4.67 117.98 111.81 2vvj s PHE 52 Ca 0.12 -0.94 -0.33 0.00 -0.05 0.00 0.00 56.93 55.73 2vvj s PHE 52 Cb 0.07 -0.62 -0.12 0.00 -0.63 0.00 0.00 43.02 41.72 2vvj s PHE 52 CO 0.08 -0.15 1.85 0.00 -0.05 0.00 0.00 175.22 176.96 2vvj n ALA 53 N -0.16 1.13 0.25 1.99 0.00 0.22 -4.87 120.51 119.06 2vvj n ALA 53 Ca -0.09 0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2vvj n ALA 53 Cb 0.62 -2.51 0.63 0.00 0.00 0.00 0.00 19.45 18.19 2vvj n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vvj h PHE 54 N 8.93 0.00 -0.97 0.00 3.57 -1.94 -3.06 116.94 123.47 2vvj h PHE 54 Ca -0.48 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.21 2vvj h PHE 54 Cb 1.26 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.91 2vvj h PHE 54 CO 0.85 0.10 0.61 -0.44 -2.23 0.00 0.00 178.31 177.20 2vvj h ASP 55 N 0.00 0.64 0.21 0.41 3.32 -1.96 -1.63 116.42 117.41 2vvj h ASP 55 Ca -0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2vvj h ASP 55 Cb 0.18 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2vvj h ASP 55 CO 0.01 0.25 -0.03 0.16 -1.72 0.00 0.00 179.24 177.91 2vvj h ILE 56 N 0.63 0.29 0.00 0.35 3.07 -1.94 -2.58 117.51 117.33 2vvj h ILE 56 Ca 0.53 -0.20 -0.10 0.00 1.55 0.00 0.00 64.86 66.64 2vvj h ILE 56 Cb 0.99 1.15 -0.02 0.00 -0.27 0.00 0.00 36.82 38.67 2vvj h ILE 56 CO -0.29 0.03 -0.91 -0.07 -1.05 0.00 0.00 178.15 175.86 2vvj h LEU 57 N 0.00 0.00 -1.11 0.16 3.38 -1.51 -3.42 115.31 112.81 2vvj h LEU 57 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vvj h LEU 57 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2vvj h LEU 57 CO 0.00 0.38 0.53 0.71 0.09 0.00 0.00 178.44 180.15 2vvj h THR 58 N 0.00 1.23 0.00 0.22 1.35 -1.49 -0.32 112.91 113.90 2vvj h THR 58 Ca -0.07 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2vvj h THR 58 Cb 1.35 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2vvj h THR 58 CO 0.04 0.23 0.00 0.35 -0.25 0.00 0.00 175.52 175.89 2vvj n THR 59 N -4.38 0.80 -3.09 6.82 -2.24 -1.26 -5.10 114.28 105.83 2vvj n THR 59 Ca 0.09 0.19 -0.45 0.00 -2.27 0.00 0.00 64.05 61.61 2vvj n THR 59 Cb 0.05 -0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 2vvj n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vvj s ALA 60 N -3.05 4.01 -0.30 6.98 0.00 -0.14 -5.14 121.76 124.12 2vvj s ALA 60 Ca 0.08 -3.30 -0.11 0.00 0.00 0.00 0.00 51.96 48.63 2vvj s ALA 60 Cb 0.11 -3.89 0.18 0.00 0.00 0.00 0.00 23.12 19.53 2vvj s ALA 60 CO 0.34 -2.62 1.01 1.21 0.00 0.00 0.00 175.76 175.70 2vvj s ASN 65 N 2.61 -0.52 0.00 0.00 3.84 -1.26 -4.98 114.94 114.63 2vvj s ASN 65 Ca 0.33 0.17 0.17 0.00 0.21 0.00 0.00 52.86 53.74 2vvj s ASN 65 Cb -0.06 1.37 1.03 0.00 -0.55 0.00 0.00 41.25 43.04 2vvj s ASN 65 CO -0.06 -0.10 1.52 -1.14 -2.79 0.00 0.00 177.10 174.53 2vvj n ARG 66 N 5.29 0.78 -0.22 0.43 3.00 -1.26 -1.90 116.66 122.78 2vvj n ARG 66 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.86 2vvj n ARG 66 Cb 0.56 -1.35 0.20 0.00 0.00 0.00 0.00 32.46 31.87 2vvj n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2vvj h VAL 67 N 0.00 1.22 -0.51 5.15 2.07 -1.95 -3.25 116.25 118.98 2vvj h VAL 67 Ca 0.00 -0.55 -0.72 0.00 0.82 0.00 0.00 66.70 66.25 2vvj h VAL 67 Cb 0.00 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 2vvj h VAL 67 CO 0.00 0.24 2.81 0.49 0.02 0.00 0.00 177.57 181.13 2vvj n PHE 68 N -4.36 3.17 -3.73 1.57 3.01 -0.80 -4.69 117.46 111.63 2vvj n PHE 68 Ca 0.07 -2.92 -0.12 0.00 1.01 0.00 0.00 57.45 55.49 2vvj n PHE 68 Cb 0.10 -2.31 -0.12 0.00 -0.01 0.00 0.00 39.48 37.14 2vvj n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vvj s ALA 69 N 1.94 -0.79 -0.46 4.37 0.00 -1.23 -4.32 121.76 121.28 2vvj s ALA 69 Ca 0.47 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 53.26 2vvj s ALA 69 Cb 0.13 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2vvj s ALA 69 CO -0.06 -0.20 1.41 -2.00 0.00 0.00 0.00 175.76 174.91 2vvj s GLU 70 N 0.88 3.49 -0.21 0.00 2.12 0.01 -4.49 118.70 120.50 2vvj s GLU 70 Ca -0.06 0.77 -0.11 0.00 0.36 0.00 0.00 54.97 55.94 2vvj s GLU 70 Cb -0.07 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 2vvj s GLU 70 CO -0.06 -1.68 0.16 0.71 -0.54 0.00 0.00 175.26 173.84 2vvj s TYR 71 N 5.63 3.38 0.66 5.30 1.51 -1.26 -0.39 117.35 132.18 2vvj s TYR 71 Ca 0.58 0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 56.84 2vvj s TYR 71 Cb -0.12 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2vvj s TYR 71 CO 0.30 0.20 1.06 -1.25 -1.11 0.00 0.00 175.55 174.75 2vvj s PRO 72 N 0.65 3.25 0.53 -1.71 0.04 -1.26 -4.97 135.00 131.53 2vvj s PRO 72 Ca 0.09 0.64 0.21 0.00 0.04 0.00 0.00 61.00 61.98 2vvj s PRO 72 Cb -0.12 -2.05 1.37 0.00 0.04 0.00 0.00 34.50 33.74 2vvj s PRO 72 CO 0.01 -0.80 2.09 -0.44 0.04 0.00 0.00 177.00 177.90 2vvj h ASP 73 N -0.48 0.00 -0.01 6.66 3.32 -1.99 -2.33 116.42 121.59 2vvj h ASP 73 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2vvj h ASP 73 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2vvj h ASP 73 CO 0.62 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 2vvj n HIS 74 N -4.39 0.01 -5.01 4.55 1.44 -1.26 -4.76 115.22 105.79 2vvj n HIS 74 Ca 0.02 -0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 2vvj n HIS 74 Cb 0.31 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.25 2vvj n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2vvj s ILE 75 N -1.99 1.82 0.10 0.61 1.01 -0.88 -5.08 121.20 116.79 2vvj s ILE 75 Ca 0.43 -0.88 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 2vvj s ILE 75 Cb 0.21 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.99 2vvj s ILE 75 CO 0.35 0.51 1.82 -1.58 0.00 0.00 0.00 174.94 176.03 2vvj s GLN 76 N 0.46 4.15 -0.95 2.79 2.00 -1.26 -4.69 119.66 122.15 2vvj s GLN 76 Ca -0.17 2.56 -0.15 0.00 -2.00 0.00 0.00 55.36 55.60 2vvj s GLN 76 Cb -0.17 -3.67 0.20 0.00 0.80 0.00 0.00 33.01 30.16 2vvj s GLN 76 CO 0.07 -0.84 1.02 0.34 -0.50 0.00 0.00 175.29 175.37 2vvj s ASP 77 N 2.90 6.86 0.39 6.67 -1.08 -1.26 -4.69 116.67 126.46 2vvj s ASP 77 Ca 0.81 -2.70 0.11 0.00 -0.52 0.00 0.00 52.55 50.25 2vvj s ASP 77 Cb -0.45 -2.29 0.91 0.00 -1.46 0.00 0.00 42.92 39.64 2vvj s ASP 77 CO 0.36 -0.69 1.91 0.22 0.52 0.00 0.00 175.17 177.50 2vvj h TYR 78 N 7.82 0.64 0.16 -5.34 3.20 -1.92 -2.42 116.97 119.11 2vvj h TYR 78 Ca 0.16 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.80 2vvj h TYR 78 Cb 0.99 -0.21 0.03 0.00 1.54 0.00 0.00 36.73 39.08 2vvj h TYR 78 CO 1.04 0.27 -1.07 0.74 -1.64 0.00 0.00 178.16 177.49 2vvj h PHE 79 N 0.57 0.77 0.00 -3.82 -1.00 -1.90 -2.70 116.94 108.85 2vvj h PHE 79 Ca 0.38 -0.53 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 2vvj h PHE 79 Cb 0.68 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 2vvj h PHE 79 CO -0.00 1.40 -0.34 0.87 -1.61 0.00 0.00 178.31 178.63 2vvj h LYS 80 N -0.08 0.00 -0.00 1.51 1.57 -1.87 -2.68 116.57 115.02 2vvj h LYS 80 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2vvj h LYS 80 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2vvj h LYS 80 CO 0.20 0.34 -0.00 1.04 -0.57 0.00 0.00 179.45 180.46 2vvj n GLN 81 N -3.45 0.46 0.00 3.15 1.13 -0.92 -3.57 117.38 114.17 2vvj n GLN 81 Ca 0.00 -0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 2vvj n GLN 81 Cb 0.51 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 29.80 2vvj n GLN 81 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2vvj n SER 82 N -1.27 0.58 -4.80 1.08 7.64 -1.01 -4.93 113.62 110.92 2vvj n SER 82 Ca 0.15 -0.44 -0.24 0.00 1.01 0.00 0.00 58.87 59.35 2vvj n SER 82 Cb 0.24 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 2vvj n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2vvj s PHE 83 N -2.70 3.10 0.01 1.43 0.40 -1.23 0.06 117.98 119.05 2vvj s PHE 83 Ca 0.21 -0.07 0.26 0.00 -0.60 0.00 0.00 56.93 56.72 2vvj s PHE 83 Cb 0.19 -1.44 0.87 0.00 0.51 0.00 0.00 43.02 43.14 2vvj s PHE 83 CO 0.56 0.52 1.80 -1.00 0.70 0.00 0.00 175.22 177.80 2vvj h PRO 84 N 1.95 0.00 -0.72 0.24 0.13 -1.91 -3.46 132.00 128.23 2vvj h PRO 84 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2vvj h PRO 84 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2vvj h PRO 84 CO 0.62 0.16 0.46 0.87 -0.23 0.00 0.00 178.00 179.88 2vvj h LYS 85 N 0.00 0.96 0.00 0.86 1.57 -1.93 -3.35 116.57 114.68 2vvj h LYS 85 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2vvj h LYS 85 Cb 0.79 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2vvj h LYS 85 CO 0.02 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 2vvj n GLY 86 N -1.39 -1.39 3.65 3.86 0.00 0.11 -4.71 105.19 105.32 2vvj n GLY 86 Ca 0.08 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 2vvj n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2vvj s TYR 87 N 0.00 0.25 0.08 1.61 1.13 -0.98 -1.30 117.35 118.14 2vvj s TYR 87 Ca 0.00 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.05 2vvj s TYR 87 Cb 0.00 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 2vvj s TYR 87 CO 0.00 -1.05 -0.09 -1.54 -2.51 0.00 0.00 175.55 170.35 2vvj s SER 88 N -3.00 1.26 0.07 -0.18 1.04 0.03 -1.06 113.70 111.86 2vvj s SER 88 Ca 0.20 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.92 2vvj s SER 88 Cb -0.02 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 2vvj s SER 88 CO 0.09 -0.26 -0.12 -1.66 0.98 0.00 0.00 173.24 172.27 2vvj s TRP 89 N -2.24 1.04 0.04 5.02 1.48 -0.65 -0.53 118.94 123.11 2vvj s TRP 89 Ca 0.02 -0.52 0.08 0.00 -1.06 0.00 0.00 56.10 54.62 2vvj s TRP 89 Cb -0.04 -0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 31.66 2vvj s TRP 89 CO -0.00 0.01 -0.22 -1.21 -4.06 0.00 0.00 176.95 171.46 2vvj s GLU 90 N -1.96 1.50 -0.02 3.25 2.02 -0.66 -1.67 118.70 121.16 2vvj s GLU 90 Ca -0.02 -0.98 -0.03 0.00 0.02 0.00 0.00 54.97 53.96 2vvj s GLU 90 Cb -0.08 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2vvj s GLU 90 CO 0.01 0.42 0.07 0.50 0.02 0.00 0.00 175.26 176.28 2vvj s ARG 91 N -1.19 0.16 -0.06 1.61 3.52 0.52 -1.08 118.95 122.43 2vvj s ARG 91 Ca 0.09 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 2vvj s ARG 91 Cb -0.09 0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.35 2vvj s ARG 91 CO 0.02 -0.03 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.72 2vvj s SER 92 N -0.32 3.37 -0.25 -2.12 1.04 -0.38 -0.75 113.70 114.29 2vvj s SER 92 Ca -0.04 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 55.96 2vvj s SER 92 Cb -0.03 -0.92 0.04 0.00 0.10 0.00 0.00 66.02 65.22 2vvj s SER 92 CO 0.00 0.26 -0.08 -0.76 0.98 0.00 0.00 173.24 173.64 2vvj s LEU 93 N -0.22 3.26 -0.40 2.42 1.43 0.16 -1.79 118.68 123.53 2vvj s LEU 93 Ca -0.01 -1.06 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 2vvj s LEU 93 Cb -0.13 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.54 2vvj s LEU 93 CO 0.03 -0.15 0.22 -0.89 0.23 0.00 0.00 176.35 175.79 2vvj s THR 94 N 1.25 4.01 0.36 5.49 2.01 0.22 -0.79 115.64 128.18 2vvj s THR 94 Ca -0.03 -1.45 -0.12 0.00 0.31 0.00 0.00 61.69 60.41 2vvj s THR 94 Cb -0.18 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2vvj s THR 94 CO -0.05 -0.47 0.73 -0.36 -0.69 0.00 0.00 174.62 173.78 2vvj s PHE 95 N 1.38 3.43 0.11 4.92 0.40 -0.09 -0.70 117.98 127.42 2vvj s PHE 95 Ca 0.03 1.08 0.34 0.00 -0.60 0.00 0.00 56.93 57.77 2vvj s PHE 95 Cb -0.22 -2.45 1.54 0.00 0.51 0.00 0.00 43.02 42.40 2vvj s PHE 95 CO 0.01 0.01 2.00 1.05 0.70 0.00 0.00 175.22 178.99 2vvj h GLU 96 N 1.74 0.00 -0.65 0.44 4.11 -1.61 -2.26 114.58 116.35 2vvj h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2vvj h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2vvj h GLU 96 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2vvj n ASP 97 N -2.87 4.92 0.00 3.06 5.75 -1.26 -4.93 116.55 121.21 2vvj n ASP 97 Ca -0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2vvj n ASP 97 Cb 0.22 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2vvj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vvj n GLY 98 N 1.04 0.67 3.72 6.12 0.00 -0.85 -4.69 105.19 111.20 2vvj n GLY 98 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2vvj n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvj s GLY 99 N -2.04 1.44 -0.06 -0.02 0.00 -1.21 -4.74 107.32 100.69 2vvj s GLY 99 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.22 2vvj s GLY 99 CO 0.00 2.74 -0.06 -0.42 0.00 0.00 0.00 173.10 175.36 2vvj s ILE 100 N 1.05 0.74 0.04 0.90 1.01 -0.50 -0.91 121.20 123.52 2vvj s ILE 100 Ca 0.72 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.23 2vvj s ILE 100 Cb -0.47 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2vvj s ILE 100 CO 0.33 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 175.39 2vvj s ILE 102 N -0.94 2.08 0.01 0.00 -5.25 0.43 0.36 121.20 117.89 2vvj s ILE 102 Ca 0.15 -1.62 -0.11 0.00 -0.99 0.00 0.00 60.65 58.08 2vvj s ILE 102 Cb -0.11 -1.84 0.01 0.00 2.95 0.00 0.00 42.46 43.48 2vvj s ILE 102 CO 0.06 0.11 0.23 0.00 -1.79 0.00 0.00 174.94 173.54 2vvj s ALA 103 N -1.02 -0.52 0.02 2.27 0.00 0.07 -0.83 121.76 121.74 2vvj s ALA 103 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2vvj s ALA 103 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 2vvj s ALA 103 CO 0.05 -0.28 -0.05 1.03 0.00 0.00 0.00 175.76 176.51 2vvj s ARG 104 N -1.74 0.39 -0.05 0.00 0.52 -0.06 -0.35 118.95 117.66 2vvj s ARG 104 Ca -0.11 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2vvj s ARG 104 Cb -0.05 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.23 2vvj s ARG 104 CO 0.01 0.05 0.09 1.21 0.02 0.00 0.00 175.30 176.67 2vvj s ASN 105 N -0.90 0.50 -0.33 0.23 2.47 -0.67 -0.82 114.94 115.42 2vvj s ASN 105 Ca -0.06 0.16 -0.12 0.00 0.42 0.00 0.00 52.86 53.27 2vvj s ASN 105 Cb -0.06 0.03 -0.01 0.00 -1.45 0.00 0.00 41.25 39.76 2vvj s ASN 105 CO -0.00 -0.19 0.21 -1.81 -3.72 0.00 0.00 177.10 171.58 2vvj s ASP 106 N 1.68 5.86 -0.26 -4.21 1.01 -0.70 -1.63 116.67 118.42 2vvj s ASP 106 Ca -0.02 -0.49 -0.07 0.00 0.71 0.00 0.00 52.55 52.68 2vvj s ASP 106 Cb -0.12 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 2vvj s ASP 106 CO -0.04 -0.23 0.06 -0.63 0.21 0.00 0.00 175.17 174.53 2vvj s ILE 107 N 1.67 4.03 0.42 0.77 1.01 -0.22 -2.02 121.20 126.86 2vvj s ILE 107 Ca 0.05 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.33 2vvj s ILE 107 Cb -0.17 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 2vvj s ILE 107 CO 0.09 0.25 0.02 0.42 0.00 0.00 0.00 174.94 175.72 2vvj s THR 108 N 1.55 1.62 -0.02 2.92 -4.23 -0.69 -2.32 115.64 114.48 2vvj s THR 108 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2vvj s THR 108 Cb -0.16 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.95 2vvj s THR 108 CO 0.02 0.00 0.02 -0.32 -0.54 0.00 0.00 174.62 173.80 2vvj s MET 109 N -3.77 -0.01 -0.16 3.99 1.75 -1.26 -0.64 119.30 119.20 2vvj s MET 109 Ca 0.29 0.15 -0.04 0.00 -1.25 0.00 0.00 55.69 54.84 2vvj s MET 109 Cb 0.08 -0.23 0.06 0.00 2.84 0.00 0.00 34.83 37.57 2vvj s MET 109 CO 0.14 -0.14 0.06 -1.21 -0.65 0.00 0.00 175.02 173.22 2vvj s GLU 110 N 0.90 0.36 7.97 4.11 2.02 -0.65 -4.95 118.70 128.46 2vvj s GLU 110 Ca -0.08 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2vvj s GLU 110 Cb -0.11 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.32 2vvj s GLU 110 CO -0.02 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2vvj n GLY 111 N 5.17 3.34 1.35 -1.39 0.00 -1.26 -2.40 105.19 110.01 2vvj n GLY 111 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.81 2vvj n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vvj n ASP 112 N 8.89 3.99 -4.16 1.61 5.75 -1.26 -4.96 116.55 126.41 2vvj n ASP 112 Ca 0.00 -3.24 -0.29 0.00 -0.01 0.00 0.00 54.79 51.25 2vvj n ASP 112 Cb 0.00 -0.64 -0.17 0.00 -1.03 0.00 0.00 41.12 39.29 2vvj n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2vvj s THR 113 N -2.97 1.72 0.03 2.12 2.01 -1.01 0.17 115.64 117.71 2vvj s THR 113 Ca 0.48 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 2vvj s THR 113 Cb 0.39 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 2vvj s THR 113 CO 0.09 0.48 0.55 -0.36 -0.69 0.00 0.00 174.62 174.69 2vvj s PHE 114 N 0.29 3.75 -0.11 4.92 0.08 0.18 -1.63 117.98 125.45 2vvj s PHE 114 Ca -0.13 1.19 0.01 0.00 0.12 0.00 0.00 56.93 58.12 2vvj s PHE 114 Cb -0.16 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2vvj s PHE 114 CO 0.06 0.51 -0.13 0.71 -0.10 0.00 0.00 175.22 176.27 2vvj s TYR 115 N -0.78 2.79 -0.22 0.36 1.51 0.19 -0.52 117.35 120.69 2vvj s TYR 115 Ca 0.28 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2vvj s TYR 115 Cb -0.18 -1.79 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2vvj s TYR 115 CO 0.17 -0.10 -0.13 -0.80 -1.11 0.00 0.00 175.55 173.59 2vvj s ASN 116 N 0.05 3.75 -0.61 2.29 0.01 -0.30 -1.70 114.94 118.43 2vvj s ASN 116 Ca -0.05 -1.03 -0.15 0.00 -0.71 0.00 0.00 52.86 50.92 2vvj s ASN 116 Cb -0.14 -1.42 0.15 0.00 0.41 0.00 0.00 41.25 40.25 2vvj s ASN 116 CO 0.04 -0.13 0.56 -0.75 -1.51 0.00 0.00 177.10 175.32 2vvj s LYS 117 N 1.25 3.13 -0.09 -0.60 2.20 -0.86 -1.29 119.74 123.48 2vvj s LYS 117 Ca -0.03 -1.91 -0.03 0.00 -0.36 0.00 0.00 55.97 53.64 2vvj s LYS 117 Cb -0.17 -4.32 -0.03 0.00 -1.51 0.00 0.00 37.83 31.80 2vvj s LYS 117 CO -0.08 -1.31 0.03 0.08 -0.36 0.00 0.00 175.35 173.71 2vvj s VAL 118 N 1.21 4.60 -0.02 4.02 1.01 -0.08 -1.72 120.40 129.42 2vvj s VAL 118 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2vvj s VAL 118 Cb -0.25 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2vvj s VAL 118 CO -0.00 0.61 -0.14 -0.13 0.00 0.00 0.00 175.10 175.44 2vvj s ARG 119 N -0.90 1.19 -0.04 2.72 1.81 0.00 -1.68 118.95 122.05 2vvj s ARG 119 Ca 0.13 -0.48 -0.02 0.00 -1.72 0.00 0.00 55.73 53.65 2vvj s ARG 119 Cb -0.11 -1.12 0.03 0.00 -0.45 0.00 0.00 34.95 33.30 2vvj s ARG 119 CO 0.03 0.26 0.07 0.12 -0.68 0.00 0.00 175.30 175.10 2vvj s PHE 120 N -0.19 -0.00 -0.04 -0.53 2.19 -0.90 -0.88 117.98 117.63 2vvj s PHE 120 Ca 0.03 0.29 0.02 0.00 0.33 0.00 0.00 56.93 57.60 2vvj s PHE 120 Cb -0.07 -0.34 0.01 0.00 -1.31 0.00 0.00 43.02 41.31 2vvj s PHE 120 CO -0.00 -0.17 -0.09 -1.01 1.83 0.00 0.00 175.22 175.78 2vvj s HIS 121 N 1.76 1.06 -0.02 10.12 3.76 -0.01 -1.16 115.29 130.80 2vvj s HIS 121 Ca -0.01 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 2vvj s HIS 121 Cb -0.12 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.80 2vvj s HIS 121 CO -0.04 -0.15 -0.05 0.20 -0.85 0.00 0.00 174.74 173.85 2vvj s GLY 122 N 0.37 0.34 0.14 -2.22 0.00 -0.22 -0.43 107.32 105.30 2vvj s GLY 122 Ca -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.51 2vvj s GLY 122 CO 0.01 0.03 -0.03 -1.34 0.00 0.00 0.00 173.10 171.77 2vvj s VAL 123 N 0.25 0.70 -1.60 1.40 -7.23 -0.18 -1.81 120.40 111.94 2vvj s VAL 123 Ca -0.03 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2vvj s VAL 123 Cb -0.07 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2vvj s VAL 123 CO -0.00 -0.65 0.00 0.59 -0.31 0.00 0.00 175.10 174.73 2vvj n ASN 124 N -0.15 -4.97 -4.68 4.85 3.02 -1.26 -1.41 115.26 110.65 2vvj n ASN 124 Ca -0.09 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 2vvj n ASN 124 Cb 0.62 -4.01 -0.02 0.00 -0.61 0.00 0.00 39.78 35.75 2vvj n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2vvj s PHE 125 N -2.73 3.22 0.42 3.10 0.08 -1.26 -3.32 117.98 117.49 2vvj s PHE 125 Ca 0.00 1.31 -0.26 0.00 0.12 0.00 0.00 56.93 58.09 2vvj s PHE 125 Cb 0.00 -3.36 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 2vvj s PHE 125 CO 0.00 -0.99 1.45 -2.30 -0.10 0.00 0.00 175.22 173.28 2vvj n PRO 126 N 5.68 2.39 -0.29 0.24 -0.02 -1.26 -4.91 135.00 136.84 2vvj n PRO 126 Ca 0.11 0.85 0.03 0.00 -2.02 0.00 0.00 63.50 62.46 2vvj n PRO 126 Cb 0.46 -2.63 0.23 0.00 -0.02 0.00 0.00 33.50 31.54 2vvj n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vvj h ALA 127 N 2.52 1.48 -0.62 3.55 0.00 -1.99 -1.66 119.26 122.54 2vvj h ALA 127 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2vvj h ALA 127 Cb 1.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2vvj h ALA 127 CO 0.62 0.41 0.00 0.09 0.00 0.00 0.00 179.25 180.37 2vvj n ASN 128 N -4.46 4.65 -4.85 0.00 3.02 -1.26 -4.35 115.26 108.01 2vvj n ASN 128 Ca 0.12 -2.45 -0.30 0.00 -0.03 0.00 0.00 54.58 51.92 2vvj n ASN 128 Cb 0.14 -0.58 0.05 0.00 -0.61 0.00 0.00 39.78 38.79 2vvj n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2vvj s GLY 129 N -0.86 1.64 0.57 7.41 0.00 -0.62 -4.85 107.32 110.60 2vvj s GLY 129 Ca 0.49 -0.22 0.26 0.00 0.00 0.00 0.00 44.72 45.25 2vvj s GLY 129 CO 0.23 0.14 2.23 -0.56 0.00 0.00 0.00 173.10 175.14 2vvj h PRO 130 N -0.74 0.00 0.12 2.90 0.13 -1.93 -0.93 132.00 131.54 2vvj h PRO 130 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2vvj h PRO 130 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2vvj h PRO 130 CO 0.61 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 178.61 2vvj h VAL 131 N 0.00 0.96 0.00 1.56 2.07 -1.93 0.29 116.25 119.21 2vvj h VAL 131 Ca -0.00 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.12 2vvj h VAL 131 Cb 0.01 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2vvj h VAL 131 CO 0.00 0.26 -0.50 0.24 0.02 0.00 0.00 177.57 177.60 2vvj h MET 132 N -0.86 0.00 -0.01 1.57 2.86 -1.76 0.73 114.93 117.47 2vvj h MET 132 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2vvj h MET 132 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2vvj h MET 132 CO 0.03 0.50 -0.03 1.04 1.06 0.00 0.00 176.91 179.50 2vvj n GLN 133 N -3.92 1.30 -3.65 1.72 1.13 -0.37 -4.64 117.38 108.96 2vvj n GLN 133 Ca -0.01 -0.57 -0.24 0.00 -1.94 0.00 0.00 57.00 54.24 2vvj n GLN 133 Cb 0.52 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.42 2vvj n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vvj n LYS 134 N -0.35 -3.29 -0.38 -1.09 5.02 -0.82 -4.92 118.16 112.33 2vvj n LYS 134 Ca 0.19 0.59 0.08 0.00 -2.02 0.00 0.00 58.31 57.15 2vvj n LYS 134 Cb 0.28 -4.90 0.25 0.00 -0.02 0.00 0.00 35.03 30.63 2vvj n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vvj n LYS 135 N -4.10 3.13 -3.17 1.97 4.76 0.97 -4.98 118.16 116.73 2vvj n LYS 135 Ca -0.21 -2.53 -0.34 0.00 -2.87 0.00 0.00 58.31 52.37 2vvj n LYS 135 Cb 0.64 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 2vvj n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vvj s THR 136 N -1.64 4.67 -0.16 -0.18 -4.23 -1.25 -1.45 115.64 111.40 2vvj s THR 136 Ca 0.38 1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 61.84 2vvj s THR 136 Cb 0.24 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 2vvj s THR 136 CO 0.18 0.01 -0.20 0.18 -0.54 0.00 0.00 174.62 174.26 2vvj n LEU 137 N 0.17 1.39 -3.52 4.79 4.77 0.12 -4.86 117.00 119.86 2vvj n LEU 137 Ca 0.00 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2vvj n LEU 137 Cb 0.52 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2vvj n LEU 137 CO 0.42 0.40 0.73 -1.59 -1.33 0.00 0.00 177.39 176.02 2vvj s LYS 138 N -2.30 0.75 0.16 3.23 -2.85 -1.22 -4.99 119.74 112.53 2vvj s LYS 138 Ca -0.22 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.19 2vvj s LYS 138 Cb 0.08 0.35 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2vvj s LYS 138 CO 0.29 -0.32 1.08 -1.58 0.10 0.00 0.00 175.35 174.92 2vvj s TRP 139 N -2.92 3.63 0.60 1.78 0.52 -1.26 0.19 118.94 121.47 2vvj s TRP 139 Ca 0.05 1.62 -0.16 0.00 0.02 0.00 0.00 56.10 57.64 2vvj s TRP 139 Cb -0.01 -3.24 -0.03 0.00 -1.15 0.00 0.00 33.47 29.04 2vvj s TRP 139 CO -0.08 -0.49 1.06 -1.21 0.02 0.00 0.00 176.95 176.25 2vvj s GLU 140 N -0.25 3.24 0.46 4.98 0.41 -0.07 -4.73 118.70 122.73 2vvj s GLU 140 Ca 0.49 1.23 -0.24 0.00 -0.41 0.00 0.00 54.97 56.04 2vvj s GLU 140 Cb -0.28 -2.02 -0.09 0.00 -1.78 0.00 0.00 34.13 29.96 2vvj s GLU 140 CO 0.34 -0.88 1.17 -2.30 -0.49 0.00 0.00 175.26 173.10 2vvj n PRO 141 N -2.10 1.61 -4.19 0.39 -0.02 -1.26 -4.75 135.00 124.68 2vvj n PRO 141 Ca 0.09 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2vvj n PRO 141 Cb 0.53 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 2vvj n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2vvj s SER 142 N -0.73 0.79 -0.16 2.55 1.04 -0.40 -4.96 113.70 111.83 2vvj s SER 142 Ca 0.65 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2vvj s SER 142 Cb -0.50 0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.85 2vvj s SER 142 CO 0.55 -0.64 -0.11 -0.89 0.98 0.00 0.00 173.24 173.13 2vvj s THR 143 N -3.84 1.45 0.02 2.02 2.01 -1.26 0.42 115.64 116.46 2vvj s THR 143 Ca 0.23 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.31 2vvj s THR 143 Cb 0.07 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2vvj s THR 143 CO 0.02 0.32 0.71 -0.70 -0.69 0.00 0.00 174.62 174.29 2vvj s GLU 144 N 1.52 4.44 -0.37 4.92 2.12 0.79 -4.57 118.70 127.55 2vvj s GLU 144 Ca 0.03 0.96 -0.14 0.00 0.36 0.00 0.00 54.97 56.18 2vvj s GLU 144 Cb -0.14 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.89 2vvj s GLU 144 CO -0.09 0.30 0.26 0.15 -0.54 0.00 0.00 175.26 175.34 2vvj s LYS 145 N -0.05 3.21 -0.22 4.30 3.01 -0.32 -0.53 119.74 129.13 2vvj s LYS 145 Ca 0.36 -0.85 -0.10 0.00 -1.01 0.00 0.00 55.97 54.37 2vvj s LYS 145 Cb -0.20 -3.87 -0.05 0.00 -1.01 0.00 0.00 37.83 32.70 2vvj s LYS 145 CO 0.21 -0.60 0.15 -1.64 0.51 0.00 0.00 175.35 173.98 2vvj s MET 146 N 1.69 4.14 0.15 1.68 -1.94 0.09 -1.44 119.30 123.67 2vvj s MET 146 Ca 0.05 -0.23 -0.17 0.00 -1.71 0.00 0.00 55.69 53.63 2vvj s MET 146 Cb -0.18 -3.47 0.04 0.00 2.01 0.00 0.00 34.83 33.22 2vvj s MET 146 CO 0.10 0.19 0.47 1.52 -0.01 0.00 0.00 175.02 177.29 2vvj s TYR 147 N 0.67 -0.21 -0.11 -0.03 -0.85 0.29 -1.94 117.35 115.18 2vvj s TYR 147 Ca 0.08 -0.11 -0.18 0.00 -0.52 0.00 0.00 57.07 56.35 2vvj s TYR 147 Cb -0.12 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 2vvj s TYR 147 CO 0.01 -0.80 0.46 0.08 -1.52 0.00 0.00 175.55 173.78 2vvj s VAL 148 N -3.82 5.18 -0.04 -3.49 1.01 -1.26 0.77 120.40 118.74 2vvj s VAL 148 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2vvj s VAL 148 Cb 0.01 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2vvj s VAL 148 CO -0.09 0.35 -0.02 -0.60 0.00 0.00 0.00 175.10 174.75 2vvj s ARG 149 N 0.46 0.57 -1.36 2.72 6.06 0.16 -4.88 118.95 122.67 2vvj s ARG 149 Ca 0.25 0.02 -0.11 0.00 -2.50 0.00 0.00 55.73 53.39 2vvj s ARG 149 Cb -0.15 -0.73 0.01 0.00 0.06 0.00 0.00 34.95 34.14 2vvj s ARG 149 CO 0.10 -0.16 0.42 -3.47 -2.50 0.00 0.00 175.30 169.70 2vvj n ASP 150 N 4.36 -1.62 0.00 -2.12 2.03 -1.26 -1.41 116.55 116.53 2vvj n ASP 150 Ca -0.21 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2vvj n ASP 150 Cb 0.50 -2.40 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 2vvj n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vvj n GLY 151 N -2.13 0.34 3.10 0.27 0.00 -1.26 -4.99 105.19 100.53 2vvj n GLY 151 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2vvj n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvj s VAL 152 N -1.81 1.38 0.06 1.61 1.01 -0.50 -5.08 120.40 117.07 2vvj s VAL 152 Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 2vvj s VAL 152 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 2vvj s VAL 152 CO 0.00 0.40 1.56 -0.22 0.00 0.00 0.00 175.10 176.85 2vvj s LEU 153 N 0.26 4.35 -0.02 3.92 2.96 -1.25 -0.67 118.68 128.23 2vvj s LEU 153 Ca -0.08 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 2vvj s LEU 153 Cb -0.13 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2vvj s LEU 153 CO 0.03 -0.82 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.17 2vvj s THR 154 N 2.36 1.40 -0.16 3.68 2.01 0.23 -1.01 115.64 124.15 2vvj s THR 154 Ca 0.70 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2vvj s THR 154 Cb -0.38 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2vvj s THR 154 CO 0.31 0.40 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.64 2vvj s GLY 155 N -0.32 1.20 -0.10 4.40 0.00 0.60 -0.55 107.32 112.55 2vvj s GLY 155 Ca 0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 2vvj s GLY 155 CO -0.00 0.44 -0.04 0.99 0.00 0.00 0.00 173.10 174.49 2vvj s ASP 156 N 1.40 4.81 -0.04 1.64 1.01 -0.52 -0.72 116.67 124.26 2vvj s ASP 156 Ca 0.04 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.29 2vvj s ASP 156 Cb -0.13 -1.45 0.02 0.00 1.01 0.00 0.00 42.92 42.37 2vvj s ASP 156 CO -0.11 0.30 -0.06 -0.63 0.21 0.00 0.00 175.17 174.88 2vvj s ILE 157 N -0.41 0.57 -0.63 0.77 1.01 -0.12 -1.18 121.20 121.22 2vvj s ILE 157 Ca 0.06 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 2vvj s ILE 157 Cb -0.12 -0.57 0.06 0.00 0.01 0.00 0.00 42.46 41.84 2vvj s ILE 157 CO 0.02 0.22 1.00 -0.89 0.00 0.00 0.00 174.94 175.29 2vvj s THR 158 N 0.65 4.26 0.19 2.92 2.01 -1.26 -1.48 115.64 122.93 2vvj s THR 158 Ca -0.09 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2vvj s THR 158 Cb -0.12 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 2vvj s THR 158 CO 0.00 -1.40 0.11 -0.04 -0.69 0.00 0.00 174.62 172.61 2vvj s MET 159 N 4.25 2.77 -0.11 4.92 1.00 0.27 -4.77 119.30 127.64 2vvj s MET 159 Ca 0.27 -0.98 -0.05 0.00 0.00 0.00 0.00 55.69 54.93 2vvj s MET 159 Cb -0.14 -2.55 0.05 0.00 0.00 0.00 0.00 34.83 32.19 2vvj s MET 159 CO 0.14 0.46 0.24 0.00 0.00 0.00 0.00 175.02 175.86 2vvj s ALA 160 N -1.85 -0.51 -0.04 3.03 0.00 -1.26 -1.21 121.76 119.92 2vvj s ALA 160 Ca 0.31 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.96 2vvj s ALA 160 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2vvj s ALA 160 CO 0.22 -0.40 0.68 -0.51 0.00 0.00 0.00 175.76 175.76 2vvj s LEU 161 N 1.80 4.35 0.14 0.00 1.43 0.29 -0.89 118.68 125.79 2vvj s LEU 161 Ca -0.04 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 2vvj s LEU 161 Cb -0.11 -3.06 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 2vvj s LEU 161 CO -0.08 -0.06 1.11 -0.22 0.23 0.00 0.00 176.35 177.32 2vvj s LEU 162 N 0.54 4.46 0.33 1.79 2.96 0.13 -0.20 118.68 128.69 2vvj s LEU 162 Ca 0.36 2.03 0.08 0.00 -0.22 0.00 0.00 54.13 56.38 2vvj s LEU 162 Cb -0.18 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 2vvj s LEU 162 CO 0.18 -0.27 0.24 -0.76 -1.32 0.00 0.00 176.35 174.42 2vvj s LEU 163 N 0.05 3.52 0.21 -0.68 1.43 0.19 0.11 118.68 123.51 2vvj s LEU 163 Ca 0.51 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2vvj s LEU 163 Cb -0.29 -2.09 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 2vvj s LEU 163 CO 0.33 -0.31 1.42 -1.61 0.23 0.00 0.00 176.35 176.41 2vvj s GLU 164 N -3.94 4.29 0.00 1.70 2.02 -0.53 -2.29 118.70 119.95 2vvj s GLU 164 Ca 0.39 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.62 2vvj s GLU 164 Cb -0.05 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2vvj s GLU 164 CO 0.25 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2vvj n GLY 165 N 2.57 0.85 2.41 -1.39 0.00 -1.26 -4.52 105.19 103.86 2vvj n GLY 165 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2vvj n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vvj n ASN 166 N 0.06 -2.96 -4.92 1.61 4.13 -0.97 -5.01 115.26 107.21 2vvj n ASN 166 Ca 0.00 0.28 -0.27 0.00 1.68 0.00 0.00 54.58 56.28 2vvj n ASN 166 Cb 0.00 -2.59 0.04 0.00 -1.54 0.00 0.00 39.78 35.69 2vvj n ASN 166 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vvj s ALA 167 N -2.38 3.26 0.22 5.41 0.00 -1.26 -4.87 121.76 122.14 2vvj s ALA 167 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2vvj s ALA 167 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2vvj s ALA 167 CO 0.00 -0.89 -0.08 -1.01 0.00 0.00 0.00 175.76 173.78 2vvj s HIS 168 N -3.05 2.61 -0.22 0.00 3.76 -1.26 -0.64 115.29 116.49 2vvj s HIS 168 Ca 0.55 -0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2vvj s HIS 168 Cb -0.11 -1.22 0.06 0.00 1.11 0.00 0.00 32.58 32.43 2vvj s HIS 168 CO 0.46 0.57 -0.03 -0.47 -0.85 0.00 0.00 174.74 174.42 2vvj s TYR 169 N -2.01 2.01 0.23 1.40 5.04 0.73 -4.92 117.35 119.82 2vvj s TYR 169 Ca 0.28 -1.50 -0.26 0.00 -2.44 0.00 0.00 57.07 53.15 2vvj s TYR 169 Cb -0.07 -1.42 -0.09 0.00 0.35 0.00 0.00 41.96 40.72 2vvj s TYR 169 CO 0.17 -0.73 0.85 1.03 -1.34 0.00 0.00 175.55 175.53 2vvj s ARG 170 N 1.52 4.60 -0.02 4.97 1.81 -1.26 -0.55 118.95 130.02 2vvj s ARG 170 Ca -0.04 1.24 0.00 0.00 -1.72 0.00 0.00 55.73 55.20 2vvj s ARG 170 Cb -0.18 -3.10 0.02 0.00 -0.45 0.00 0.00 34.95 31.24 2vvj s ARG 170 CO -0.07 0.46 0.02 0.00 -0.68 0.00 0.00 175.30 175.04 2vvj s ASP 172 N 0.82 5.80 -0.12 0.00 1.01 0.12 -0.56 116.67 123.74 2vvj s ASP 172 Ca -0.07 0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 2vvj s ASP 172 Cb -0.10 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 2vvj s ASP 172 CO -0.02 0.09 -0.11 -0.55 0.21 0.00 0.00 175.17 174.79 2vvj s SER 173 N 0.90 4.23 -0.11 0.27 0.15 -0.55 -0.61 113.70 117.97 2vvj s SER 173 Ca 0.06 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.47 2vvj s SER 173 Cb -0.13 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2vvj s SER 173 CO 0.03 0.21 -0.12 -0.60 1.20 0.00 0.00 173.24 173.96 2vvj s ARG 174 N 0.11 1.90 -0.05 5.44 3.52 -0.74 -0.94 118.95 128.19 2vvj s ARG 174 Ca -0.05 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2vvj s ARG 174 Cb -0.14 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 2vvj s ARG 174 CO 0.04 -0.15 -0.25 0.99 -0.81 0.00 0.00 175.30 175.12 2vvj s THR 175 N 1.28 2.09 -0.12 4.11 2.01 0.11 -1.25 115.64 123.87 2vvj s THR 175 Ca -0.02 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 2vvj s THR 175 Cb -0.14 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2vvj s THR 175 CO -0.05 0.57 -0.12 0.42 -0.69 0.00 0.00 174.62 174.76 2vvj s THR 176 N -0.31 3.17 -0.10 -0.82 -4.23 -0.24 -0.29 115.64 112.82 2vvj s THR 176 Ca 0.01 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2vvj s THR 176 Cb -0.13 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2vvj s THR 176 CO 0.02 0.53 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.18 2vvj s TYR 177 N 0.18 2.76 -0.14 3.99 2.02 -0.18 -1.66 117.35 124.34 2vvj s TYR 177 Ca -0.07 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.14 2vvj s TYR 177 Cb -0.15 -1.76 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2vvj s TYR 177 CO 0.05 -0.07 0.02 0.15 -1.57 0.00 0.00 175.55 174.13 2vvj s LYS 178 N -0.06 0.61 0.42 -0.62 1.02 0.31 -3.81 119.74 117.62 2vvj s LYS 178 Ca -0.03 -0.16 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 2vvj s LYS 178 Cb -0.14 -1.57 -0.08 0.00 -0.52 0.00 0.00 37.83 35.52 2vvj s LYS 178 CO 0.04 -0.48 1.27 0.00 -0.92 0.00 0.00 175.35 175.25 2vvj s ALA 179 N 1.92 3.17 0.09 5.17 0.00 -1.26 -0.79 121.76 130.07 2vvj s ALA 179 Ca 0.02 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2vvj s ALA 179 Cb -0.15 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 2vvj s ALA 179 CO -0.07 -0.79 1.47 0.87 0.00 0.00 0.00 175.76 177.24 2vvj h LYS 180 N 2.51 0.59 -6.10 0.00 1.57 -1.48 -3.45 116.57 110.21 2vvj h LYS 180 Ca -0.49 -0.25 -0.59 0.00 -1.87 0.00 0.00 60.65 57.44 2vvj h LYS 180 Cb 1.25 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2vvj h LYS 180 CO 0.62 0.81 -0.18 -2.00 -0.57 0.00 0.00 179.45 178.13 2vvj s GLU 181 N -4.66 3.91 0.58 3.15 2.56 -1.26 -5.05 118.70 117.92 2vvj s GLU 181 Ca -0.13 0.39 -0.20 0.00 0.00 0.00 0.00 54.97 55.03 2vvj s GLU 181 Cb 0.08 -3.13 -0.04 0.00 2.00 0.00 0.00 34.13 33.05 2vvj s GLU 181 CO 0.79 0.63 1.30 0.15 -0.56 0.00 0.00 175.26 177.56 2vvj s LYS 182 N -1.41 3.00 0.00 4.30 -0.14 -1.26 -3.87 119.74 120.35 2vvj s LYS 182 Ca 0.28 2.08 0.00 0.00 -1.36 0.00 0.00 55.97 56.98 2vvj s LYS 182 Cb -0.16 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 2vvj s LYS 182 CO 0.16 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 173.90 2vvj n GLY 183 N 0.72 0.78 3.64 -3.33 0.00 -1.26 -5.01 105.19 100.73 2vvj n GLY 183 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2vvj n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvj s VAL 184 N -2.97 3.43 0.14 1.61 1.01 -1.25 -4.90 120.40 117.46 2vvj s VAL 184 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 2vvj s VAL 184 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2vvj s VAL 184 CO 0.00 -0.11 1.76 -0.75 0.00 0.00 0.00 175.10 176.00 2vvj s LYS 185 N 4.61 4.15 0.30 2.72 2.20 -1.26 -4.97 119.74 127.48 2vvj s LYS 185 Ca 0.79 2.55 -0.29 0.00 -0.36 0.00 0.00 55.97 58.66 2vvj s LYS 185 Cb -0.33 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 2vvj s LYS 185 CO 0.33 -0.79 1.09 -0.51 -0.36 0.00 0.00 175.35 175.11 2vvj s LEU 186 N 2.22 4.49 0.78 5.43 1.43 -1.26 -4.73 118.68 127.03 2vvj s LEU 186 Ca 0.78 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 2vvj s LEU 186 Cb -0.46 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.11 2vvj s LEU 186 CO 0.34 -0.19 1.14 -2.16 0.23 0.00 0.00 176.35 175.71 2vvj s PRO 187 N -1.60 2.24 0.86 1.29 0.04 -1.26 -5.02 135.00 131.55 2vvj s PRO 187 Ca 0.46 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 2vvj s PRO 187 Cb -0.30 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.41 2vvj s PRO 187 CO 0.39 -1.44 1.20 0.20 0.04 0.00 0.00 177.00 177.40 2vvj s GLY 188 N -4.42 1.72 0.18 0.56 0.00 -1.26 -4.74 107.32 99.37 2vvj s GLY 188 Ca 0.61 -1.10 -0.33 0.00 0.00 0.00 0.00 44.72 43.89 2vvj s GLY 188 CO 0.51 -0.47 1.47 2.98 0.00 0.00 0.00 173.10 177.58 2vvj n TYR 189 N -3.43 2.09 -3.95 1.90 9.36 -1.26 -4.82 117.16 117.06 2vvj n TYR 189 Ca 0.12 0.39 -0.10 0.00 3.32 0.00 0.00 57.90 61.63 2vvj n TYR 189 Cb 0.60 -2.48 -0.02 0.00 -0.63 0.00 0.00 39.34 36.81 2vvj n TYR 189 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2vvj s HIS 190 N 0.48 0.40 0.07 2.98 -3.43 -0.82 -4.99 115.29 109.98 2vvj s HIS 190 Ca 0.76 -0.83 0.08 0.00 -0.80 0.00 0.00 55.06 54.27 2vvj s HIS 190 Cb -0.71 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 30.78 2vvj s HIS 190 CO 0.44 -1.23 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.24 2vvj s LEU 191 N -3.08 2.58 -0.21 5.38 1.02 -0.08 -0.73 118.68 123.56 2vvj s LEU 191 Ca 0.21 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 2vvj s LEU 191 Cb -0.03 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.75 2vvj s LEU 191 CO 0.12 0.23 -0.04 -0.69 0.02 0.00 0.00 176.35 175.99 2vvj s VAL 192 N -0.99 1.29 0.24 -1.59 1.01 0.31 -0.29 120.40 120.38 2vvj s VAL 192 Ca 0.15 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2vvj s VAL 192 Cb -0.10 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2vvj s VAL 192 CO 0.06 -0.06 1.23 -1.81 0.00 0.00 0.00 175.10 174.52 2vvj s ASP 193 N 1.52 7.01 0.05 3.32 1.01 0.18 -0.15 116.67 129.62 2vvj s ASP 193 Ca -0.04 2.38 0.05 0.00 0.71 0.00 0.00 52.55 55.66 2vvj s ASP 193 Cb -0.18 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 2vvj s ASP 193 CO -0.07 -0.39 -0.15 -1.00 0.21 0.00 0.00 175.17 173.77 2vvj s HIS 194 N -0.49 1.33 -0.09 4.23 3.76 0.17 -1.65 115.29 122.54 2vvj s HIS 194 Ca 0.51 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2vvj s HIS 194 Cb -0.35 -0.77 0.05 0.00 1.11 0.00 0.00 32.58 32.62 2vvj s HIS 194 CO 0.41 0.06 0.20 0.00 -0.85 0.00 0.00 174.74 174.57 2vvj s ILE 196 N 1.60 1.27 -0.10 0.00 2.07 -1.26 -1.55 121.20 123.23 2vvj s ILE 196 Ca -0.05 -0.68 -0.06 0.00 -1.41 0.00 0.00 60.65 58.45 2vvj s ILE 196 Cb -0.11 -1.06 0.04 0.00 0.13 0.00 0.00 42.46 41.46 2vvj s ILE 196 CO -0.07 0.36 0.23 -0.70 -1.91 0.00 0.00 174.94 172.85 2vvj s GLU 197 N -0.31 0.21 -0.47 3.50 2.12 -0.20 -4.58 118.70 118.98 2vvj s GLU 197 Ca 0.05 0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.55 2vvj s GLU 197 Cb -0.07 -0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.29 2vvj s GLU 197 CO -0.00 -0.13 1.11 0.42 -0.54 0.00 0.00 175.26 176.12 2vvj s ILE 198 N 0.94 4.25 0.16 -3.70 1.01 -1.26 -0.83 121.20 121.77 2vvj s ILE 198 Ca -0.07 1.17 -0.07 0.00 0.00 0.00 0.00 60.65 61.69 2vvj s ILE 198 Cb -0.08 -4.58 -0.08 0.00 0.01 0.00 0.00 42.46 37.73 2vvj s ILE 198 CO -0.06 -0.97 1.44 -0.07 0.00 0.00 0.00 174.94 175.28 2vvj h LEU 199 N 11.09 0.75 -7.00 2.97 3.38 -0.53 -3.47 115.31 122.50 2vvj h LEU 199 Ca -0.23 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 2vvj h LEU 199 Cb 1.06 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 2vvj h LEU 199 CO 1.11 1.18 0.25 -0.94 0.09 0.00 0.00 178.44 180.13 2vvj s SER 200 N -6.96 -0.55 0.07 -0.43 1.04 -1.19 -4.99 113.70 100.68 2vvj s SER 200 Ca -0.08 0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 2vvj s SER 200 Cb 0.10 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.84 2vvj s SER 200 CO 0.86 -0.86 0.58 -1.38 0.98 0.00 0.00 173.24 173.43 2vvj s HIS 201 N -3.25 -0.51 0.83 5.02 -3.43 -1.26 -0.56 115.29 112.13 2vvj s HIS 201 Ca -0.00 0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 54.70 2vvj s HIS 201 Cb -0.01 0.44 0.12 0.00 -1.43 0.00 0.00 32.58 31.70 2vvj s HIS 201 CO -0.09 -0.71 1.18 0.16 -2.00 0.00 0.00 174.74 173.28 2vvj s ASP 202 N -2.11 4.09 0.32 7.38 1.47 -0.90 -4.96 116.67 121.97 2vvj s ASP 202 Ca -0.04 0.46 0.05 0.00 1.18 0.00 0.00 52.55 54.21 2vvj s ASP 202 Cb -0.01 -0.83 0.70 0.00 -0.34 0.00 0.00 42.92 42.45 2vvj s ASP 202 CO -0.03 -2.12 1.85 0.50 0.68 0.00 0.00 175.17 176.05 2vvj h LYS 203 N -1.12 0.80 -0.47 2.11 3.64 -2.02 -2.17 116.57 117.34 2vvj h LYS 203 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2vvj h LYS 203 Cb 1.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2vvj h LYS 203 CO 0.54 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 178.00 2vvj n ASP 204 N -4.60 3.56 -1.89 4.20 8.00 -1.26 -4.95 116.55 119.61 2vvj n ASP 204 Ca 0.18 -1.99 -0.19 0.00 0.71 0.00 0.00 54.79 53.51 2vvj n ASP 204 Cb 0.43 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 2vvj n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2vvj n TYR 205 N 1.50 -0.56 0.17 1.24 4.02 -0.82 -4.33 117.16 118.37 2vvj n TYR 205 Ca 0.20 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.12 2vvj n TYR 205 Cb 0.60 -3.51 0.27 0.00 -0.02 0.00 0.00 39.34 36.68 2vvj n TYR 205 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2vvj h ASN 206 N 0.00 0.00 -3.34 7.72 2.35 -1.93 -3.43 115.58 116.95 2vvj h ASN 206 Ca -0.43 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.77 2vvj h ASN 206 Cb 1.29 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.32 2vvj h ASN 206 CO 0.54 0.47 -0.83 -0.54 -1.65 0.00 0.00 177.43 175.42 2vvj s LYS 207 N -3.58 2.00 -0.02 0.81 1.02 -1.26 -0.93 119.74 117.78 2vvj s LYS 207 Ca -0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2vvj s LYS 207 Cb 0.11 -1.67 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2vvj s LYS 207 CO 0.72 -0.01 -0.01 0.08 -0.92 0.00 0.00 175.35 175.21 2vvj s VAL 208 N 0.81 0.17 -0.28 3.17 1.01 -0.52 -2.12 120.40 122.64 2vvj s VAL 208 Ca -0.11 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2vvj s VAL 208 Cb -0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2vvj s VAL 208 CO 0.02 0.11 0.15 -0.75 0.00 0.00 0.00 175.10 174.62 2vvj s LYS 209 N 0.60 3.68 0.05 2.72 2.20 0.28 0.39 119.74 129.65 2vvj s LYS 209 Ca -0.06 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2vvj s LYS 209 Cb -0.09 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2vvj s LYS 209 CO -0.01 -0.26 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.44 2vvj s LEU 210 N 1.68 2.96 -0.00 5.43 2.96 0.59 0.27 118.68 132.57 2vvj s LEU 210 Ca 0.06 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2vvj s LEU 210 Cb -0.16 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 2vvj s LEU 210 CO 0.08 0.24 0.01 -0.47 -1.32 0.00 0.00 176.35 174.88 2vvj s TYR 211 N -1.05 0.02 0.01 5.38 5.04 -0.01 -0.75 117.35 125.99 2vvj s TYR 211 Ca 0.18 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 2vvj s TYR 211 Cb -0.11 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 2vvj s TYR 211 CO 0.09 -0.03 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.24 2vvj s GLU 212 N -0.15 0.29 -0.06 4.97 2.12 -0.71 -1.03 118.70 124.13 2vvj s GLU 212 Ca -0.02 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2vvj s GLU 212 Cb -0.01 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.26 2vvj s GLU 212 CO -0.00 0.03 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.06 2vvj s HIS 213 N -0.68 1.34 -0.01 5.30 5.65 -0.59 -2.06 115.29 124.24 2vvj s HIS 213 Ca -0.05 -0.48 0.01 0.00 0.25 0.00 0.00 55.06 54.78 2vvj s HIS 213 Cb -0.05 -1.00 0.01 0.00 -1.18 0.00 0.00 32.58 30.35 2vvj s HIS 213 CO -0.00 -0.26 -0.02 0.00 -0.65 0.00 0.00 174.74 173.81 2vvj s ALA 214 N 0.70 0.25 -0.07 1.58 0.00 0.06 -1.54 121.76 122.75 2vvj s ALA 214 Ca -0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 2vvj s ALA 214 Cb -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2vvj s ALA 214 CO 0.03 0.02 -0.00 0.08 0.00 0.00 0.00 175.76 175.89 2vvj s VAL 215 N 0.23 0.38 0.26 0.00 1.01 -0.66 -0.80 120.40 120.82 2vvj s VAL 215 Ca -0.02 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2vvj s VAL 215 Cb -0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.73 2vvj s VAL 215 CO -0.01 0.25 0.80 0.00 0.00 0.00 0.00 175.10 176.15 2vvj s ALA 216 N 1.78 3.33 0.29 5.51 0.00 0.48 -0.65 121.76 132.51 2vvj s ALA 216 Ca 0.02 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 2vvj s ALA 216 Cb -0.13 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2vvj s ALA 216 CO -0.04 0.27 0.68 -3.38 0.00 0.00 0.00 175.76 173.29 2vvj s HIS 217 N -1.58 -0.01 -2.71 0.00 -3.43 0.60 -4.42 115.29 103.74 2vvj s HIS 217 Ca 0.46 -0.46 0.25 0.00 -0.80 0.00 0.00 55.06 54.51 2vvj s HIS 217 Cb -0.17 0.62 0.52 0.00 -1.43 0.00 0.00 32.58 32.11 2vvj s HIS 217 CO 0.22 -1.25 1.44 0.43 -2.00 0.00 0.00 174.74 173.58 2vvj n SER 218 N -0.62 2.54 -0.17 7.38 7.64 -1.26 -0.91 113.62 128.22 2vvj n SER 218 Ca -0.04 -1.84 0.02 0.00 1.01 0.00 0.00 58.87 58.02 2vvj n SER 218 Cb 0.60 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2vvj n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vvj n GLY 219 N 1.31 -2.15 3.76 0.23 0.00 -1.26 -4.79 105.19 102.29 2vvj n GLY 219 Ca 0.16 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2vvj n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vvj s LEU 220 N 0.00 4.10 -0.15 0.99 1.43 -1.26 -0.61 118.68 123.19 2vvj s LEU 220 Ca 0.00 2.70 0.12 0.00 -1.03 0.00 0.00 54.13 55.91 2vvj s LEU 220 Cb 0.00 -4.01 0.60 0.00 0.03 0.00 0.00 46.19 42.80 2vvj s LEU 220 CO 0.00 -1.06 1.43 -0.81 0.23 0.00 0.00 176.35 176.14 2vvj n PRO 221 N -0.22 3.65 -1.14 1.29 -0.04 -1.26 -4.93 135.00 132.35 2vvj n PRO 221 Ca 0.06 -2.30 -0.20 0.00 -0.04 0.00 0.00 63.50 61.02 2vvj n PRO 221 Cb 0.44 -1.97 0.18 0.00 -0.04 0.00 0.00 33.50 32.11 2vvj n PRO 221 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vvj n ASP 222 N 0.58 3.56 0.00 3.54 8.00 0.22 -5.17 116.55 127.29 2vvj n ASP 222 Ca 0.20 -3.66 0.00 0.00 0.71 0.00 0.00 54.79 52.04 2vvj n ASP 222 Cb 0.88 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2vvj n ASP 222 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35