#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvj s MET 1 N 0.00 4.01 0.08 1.57 -1.94 -1.26 -4.86 119.30 116.89 2vvj s MET 1 Ca 0.00 -2.96 0.08 0.00 -1.71 0.00 0.00 55.69 51.10 2vvj s MET 1 Cb 0.00 -4.52 -0.22 0.00 2.01 0.00 0.00 34.83 32.10 2vvj s MET 1 CO 0.00 -1.27 1.11 0.66 -0.01 0.00 0.00 175.02 175.51 2vvj h SER 2 N 7.05 0.03 -0.33 3.03 4.64 -1.86 -3.41 113.55 122.69 2vvj h SER 2 Ca 0.16 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 2vvj h SER 2 Cb 0.93 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 2vvj h SER 2 CO 0.93 1.03 -0.13 0.00 -0.87 0.00 0.00 176.83 177.79 2vvj n ALA 3 N -2.42 -0.11 -2.66 5.18 0.00 -1.26 -3.20 120.51 116.05 2vvj n ALA 3 Ca -0.05 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 2vvj n ALA 3 Cb 0.97 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 2vvj n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vvj s ILE 4 N -2.01 4.73 0.36 0.00 1.01 -1.26 -4.97 121.20 119.06 2vvj s ILE 4 Ca 0.00 1.88 -0.10 0.00 0.00 0.00 0.00 60.65 62.44 2vvj s ILE 4 Cb 0.00 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2vvj s ILE 4 CO 0.00 -0.14 0.71 -0.54 0.00 0.00 0.00 174.94 174.97 2vvj s LYS 5 N 3.06 3.78 0.57 2.79 -0.14 -1.26 -4.98 119.74 123.55 2vvj s LYS 5 Ca 0.41 0.39 0.25 0.00 -1.36 0.00 0.00 55.97 55.66 2vvj s LYS 5 Cb -0.15 -2.46 1.59 0.00 -1.68 0.00 0.00 37.83 35.12 2vvj s LYS 5 CO 0.07 0.06 2.15 -1.35 -0.76 0.00 0.00 175.35 175.52 2vvj h PRO 6 N 1.54 0.00 -4.54 -1.68 0.11 -1.96 -3.38 132.00 122.09 2vvj h PRO 6 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 2vvj h PRO 6 Cb 1.19 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.93 2vvj h PRO 6 CO 0.65 0.00 -0.82 -0.51 -0.21 0.00 0.00 178.00 177.10 2vvj s ASP 7 N -6.28 2.59 0.10 -2.05 1.01 -1.26 -4.04 116.67 106.74 2vvj s ASP 7 Ca -0.05 -0.46 0.09 0.00 0.71 0.00 0.00 52.55 52.84 2vvj s ASP 7 Cb 0.16 -1.09 -0.03 0.00 1.01 0.00 0.00 42.92 42.96 2vvj s ASP 7 CO 0.60 -0.08 -0.23 -0.04 0.21 0.00 0.00 175.17 175.62 2vvj s MET 8 N 1.54 1.31 0.34 8.23 -1.94 -0.50 -4.99 119.30 123.29 2vvj s MET 8 Ca 0.05 -1.19 -0.05 0.00 -1.71 0.00 0.00 55.69 52.79 2vvj s MET 8 Cb -0.13 -1.63 -0.05 0.00 2.01 0.00 0.00 34.83 35.04 2vvj s MET 8 CO -0.10 0.39 0.61 0.15 -0.01 0.00 0.00 175.02 176.06 2vvj s LYS 9 N -1.80 3.61 -0.08 2.03 1.02 0.79 -0.69 119.74 124.62 2vvj s LYS 9 Ca 0.10 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2vvj s LYS 9 Cb -0.10 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2vvj s LYS 9 CO 0.04 0.11 -0.07 0.42 -0.92 0.00 0.00 175.35 174.94 2vvj s ILE 10 N -2.25 0.86 -0.00 2.17 1.01 0.17 -1.07 121.20 122.08 2vvj s ILE 10 Ca 0.44 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.88 2vvj s ILE 10 Cb -0.10 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2vvj s ILE 10 CO 0.33 0.32 -0.09 0.21 0.00 0.00 0.00 174.94 175.71 2vvj s ASN 11 N 1.30 4.46 -0.16 3.58 3.84 0.53 -0.98 114.94 127.51 2vvj s ASN 11 Ca -0.04 -0.17 -0.15 0.00 0.21 0.00 0.00 52.86 52.71 2vvj s ASN 11 Cb -0.14 -1.00 0.04 0.00 -0.55 0.00 0.00 41.25 39.60 2vvj s ASN 11 CO -0.03 0.29 0.42 -0.22 -2.79 0.00 0.00 177.10 174.78 2vvj s LEU 12 N -1.29 0.38 -0.06 3.21 0.20 -0.39 -1.22 118.68 119.51 2vvj s LEU 12 Ca 0.16 0.85 -0.01 0.00 0.69 0.00 0.00 54.13 55.82 2vvj s LEU 12 Cb -0.11 1.45 0.03 0.00 -0.43 0.00 0.00 46.19 47.13 2vvj s LEU 12 CO 0.06 -0.15 0.01 -0.60 -0.29 0.00 0.00 176.35 175.38 2vvj s ARG 13 N 0.23 0.49 -0.14 1.98 3.52 -0.61 -0.31 118.95 124.11 2vvj s ARG 13 Ca -0.00 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2vvj s ARG 13 Cb -0.03 -0.86 -0.02 0.00 -1.56 0.00 0.00 34.95 32.48 2vvj s ARG 13 CO 0.01 -0.29 -0.11 1.41 -0.81 0.00 0.00 175.30 175.51 2vvj s MET 14 N 1.89 3.45 0.02 5.12 -2.45 0.69 -1.24 119.30 126.78 2vvj s MET 14 Ca 0.03 -0.64 0.08 0.00 -1.25 0.00 0.00 55.69 53.91 2vvj s MET 14 Cb -0.12 -2.71 -0.03 0.00 1.25 0.00 0.00 34.83 33.22 2vvj s MET 14 CO -0.04 0.20 -0.23 -1.21 1.05 0.00 0.00 175.02 174.78 2vvj s GLU 15 N 0.40 1.99 0.22 4.11 2.02 -0.63 -0.03 118.70 126.79 2vvj s GLU 15 Ca -0.09 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 53.69 2vvj s GLU 15 Cb -0.15 -2.08 0.07 0.00 0.10 0.00 0.00 34.13 32.07 2vvj s GLU 15 CO 0.05 0.54 1.00 0.20 0.02 0.00 0.00 175.26 177.06 2vvj s GLY 16 N -1.12 0.19 -0.20 -1.39 0.00 -0.46 -1.94 107.32 102.40 2vvj s GLY 16 Ca 0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 2vvj s GLY 16 CO 0.02 2.14 0.39 0.21 0.00 0.00 0.00 173.10 175.85 2vvj s ASN 17 N -3.38 -0.03 -0.13 1.64 3.84 -0.08 -1.01 114.94 115.79 2vvj s ASN 17 Ca 0.21 0.71 0.03 0.00 0.21 0.00 0.00 52.86 54.02 2vvj s ASN 17 Cb -0.03 1.20 0.01 0.00 -0.55 0.00 0.00 41.25 41.88 2vvj s ASN 17 CO 0.07 -0.25 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.23 2vvj s VAL 18 N 2.57 1.92 -1.49 -5.21 1.01 -0.85 -0.92 120.40 117.43 2vvj s VAL 18 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2vvj s VAL 18 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2vvj s VAL 18 CO -0.13 0.52 0.00 -3.20 0.00 0.00 0.00 175.10 172.29 2vvj n ASN 19 N 4.02 -5.01 0.00 3.32 5.15 -0.66 -0.99 115.26 121.10 2vvj n ASN 19 Ca -0.20 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2vvj n ASN 19 Cb 0.52 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 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 -0.83 0.62 3.51 8.20 0.00 -1.26 -5.05 105.19 110.38 2vvj n GLY 20 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.28 3.06 0.32 1.61 5.04 -0.16 -5.05 115.29 117.84 2vvj s HIS 21 Ca 0.00 -0.14 -0.27 0.00 -1.54 0.00 0.00 55.06 53.11 2vvj s HIS 21 Cb 0.00 -3.36 -0.09 0.00 0.04 0.00 0.00 32.58 29.17 2vvj s HIS 21 CO 0.00 -0.89 0.99 -1.58 -2.34 0.00 0.00 174.74 170.92 2vvj s HIS 22 N 2.78 3.64 0.06 3.88 2.46 -1.26 -2.00 115.29 124.84 2vvj s HIS 22 Ca 0.21 1.77 -0.13 0.00 0.47 0.00 0.00 55.06 57.38 2vvj s HIS 22 Cb -0.15 -3.04 0.02 0.00 -0.13 0.00 0.00 32.58 29.28 2vvj s HIS 22 CO 0.18 -0.05 0.29 -0.59 -2.47 0.00 0.00 174.74 172.10 2vvj s PHE 23 N -1.47 -0.06 -0.04 3.88 -0.12 -0.18 -4.18 117.98 115.81 2vvj s PHE 23 Ca 0.49 -0.15 0.02 0.00 -0.05 0.00 0.00 56.93 57.24 2vvj s PHE 23 Cb -0.23 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 2vvj s PHE 23 CO 0.29 -0.53 -0.09 0.08 -0.05 0.00 0.00 175.22 174.92 2vvj s VAL 24 N -2.90 0.81 -0.07 -2.49 1.01 -0.64 -1.35 120.40 114.77 2vvj s VAL 24 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2vvj s VAL 24 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2vvj s VAL 24 CO -0.06 0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.61 2vvj s ILE 25 N 0.49 0.85 -0.05 2.22 1.01 0.96 -0.31 121.20 126.36 2vvj s ILE 25 Ca -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 2vvj s ILE 25 Cb -0.12 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2vvj s ILE 25 CO 0.01 0.31 0.15 -1.81 0.00 0.00 0.00 174.94 173.60 2vvj s ASP 26 N 1.13 6.29 -0.00 3.58 1.01 -0.09 -0.23 116.67 128.36 2vvj s ASP 26 Ca -0.07 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.59 2vvj s ASP 26 Cb -0.14 -1.98 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 2vvj s ASP 26 CO -0.01 0.32 -0.07 -0.83 0.21 0.00 0.00 175.17 174.79 2vvj s GLY 27 N -1.56 0.36 -0.04 0.21 0.00 0.58 -0.37 107.32 106.51 2vvj s GLY 27 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 2vvj s GLY 27 CO 0.12 -0.28 0.02 0.99 0.00 0.00 0.00 173.10 173.96 2vvj s ASP 28 N -0.21 0.69 0.19 1.64 1.01 -0.60 -1.26 116.67 118.13 2vvj s ASP 28 Ca 0.03 0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.24 2vvj s ASP 28 Cb -0.03 -0.19 0.02 0.00 1.01 0.00 0.00 42.92 43.73 2vvj s ASP 28 CO -0.00 -0.16 0.36 0.61 0.21 0.00 0.00 175.17 176.19 2vvj n GLY 29 N 4.58 1.80 3.05 0.21 0.00 -0.15 -0.79 105.19 113.90 2vvj n GLY 29 Ca -0.18 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.57 0.28 0.21 2.61 -4.23 -0.66 0.42 115.64 111.70 2vvj s THR 30 Ca 0.10 -1.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.11 2vvj s THR 30 Cb -0.02 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2vvj s THR 30 CO 0.07 -0.71 0.43 -0.83 -0.54 0.00 0.00 174.62 173.05 2vvj s GLY 31 N -2.18 0.37 -0.52 3.99 0.00 0.14 -1.42 107.32 107.69 2vvj s GLY 31 Ca -0.04 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.00 2vvj s GLY 31 CO -0.04 -0.60 0.27 0.54 0.00 0.00 0.00 173.10 173.26 2vvj s LYS 32 N -3.97 1.95 0.31 2.90 1.02 0.13 -1.41 119.74 120.66 2vvj s LYS 32 Ca 0.18 -2.61 0.06 0.00 0.02 0.00 0.00 55.97 53.61 2vvj s LYS 32 Cb 0.00 -3.26 0.72 0.00 -0.52 0.00 0.00 37.83 34.78 2vvj s LYS 32 CO 0.03 -1.12 1.80 -1.35 -0.92 0.00 0.00 175.35 173.79 2vvj h PRO 33 N 6.48 0.78 0.00 -1.68 0.11 -1.77 -0.46 132.00 135.45 2vvj h PRO 33 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2vvj h PRO 33 Cb 0.89 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2vvj h PRO 33 CO 0.68 0.51 -0.10 0.74 -0.21 0.00 0.00 178.00 179.62 2vvj h PHE 34 N 0.80 0.00 -0.00 0.65 -1.00 -1.83 -2.80 116.94 112.75 2vvj h PHE 34 Ca 0.55 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.33 2vvj h PHE 34 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 2vvj h PHE 34 CO -0.00 0.00 -0.76 0.39 -1.61 0.00 0.00 178.31 176.32 2vvj n GLU 35 N -2.39 0.19 -2.91 1.51 1.02 -0.57 -4.64 120.64 112.85 2vvj n GLU 35 Ca 0.05 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 2vvj n GLU 35 Cb 0.45 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.48 0.21 3.05 0.62 0.00 -0.29 -4.53 105.19 105.73 2vvj n GLY 36 Ca 0.05 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.48 0.66 0.03 1.61 1.02 -1.02 -0.74 119.74 115.82 2vvj s LYS 37 Ca 0.24 -0.50 -0.18 0.00 0.02 0.00 0.00 55.97 55.55 2vvj s LYS 37 Cb -0.11 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.64 2vvj s LYS 37 CO 0.30 0.15 0.40 1.14 -0.92 0.00 0.00 175.35 176.42 2vvj s GLN 38 N -0.75 0.87 0.02 1.68 -2.07 -0.86 0.17 119.66 118.72 2vvj s GLN 38 Ca -0.00 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 2vvj s GLN 38 Cb -0.06 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2vvj s GLN 38 CO 0.00 -0.28 -0.03 -1.54 -1.32 0.00 0.00 175.29 172.12 2vvj s SER 39 N -1.83 0.28 -0.15 12.60 1.04 -0.51 -1.53 113.70 123.59 2vvj s SER 39 Ca -0.07 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 2vvj s SER 39 Cb -0.02 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.25 2vvj s SER 39 CO -0.00 -0.32 0.40 -0.32 0.98 0.00 0.00 173.24 173.98 2vvj s MET 40 N -1.62 0.45 -0.23 4.02 0.00 -0.28 -1.65 119.30 119.99 2vvj s MET 40 Ca -0.14 0.61 -0.17 0.00 0.00 0.00 0.00 55.69 55.98 2vvj s MET 40 Cb -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 34.83 34.88 2vvj s MET 40 CO -0.02 -0.08 0.47 -0.51 0.00 0.00 0.00 175.02 174.88 2vvj s ASP 41 N 0.47 6.44 -0.06 1.11 1.01 0.03 -0.49 116.67 125.19 2vvj s ASP 41 Ca -0.02 0.53 0.01 0.00 0.71 0.00 0.00 52.55 53.78 2vvj s ASP 41 Cb -0.04 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2vvj s ASP 41 CO -0.02 -0.19 -0.08 -0.76 0.21 0.00 0.00 175.17 174.33 2vvj s LEU 42 N 1.83 3.08 -0.07 1.23 1.43 0.14 -1.56 118.68 124.76 2vvj s LEU 42 Ca 0.20 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2vvj s LEU 42 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2vvj s LEU 42 CO 0.09 0.36 -0.06 -0.70 0.23 0.00 0.00 176.35 176.27 2vvj s GLU 43 N -0.80 1.12 -0.30 1.70 2.12 0.50 -1.50 118.70 121.55 2vvj s GLU 43 Ca 0.12 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.00 2vvj s GLU 43 Cb -0.11 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.14 2vvj s GLU 43 CO 0.01 -0.13 1.41 0.08 -0.54 0.00 0.00 175.26 176.09 2vvj s VAL 44 N 1.20 3.97 -0.13 3.70 1.01 0.24 -0.92 120.40 129.47 2vvj s VAL 44 Ca -0.06 1.08 0.16 0.00 0.00 0.00 0.00 61.98 63.16 2vvj s VAL 44 Cb -0.14 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 2vvj s VAL 44 CO -0.02 -0.47 0.33 0.29 0.00 0.00 0.00 175.10 175.24 2vvj n LYS 45 N 7.54 0.66 -3.98 2.72 4.76 0.58 -4.82 118.16 125.63 2vvj n LYS 45 Ca 0.16 0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.61 2vvj n LYS 45 Cb 0.46 -1.64 -0.13 0.00 -1.84 0.00 0.00 35.03 31.89 2vvj n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2vvj s GLU 46 N -2.55 0.25 0.00 1.97 2.02 -0.96 -4.90 118.70 114.53 2vvj s GLU 46 Ca -0.08 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2vvj s GLU 46 Cb 0.07 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2vvj s GLU 46 CO 0.83 0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.52 2vvj n GLY 47 N 2.27 0.75 3.78 -1.39 0.00 -1.26 -1.62 105.19 107.73 2vvj n GLY 47 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.76 2.75 0.34 -0.02 0.00 -1.26 -3.51 107.32 103.86 2vvj s GLY 48 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 2vvj s GLY 48 CO 0.00 0.97 1.00 2.56 0.00 0.00 0.00 173.10 177.63 2vvj s PRO 49 N -2.22 4.46 0.13 2.90 0.04 -1.26 -5.11 135.00 133.94 2vvj s PRO 49 Ca 0.52 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 2vvj s PRO 49 Cb -0.18 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 2vvj s PRO 49 CO 0.23 0.13 1.38 -0.51 0.04 0.00 0.00 177.00 178.27 2vvj s LEU 50 N -2.14 4.38 0.00 -3.56 1.43 -1.23 -4.91 118.68 112.65 2vvj s LEU 50 Ca 0.52 2.35 0.13 0.00 -1.03 0.00 0.00 54.13 56.10 2vvj s LEU 50 Cb -0.22 -3.59 0.69 0.00 0.03 0.00 0.00 46.19 43.10 2vvj s LEU 50 CO 0.28 -0.63 1.46 -0.81 0.23 0.00 0.00 176.35 176.88 2vvj n PRO 51 N 3.67 1.18 -4.32 1.29 -0.04 -1.26 -4.84 135.00 130.68 2vvj n PRO 51 Ca 0.10 -0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 2vvj n PRO 51 Cb 0.42 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.93 1.52 0.06 0.54 -0.12 -1.26 -4.69 117.98 112.10 2vvj s PHE 52 Ca 0.21 -0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 55.98 2vvj s PHE 52 Cb 0.10 -0.83 -0.09 0.00 -0.63 0.00 0.00 43.02 41.57 2vvj s PHE 52 CO 0.16 0.08 1.95 0.00 -0.05 0.00 0.00 175.22 177.35 2vvj n ALA 53 N -0.36 1.74 0.10 1.99 0.00 -0.01 -4.88 120.51 119.09 2vvj n ALA 53 Ca -0.07 0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.66 2vvj n ALA 53 Cb 0.62 -2.67 0.50 0.00 0.00 0.00 0.00 19.45 17.90 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 10.16 0.32 -1.13 0.00 3.57 -1.94 -2.95 116.94 124.96 2vvj h PHE 54 Ca -0.49 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.33 2vvj h PHE 54 Cb 1.24 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 2vvj h PHE 54 CO 0.92 0.22 0.77 -0.44 -2.23 0.00 0.00 178.31 177.55 2vvj h ASP 55 N 0.34 0.23 0.43 0.41 3.32 -1.96 -0.88 116.42 118.31 2vvj h ASP 55 Ca 0.09 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2vvj h ASP 55 Cb -0.01 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2vvj h ASP 55 CO -0.02 0.02 -0.15 0.16 -1.72 0.00 0.00 179.24 177.54 2vvj h ILE 56 N 0.19 0.62 0.00 0.35 3.07 -1.92 -2.99 117.51 116.83 2vvj h ILE 56 Ca 0.60 -0.65 -0.12 0.00 1.55 0.00 0.00 64.86 66.25 2vvj h ILE 56 Cb 1.95 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 39.89 2vvj h ILE 56 CO -0.18 0.14 -0.82 -0.07 -1.05 0.00 0.00 178.15 176.18 2vvj h LEU 57 N 0.00 0.00 -1.15 0.16 3.38 -1.38 -3.42 115.31 112.90 2vvj h LEU 57 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2vvj h LEU 57 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2vvj h LEU 57 CO 0.02 0.48 0.44 0.71 0.09 0.00 0.00 178.44 180.18 2vvj h THR 58 N 0.00 1.21 0.00 0.22 1.35 -1.57 -0.32 112.91 113.80 2vvj h THR 58 Ca -0.06 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2vvj h THR 58 Cb 1.42 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2vvj h THR 58 CO 0.05 0.23 0.00 0.71 -0.25 0.00 0.00 175.52 176.26 2vvj h THR 59 N 1.04 0.00 -1.33 6.82 1.35 -1.81 -3.51 112.91 115.47 2vvj h THR 59 Ca 0.27 -0.29 -0.69 0.00 -0.55 0.00 0.00 66.41 65.15 2vvj h THR 59 Cb -0.02 1.08 -0.11 0.00 -1.73 0.00 0.00 68.15 67.36 2vvj h THR 59 CO -0.05 0.00 1.85 0.00 -0.25 0.00 0.00 175.52 177.07 2vvj s ALA 60 N -3.32 3.48 -0.30 6.62 0.00 -0.13 -5.14 121.76 122.98 2vvj s ALA 60 Ca 0.05 -3.00 -0.06 0.00 0.00 0.00 0.00 51.96 48.95 2vvj s ALA 60 Cb 0.10 -4.46 0.19 0.00 0.00 0.00 0.00 23.12 18.94 2vvj s ALA 60 CO 0.43 -3.16 0.87 1.21 0.00 0.00 0.00 175.76 175.12 2vvj s ASN 65 N 3.85 -0.86 0.00 0.00 3.84 -1.26 -4.96 114.94 115.55 2vvj s ASN 65 Ca 0.49 0.26 0.16 0.00 0.21 0.00 0.00 52.86 53.99 2vvj s ASN 65 Cb 0.01 1.61 0.98 0.00 -0.55 0.00 0.00 41.25 43.31 2vvj s ASN 65 CO 0.04 -0.16 1.46 -1.14 -2.79 0.00 0.00 177.10 174.51 2vvj n ARG 66 N 5.32 0.74 0.22 0.43 3.00 -1.26 -1.88 116.66 123.23 2vvj n ARG 66 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.95 2vvj n ARG 66 Cb 0.55 -1.35 0.51 0.00 0.00 0.00 0.00 32.46 32.17 2vvj n ARG 66 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2vvj h VAL 67 N 0.00 0.85 -1.11 5.15 -1.51 -1.95 -3.23 116.25 114.45 2vvj h VAL 67 Ca 0.00 -0.98 -0.75 0.00 -1.23 0.00 0.00 66.70 63.74 2vvj h VAL 67 Cb 0.00 1.59 -0.13 0.00 -2.13 0.00 0.00 31.29 30.62 2vvj h VAL 67 CO 0.00 0.25 2.28 0.49 -1.23 0.00 0.00 177.57 179.36 2vvj n PHE 68 N -3.77 2.96 -3.73 5.19 3.01 -0.79 -4.65 117.46 115.68 2vvj n PHE 68 Ca -0.01 -2.82 -0.12 0.00 1.01 0.00 0.00 57.45 55.50 2vvj n PHE 68 Cb 0.35 -2.04 -0.12 0.00 -0.01 0.00 0.00 39.48 37.67 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 0.67 -0.80 -0.50 4.37 0.00 -1.22 -4.31 121.76 119.96 2vvj s ALA 69 Ca 0.43 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2vvj s ALA 69 Cb 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2vvj s ALA 69 CO -0.02 -0.21 1.25 -2.00 0.00 0.00 0.00 175.76 174.78 2vvj s GLU 70 N 1.01 3.58 -0.23 0.00 2.12 -0.22 -4.54 118.70 120.43 2vvj s GLU 70 Ca -0.07 0.54 -0.10 0.00 0.36 0.00 0.00 54.97 55.70 2vvj s GLU 70 Cb -0.07 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2vvj s GLU 70 CO -0.08 -1.58 0.15 0.71 -0.54 0.00 0.00 175.26 173.93 2vvj s TYR 71 N 5.01 3.34 0.74 5.30 1.51 -1.26 -0.87 117.35 131.12 2vvj s TYR 71 Ca 0.50 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.69 2vvj s TYR 71 Cb -0.09 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2vvj s TYR 71 CO 0.30 0.12 1.08 -1.25 -1.11 0.00 0.00 175.55 174.69 2vvj s PRO 72 N 0.87 2.57 0.42 -1.71 0.04 -1.26 -4.96 135.00 130.96 2vvj s PRO 72 Ca 0.08 0.76 0.09 0.00 0.04 0.00 0.00 61.00 61.96 2vvj s PRO 72 Cb -0.13 -1.96 0.90 0.00 0.04 0.00 0.00 34.50 33.35 2vvj s PRO 72 CO 0.03 -1.31 2.03 -0.44 0.04 0.00 0.00 177.00 177.35 2vvj h ASP 73 N -0.86 0.45 0.45 6.66 3.32 -1.99 -2.54 116.42 121.91 2vvj h ASP 73 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2vvj h ASP 73 Cb 1.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2vvj h ASP 73 CO 0.59 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 178.42 2vvj n HIS 74 N -4.47 0.00 -4.73 4.55 1.44 -1.26 -4.68 115.22 106.06 2vvj n HIS 74 Ca 0.05 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.44 2vvj n HIS 74 Cb 0.16 -0.23 -0.16 0.00 0.12 0.00 0.00 29.99 29.87 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 -2.47 2.54 0.19 0.61 1.01 -0.96 -5.07 121.20 117.05 2vvj s ILE 75 Ca 0.31 -0.83 -0.32 0.00 0.00 0.00 0.00 60.65 59.81 2vvj s ILE 75 Cb 0.20 -2.04 -0.12 0.00 0.01 0.00 0.00 42.46 40.51 2vvj s ILE 75 CO 0.43 0.53 1.74 1.67 0.00 0.00 0.00 174.94 179.31 2vvj n GLN 76 N 3.85 2.77 -3.37 2.79 -0.06 -1.26 -4.67 117.38 117.43 2vvj n GLN 76 Ca -0.19 1.00 -0.45 0.00 -2.00 0.00 0.00 57.00 55.36 2vvj n GLN 76 Cb 0.52 -2.86 -0.02 0.00 -4.06 0.00 0.00 30.24 23.83 2vvj n GLN 76 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2vvj s ASP 77 N 1.47 6.90 0.46 1.69 -1.08 -1.26 -4.71 116.67 120.13 2vvj s ASP 77 Ca 0.76 -3.15 0.20 0.00 -0.52 0.00 0.00 52.55 49.84 2vvj s ASP 77 Cb -0.50 -2.18 1.19 0.00 -1.46 0.00 0.00 42.92 39.96 2vvj s ASP 77 CO 0.33 -0.42 1.93 0.22 0.52 0.00 0.00 175.17 177.76 2vvj h TYR 78 N 7.16 0.32 0.21 -5.34 3.20 -1.92 -2.45 116.97 118.15 2vvj h TYR 78 Ca 0.14 0.01 -0.33 0.00 3.14 0.00 0.00 58.73 61.69 2vvj h TYR 78 Cb 0.95 -0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.14 2vvj h TYR 78 CO 0.89 0.11 -1.54 0.74 -1.64 0.00 0.00 178.16 176.72 2vvj h PHE 79 N 0.27 0.80 0.00 -3.82 -1.00 -1.90 -2.57 116.94 108.71 2vvj h PHE 79 Ca 0.35 -0.58 -0.10 0.00 2.81 0.00 0.00 57.97 60.45 2vvj h PHE 79 Cb 1.00 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 2vvj h PHE 79 CO -0.00 1.60 -0.50 0.87 -1.61 0.00 0.00 178.31 178.67 2vvj h LYS 80 N 0.05 0.00 0.00 1.51 1.57 -1.88 -2.81 116.57 115.01 2vvj h LYS 80 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2vvj h LYS 80 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 2vvj h LYS 80 CO 0.21 0.50 0.00 1.04 -0.57 0.00 0.00 179.45 180.62 2vvj n GLN 81 N -3.57 0.11 0.07 3.15 1.13 -0.93 -3.10 117.38 114.24 2vvj n GLN 81 Ca -0.00 0.22 0.13 0.00 -1.94 0.00 0.00 57.00 55.41 2vvj n GLN 81 Cb 0.59 -1.67 0.42 0.00 0.11 0.00 0.00 30.24 29.69 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 -1.87 0.59 -4.95 1.08 7.64 -0.97 -4.87 113.62 110.27 2vvj n SER 82 Ca 0.05 0.46 -0.24 0.00 1.01 0.00 0.00 58.87 60.14 2vvj n SER 82 Cb 0.29 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.08 3.46 -1.00 1.43 0.40 -1.18 0.09 117.98 118.10 2vvj s PHE 83 Ca 0.11 0.06 0.26 0.00 -0.60 0.00 0.00 56.93 56.77 2vvj s PHE 83 Cb 0.14 -1.63 1.13 0.00 0.51 0.00 0.00 43.02 43.18 2vvj s PHE 83 CO 0.60 0.49 1.85 -0.35 0.70 0.00 0.00 175.22 178.51 2vvj n PRO 84 N -0.86 0.00 0.11 0.24 -0.04 -1.20 -4.45 135.00 128.81 2vvj n PRO 84 Ca -0.08 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2vvj n PRO 84 Cb 0.55 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 2vvj n PRO 84 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2vvj h LYS 85 N 0.00 0.19 0.00 0.54 1.57 -1.91 -3.38 116.57 113.58 2vvj h LYS 85 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2vvj h LYS 85 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2vvj h LYS 85 CO 0.00 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 2vvj n GLY 86 N -0.25 -2.98 3.50 3.86 0.00 0.11 -4.80 105.19 104.63 2vvj n GLY 86 Ca -0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.49 0.27 0.17 1.61 1.13 -0.94 -0.82 117.35 118.28 2vvj s TYR 87 Ca 0.00 -0.62 0.09 0.00 -1.41 0.00 0.00 57.07 55.12 2vvj s TYR 87 Cb 0.00 0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2vvj s TYR 87 CO 0.00 -0.89 -0.18 -1.12 -2.51 0.00 0.00 175.55 170.85 2vvj s SER 88 N -2.97 2.72 0.09 -0.18 0.01 -0.02 -1.03 113.70 112.32 2vvj s SER 88 Ca 0.18 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.60 2vvj s SER 88 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2vvj s SER 88 CO 0.04 -0.04 -0.11 -1.66 0.41 0.00 0.00 173.24 171.88 2vvj s TRP 89 N -2.15 1.10 0.02 2.43 1.48 -0.57 -0.91 118.94 120.33 2vvj s TRP 89 Ca 0.17 -0.62 0.07 0.00 -1.06 0.00 0.00 56.10 54.66 2vvj s TRP 89 Cb -0.05 -0.60 -0.02 0.00 -1.16 0.00 0.00 33.47 31.64 2vvj s TRP 89 CO 0.07 0.02 -0.20 -1.21 -4.06 0.00 0.00 176.95 171.57 2vvj s GLU 90 N -2.62 1.48 -0.02 3.25 2.02 -0.76 -1.76 118.70 120.29 2vvj s GLU 90 Ca 0.04 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 2vvj s GLU 90 Cb -0.04 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2vvj s GLU 90 CO 0.01 0.40 0.05 0.50 0.02 0.00 0.00 175.26 176.24 2vvj s ARG 91 N -0.87 0.12 -0.06 1.61 3.52 0.27 -0.78 118.95 122.74 2vvj s ARG 91 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.69 2vvj s ARG 91 Cb -0.08 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2vvj s ARG 91 CO 0.01 -0.02 -0.14 -1.54 -0.81 0.00 0.00 175.30 172.79 2vvj s SER 92 N -0.20 4.00 -0.25 -2.12 1.04 -0.32 -0.84 113.70 115.01 2vvj s SER 92 Ca -0.02 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2vvj s SER 92 Cb -0.02 -0.99 0.04 0.00 0.10 0.00 0.00 66.02 65.16 2vvj s SER 92 CO 0.00 0.31 -0.09 -0.76 0.98 0.00 0.00 173.24 173.68 2vvj s LEU 93 N -0.51 3.28 -0.34 2.42 1.43 0.13 -1.96 118.68 123.13 2vvj s LEU 93 Ca 0.07 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.95 2vvj s LEU 93 Cb -0.12 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.54 2vvj s LEU 93 CO 0.02 -0.16 0.12 -0.89 0.23 0.00 0.00 176.35 175.66 2vvj s THR 94 N 1.21 3.92 0.30 5.49 2.01 -0.24 -0.65 115.64 127.68 2vvj s THR 94 Ca -0.04 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.85 2vvj s THR 94 Cb -0.18 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2vvj s THR 94 CO -0.05 -0.16 0.58 -0.36 -0.69 0.00 0.00 174.62 173.93 2vvj s PHE 95 N 1.44 3.47 0.33 4.92 0.40 -0.08 -0.40 117.98 128.05 2vvj s PHE 95 Ca -0.01 0.71 0.36 0.00 -0.60 0.00 0.00 56.93 57.39 2vvj s PHE 95 Cb -0.19 -2.16 1.72 0.00 0.51 0.00 0.00 43.02 42.91 2vvj s PHE 95 CO 0.03 0.15 2.12 1.05 0.70 0.00 0.00 175.22 179.27 2vvj h GLU 96 N 1.70 0.00 -0.59 0.44 4.11 -1.58 -2.47 114.58 116.20 2vvj h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2vvj h GLU 96 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2vvj h GLU 96 CO 0.66 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 2vvj n ASP 97 N -3.16 5.26 0.00 3.06 5.75 -1.26 -4.94 116.55 121.26 2vvj n ASP 97 Ca -0.01 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 2vvj n ASP 97 Cb 0.22 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 0.76 0.95 3.72 6.12 0.00 -0.93 -4.70 105.19 111.11 2vvj n GLY 98 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.15 1.54 -0.05 -0.02 0.00 -1.20 -4.74 107.32 100.71 2vvj s GLY 99 Ca 0.00 1.46 0.02 0.00 0.00 0.00 0.00 44.72 46.20 2vvj s GLY 99 CO 0.00 2.68 -0.07 -0.42 0.00 0.00 0.00 173.10 175.29 2vvj s ILE 100 N 0.97 0.72 0.08 0.90 1.01 -0.46 -0.91 121.20 123.51 2vvj s ILE 100 Ca 0.70 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 61.20 2vvj s ILE 100 Cb -0.46 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2vvj s ILE 100 CO 0.34 0.26 -0.26 0.00 0.00 0.00 0.00 174.94 175.28 2vvj s ILE 102 N -0.90 2.16 0.02 0.00 -5.25 0.60 0.19 121.20 118.02 2vvj s ILE 102 Ca 0.13 -1.54 -0.01 0.00 -0.99 0.00 0.00 60.65 58.23 2vvj s ILE 102 Cb -0.10 -1.88 -0.02 0.00 2.95 0.00 0.00 42.46 43.42 2vvj s ILE 102 CO 0.04 0.23 0.00 0.00 -1.79 0.00 0.00 174.94 173.42 2vvj s ALA 103 N -0.92 0.05 0.06 2.27 0.00 -0.02 -0.63 121.76 122.57 2vvj s ALA 103 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2vvj s ALA 103 Cb -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2vvj s ALA 103 CO 0.04 -0.18 -0.09 1.03 0.00 0.00 0.00 175.76 176.56 2vvj s ARG 104 N -1.55 0.64 -0.12 0.00 0.52 -0.27 -0.57 118.95 117.60 2vvj s ARG 104 Ca -0.15 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2vvj s ARG 104 Cb -0.09 -0.41 0.05 0.00 0.52 0.00 0.00 34.95 35.03 2vvj s ARG 104 CO -0.01 0.07 0.25 1.21 0.02 0.00 0.00 175.30 176.84 2vvj s ASN 105 N -1.82 0.05 -0.37 0.23 2.47 -0.72 -1.30 114.94 113.47 2vvj s ASN 105 Ca -0.05 0.55 -0.13 0.00 0.42 0.00 0.00 52.86 53.65 2vvj s ASN 105 Cb -0.08 0.54 0.01 0.00 -1.45 0.00 0.00 41.25 40.27 2vvj s ASN 105 CO 0.00 -0.20 0.25 -1.81 -3.72 0.00 0.00 177.10 171.62 2vvj s ASP 106 N 1.82 5.94 -0.27 -4.21 1.01 -0.51 -1.52 116.67 118.93 2vvj s ASP 106 Ca -0.04 -0.77 -0.09 0.00 0.71 0.00 0.00 52.55 52.36 2vvj s ASP 106 Cb -0.11 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2vvj s ASP 106 CO -0.08 -0.35 0.11 -0.63 0.21 0.00 0.00 175.17 174.42 2vvj s ILE 107 N 1.65 4.57 0.38 0.77 1.01 -0.20 -2.26 121.20 127.12 2vvj s ILE 107 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2vvj s ILE 107 Cb -0.18 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 2vvj s ILE 107 CO 0.09 0.26 0.03 0.42 0.00 0.00 0.00 174.94 175.74 2vvj s THR 108 N 1.64 1.60 -0.02 2.92 -4.23 -0.72 -2.22 115.64 114.61 2vvj s THR 108 Ca 0.06 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2vvj s THR 108 Cb -0.16 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2vvj s THR 108 CO 0.06 0.00 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.79 2vvj s MET 109 N -3.79 0.45 -0.27 3.99 1.75 -1.26 -0.41 119.30 119.75 2vvj s MET 109 Ca 0.34 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 2vvj s MET 109 Cb 0.09 -0.51 0.09 0.00 2.84 0.00 0.00 34.83 37.33 2vvj s MET 109 CO 0.16 -0.04 0.08 -1.21 -0.65 0.00 0.00 175.02 173.37 2vvj s GLU 110 N 0.58 0.64 6.70 4.11 2.02 -0.60 -4.99 118.70 127.18 2vvj s GLU 110 Ca -0.06 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2vvj s GLU 110 Cb -0.10 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2vvj s GLU 110 CO -0.01 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.79 2vvj n GLY 111 N 4.96 2.14 1.16 -1.39 0.00 -1.26 -2.70 105.19 108.09 2vvj n GLY 111 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 10.31 3.91 -4.16 1.61 5.75 -1.26 -4.94 116.55 127.78 2vvj n ASP 112 Ca 0.00 -2.27 -0.29 0.00 -0.01 0.00 0.00 54.79 52.22 2vvj n ASP 112 Cb 0.00 -0.45 -0.17 0.00 -1.03 0.00 0.00 41.12 39.48 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 -1.50 1.68 0.08 2.12 2.01 -1.10 -0.15 115.64 118.79 2vvj s THR 113 Ca 0.41 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 2vvj s THR 113 Cb 0.25 -1.46 -0.07 0.00 0.01 0.00 0.00 72.50 71.23 2vvj s THR 113 CO 0.22 0.48 0.67 -0.36 -0.69 0.00 0.00 174.62 174.94 2vvj s PHE 114 N 0.28 3.81 -0.13 4.92 0.08 -0.23 -1.55 117.98 125.15 2vvj s PHE 114 Ca -0.12 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.34 2vvj s PHE 114 Cb -0.15 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2vvj s PHE 114 CO 0.05 0.47 -0.13 0.71 -0.10 0.00 0.00 175.22 176.23 2vvj s TYR 115 N -0.77 2.82 -0.25 0.36 1.51 0.46 -0.35 117.35 121.13 2vvj s TYR 115 Ca 0.33 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2vvj s TYR 115 Cb -0.21 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2vvj s TYR 115 CO 0.22 -0.18 -0.12 -0.80 -1.11 0.00 0.00 175.55 173.56 2vvj s ASN 116 N 0.29 4.24 -0.53 2.29 0.01 -0.36 -1.76 114.94 119.12 2vvj s ASN 116 Ca -0.10 -1.26 -0.18 0.00 -0.71 0.00 0.00 52.86 50.62 2vvj s ASN 116 Cb -0.16 -1.55 0.08 0.00 0.41 0.00 0.00 41.25 40.04 2vvj s ASN 116 CO 0.05 -0.16 0.60 -0.75 -1.51 0.00 0.00 177.10 175.33 2vvj s LYS 117 N 1.14 3.06 -0.09 -0.60 2.20 -0.96 -1.58 119.74 122.92 2vvj s LYS 117 Ca -0.06 -1.16 0.01 0.00 -0.36 0.00 0.00 55.97 54.39 2vvj s LYS 117 Cb -0.19 -4.17 -0.02 0.00 -1.51 0.00 0.00 37.83 31.94 2vvj s LYS 117 CO -0.06 -1.28 -0.10 0.08 -0.36 0.00 0.00 175.35 173.62 2vvj s VAL 118 N 2.38 3.36 0.04 4.02 1.01 -0.37 -1.43 120.40 129.42 2vvj s VAL 118 Ca 0.11 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2vvj s VAL 118 Cb -0.22 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2vvj s VAL 118 CO 0.09 0.56 -0.23 -0.13 0.00 0.00 0.00 175.10 175.39 2vvj s ARG 119 N -0.34 1.61 -0.10 2.72 1.81 -0.42 -1.61 118.95 122.62 2vvj s ARG 119 Ca 0.04 -1.00 -0.04 0.00 -1.72 0.00 0.00 55.73 53.01 2vvj s ARG 119 Cb -0.13 -1.73 0.05 0.00 -0.45 0.00 0.00 34.95 32.70 2vvj s ARG 119 CO 0.02 0.45 0.21 0.12 -0.68 0.00 0.00 175.30 175.42 2vvj s PHE 120 N -0.77 -0.29 -0.05 -0.53 2.19 -0.82 -1.11 117.98 116.60 2vvj s PHE 120 Ca 0.09 0.77 0.02 0.00 0.33 0.00 0.00 56.93 58.15 2vvj s PHE 120 Cb -0.09 -0.14 0.01 0.00 -1.31 0.00 0.00 43.02 41.49 2vvj s PHE 120 CO 0.02 -0.30 -0.11 -1.01 1.83 0.00 0.00 175.22 175.65 2vvj s HIS 121 N 2.24 1.27 -0.03 10.12 3.76 0.20 -0.90 115.29 131.95 2vvj s HIS 121 Ca 0.01 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2vvj s HIS 121 Cb -0.12 -0.93 0.01 0.00 1.11 0.00 0.00 32.58 32.64 2vvj s HIS 121 CO -0.07 -0.21 -0.08 0.20 -0.85 0.00 0.00 174.74 173.73 2vvj s GLY 122 N 0.53 0.52 0.20 -2.22 0.00 -0.10 -0.29 107.32 105.96 2vvj s GLY 122 Ca -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2vvj s GLY 122 CO 0.02 0.06 -0.06 -1.34 0.00 0.00 0.00 173.10 171.78 2vvj s VAL 123 N 0.40 1.19 -1.44 1.40 -7.23 0.16 -1.65 120.40 113.24 2vvj s VAL 123 Ca -0.06 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 2vvj s VAL 123 Cb -0.10 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2vvj s VAL 123 CO 0.01 -0.52 0.00 0.59 -0.31 0.00 0.00 175.10 174.87 2vvj n ASN 124 N -0.34 -4.79 -4.66 4.85 3.02 -1.26 -1.36 115.26 110.72 2vvj n ASN 124 Ca -0.07 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 2vvj n ASN 124 Cb 0.62 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 35.91 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 -2.75 3.29 0.39 3.10 0.08 -1.26 -3.21 117.98 117.63 2vvj s PHE 125 Ca 0.00 1.42 -0.27 0.00 0.12 0.00 0.00 56.93 58.19 2vvj s PHE 125 Cb 0.00 -3.29 -0.11 0.00 -0.57 0.00 0.00 43.02 39.05 2vvj s PHE 125 CO 0.00 -0.63 1.45 -2.30 -0.10 0.00 0.00 175.22 173.64 2vvj n PRO 126 N 6.17 2.51 -0.14 0.24 -0.02 -1.26 -4.90 135.00 137.61 2vvj n PRO 126 Ca 0.12 0.88 0.13 0.00 -2.02 0.00 0.00 63.50 62.62 2vvj n PRO 126 Cb 0.46 -2.62 0.49 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.75 2.05 -0.33 3.55 0.00 -1.99 -2.13 119.26 123.15 2vvj h ALA 127 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2vvj h ALA 127 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vvj h ALA 127 CO 0.63 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.75 2vvj n ASN 128 N -4.48 4.06 -4.90 0.00 3.02 -1.26 -4.39 115.26 107.31 2vvj n ASN 128 Ca 0.12 -2.85 -0.29 0.00 -0.03 0.00 0.00 54.58 51.54 2vvj n ASN 128 Cb 0.45 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.61 1.61 0.57 7.41 0.00 -0.80 -4.87 107.32 109.63 2vvj s GLY 129 Ca 0.42 -0.65 0.34 0.00 0.00 0.00 0.00 44.72 44.83 2vvj s GLY 129 CO 0.11 -0.19 2.14 -0.56 0.00 0.00 0.00 173.10 174.60 2vvj h PRO 130 N -0.93 0.00 0.13 2.90 0.13 -1.94 -1.45 132.00 130.83 2vvj h PRO 130 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2vvj h PRO 130 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2vvj h PRO 130 CO 0.65 0.05 -0.06 0.28 -0.23 0.00 0.00 178.00 178.69 2vvj h VAL 131 N 0.00 0.75 0.00 1.56 2.07 -1.93 0.83 116.25 119.53 2vvj h VAL 131 Ca -0.00 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2vvj h VAL 131 Cb 0.28 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2vvj h VAL 131 CO 0.01 0.22 -0.25 0.24 0.02 0.00 0.00 177.57 177.81 2vvj h MET 132 N -0.94 0.00 -0.01 1.57 2.86 -1.78 0.07 114.93 116.71 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 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2vvj h MET 132 CO 0.03 0.25 -0.17 1.04 1.06 0.00 0.00 176.91 179.12 2vvj n GLN 133 N -3.50 1.29 -3.52 1.72 1.13 -0.55 -4.74 117.38 109.22 2vvj n GLN 133 Ca -0.00 -0.84 -0.21 0.00 -1.94 0.00 0.00 57.00 54.01 2vvj n GLN 133 Cb 0.41 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.12 -3.47 -0.22 -1.09 5.02 -0.68 -4.93 118.16 112.67 2vvj n LYS 134 Ca 0.14 0.69 0.09 0.00 -2.02 0.00 0.00 58.31 57.21 2vvj n LYS 134 Cb 0.39 -5.23 0.20 0.00 -0.02 0.00 0.00 35.03 30.37 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 -3.91 2.52 -3.16 1.97 4.76 0.20 -4.99 118.16 115.54 2vvj n LYS 135 Ca -0.18 -2.18 -0.33 0.00 -2.87 0.00 0.00 58.31 52.75 2vvj n LYS 135 Cb 0.64 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.37 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 -1.08 4.68 -0.12 -0.18 -4.23 -1.26 -1.44 115.64 112.01 2vvj s THR 136 Ca 0.32 0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 61.80 2vvj s THR 136 Cb 0.18 -3.68 -0.07 0.00 1.34 0.00 0.00 72.50 70.27 2vvj s THR 136 CO 0.24 -0.06 -0.12 0.18 -0.54 0.00 0.00 174.62 174.31 2vvj n LEU 137 N -0.03 2.15 -3.55 4.79 4.77 0.12 -4.86 117.00 120.39 2vvj n LEU 137 Ca 0.01 0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 2vvj n LEU 137 Cb 0.52 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2vvj n LEU 137 CO 0.42 0.52 0.84 -1.59 -1.33 0.00 0.00 177.39 176.25 2vvj s LYS 138 N -2.23 0.57 0.13 3.23 -2.85 -1.23 -4.99 119.74 112.37 2vvj s LYS 138 Ca -0.16 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.31 2vvj s LYS 138 Cb 0.05 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2vvj s LYS 138 CO 0.25 -0.25 1.13 -1.58 0.10 0.00 0.00 175.35 175.00 2vvj s TRP 139 N -2.71 3.54 0.59 1.78 0.52 -1.26 -0.19 118.94 121.21 2vvj s TRP 139 Ca 0.07 1.50 -0.17 0.00 0.02 0.00 0.00 56.10 57.52 2vvj s TRP 139 Cb -0.01 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 2vvj s TRP 139 CO -0.07 -0.82 1.08 -1.21 0.02 0.00 0.00 176.95 175.96 2vvj s GLU 140 N 0.22 3.24 0.38 4.98 0.41 -0.51 -4.72 118.70 122.70 2vvj s GLU 140 Ca 0.53 1.33 -0.26 0.00 -0.41 0.00 0.00 54.97 56.16 2vvj s GLU 140 Cb -0.29 -2.01 -0.11 0.00 -1.78 0.00 0.00 34.13 29.94 2vvj s GLU 140 CO 0.33 -0.89 1.14 -0.35 -0.49 0.00 0.00 175.26 174.99 2vvj n PRO 141 N -1.91 1.67 -4.31 0.39 -0.04 -1.26 -4.77 135.00 124.76 2vvj n PRO 141 Ca 0.10 0.59 -0.18 0.00 -0.04 0.00 0.00 63.50 63.96 2vvj n PRO 141 Cb 0.52 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 2vvj n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2vvj s SER 142 N -0.56 1.46 -0.09 3.54 1.04 -0.39 -4.97 113.70 113.72 2vvj s SER 142 Ca 0.60 -1.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.42 2vvj s SER 142 Cb -0.57 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.02 2vvj s SER 142 CO 0.59 -0.93 -0.01 -0.89 0.98 0.00 0.00 173.24 172.97 2vvj s THR 143 N -3.61 0.51 -0.07 2.02 2.01 -1.26 -0.71 115.64 114.52 2vvj s THR 143 Ca 0.37 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 2vvj s THR 143 Cb 0.04 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2vvj s THR 143 CO 0.19 0.25 0.66 -0.70 -0.69 0.00 0.00 174.62 174.33 2vvj s GLU 144 N 1.92 4.42 -0.41 4.92 2.12 0.80 -4.50 118.70 127.96 2vvj s GLU 144 Ca 0.05 0.81 -0.18 0.00 0.36 0.00 0.00 54.97 56.01 2vvj s GLU 144 Cb -0.13 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.83 2vvj s GLU 144 CO -0.06 0.08 0.47 0.15 -0.54 0.00 0.00 175.26 175.36 2vvj s LYS 145 N 0.76 3.23 -0.21 4.30 3.01 0.44 -0.72 119.74 130.56 2vvj s LYS 145 Ca 0.36 -0.60 -0.10 0.00 -1.01 0.00 0.00 55.97 54.61 2vvj s LYS 145 Cb -0.17 -3.93 -0.05 0.00 -1.01 0.00 0.00 37.83 32.67 2vvj s LYS 145 CO 0.17 -0.82 0.15 -1.64 0.51 0.00 0.00 175.35 173.72 2vvj s MET 146 N 2.26 4.16 0.18 1.68 -1.94 0.05 -1.24 119.30 124.44 2vvj s MET 146 Ca 0.14 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 53.68 2vvj s MET 146 Cb -0.16 -3.46 0.06 0.00 2.01 0.00 0.00 34.83 33.28 2vvj s MET 146 CO 0.14 0.22 0.61 1.52 -0.01 0.00 0.00 175.02 177.50 2vvj s TYR 147 N 0.59 -0.45 -0.14 -0.03 -0.85 0.09 -1.94 117.35 114.62 2vvj s TYR 147 Ca 0.08 0.19 -0.17 0.00 -0.52 0.00 0.00 57.07 56.65 2vvj s TYR 147 Cb -0.12 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 2vvj s TYR 147 CO 0.00 -0.91 0.41 0.08 -1.52 0.00 0.00 175.55 173.61 2vvj s VAL 148 N -3.79 5.23 -0.06 -3.49 1.01 -1.26 0.23 120.40 118.27 2vvj s VAL 148 Ca 0.03 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 2vvj s VAL 148 Cb -0.02 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2vvj s VAL 148 CO -0.09 0.34 -0.02 -0.60 0.00 0.00 0.00 175.10 174.73 2vvj s ARG 149 N 0.59 0.73 -1.43 2.72 6.06 -0.67 -4.85 118.95 122.10 2vvj s ARG 149 Ca 0.23 -0.01 -0.04 0.00 -2.50 0.00 0.00 55.73 53.41 2vvj s ARG 149 Cb -0.14 -0.91 0.03 0.00 0.06 0.00 0.00 34.95 33.99 2vvj s ARG 149 CO 0.08 -0.19 0.58 -3.47 -2.50 0.00 0.00 175.30 169.81 2vvj n ASP 150 N 4.56 -1.31 -0.60 -2.12 2.03 -1.26 -2.06 116.55 115.78 2vvj n ASP 150 Ca -0.17 -0.94 -0.08 0.00 0.52 0.00 0.00 54.79 54.12 2vvj n ASP 150 Cb 0.50 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.53 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 -1.79 0.93 2.98 0.27 0.00 -1.26 -5.00 105.19 101.32 2vvj n GLY 151 Ca -0.23 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.09 0.96 0.12 1.61 1.01 -0.88 -5.10 120.40 116.03 2vvj s VAL 152 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 2vvj s VAL 152 Cb 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 2vvj s VAL 152 CO 0.00 0.32 1.75 -0.22 0.00 0.00 0.00 175.10 176.95 2vvj s LEU 153 N 0.77 4.39 -0.04 3.92 2.96 -1.25 -1.68 118.68 127.75 2vvj s LEU 153 Ca -0.13 2.68 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 2vvj s LEU 153 Cb -0.15 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2vvj s LEU 153 CO 0.02 -0.96 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.06 2vvj s THR 154 N 2.50 1.20 -0.17 3.68 2.01 0.13 -0.77 115.64 124.23 2vvj s THR 154 Ca 0.78 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2vvj s THR 154 Cb -0.44 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.03 2vvj s THR 154 CO 0.34 0.35 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.62 2vvj s GLY 155 N 0.09 1.43 -0.09 4.40 0.00 0.35 -0.74 107.32 112.76 2vvj s GLY 155 Ca -0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 2vvj s GLY 155 CO 0.01 0.16 -0.05 0.99 0.00 0.00 0.00 173.10 174.22 2vvj s ASP 156 N 1.09 4.77 -0.03 1.64 1.01 -0.37 -0.74 116.67 124.03 2vvj s ASP 156 Ca -0.00 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.25 2vvj s ASP 156 Cb -0.14 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.45 2vvj s ASP 156 CO -0.06 0.32 -0.03 -0.63 0.21 0.00 0.00 175.17 174.98 2vvj s ILE 157 N -0.58 0.39 -0.64 0.77 1.01 -0.38 -0.42 121.20 121.35 2vvj s ILE 157 Ca 0.09 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 2vvj s ILE 157 Cb -0.12 -0.41 0.05 0.00 0.01 0.00 0.00 42.46 41.99 2vvj s ILE 157 CO 0.02 0.17 1.03 -0.89 0.00 0.00 0.00 174.94 175.27 2vvj s THR 158 N 0.67 4.21 0.20 2.92 2.01 -1.26 -1.70 115.64 122.70 2vvj s THR 158 Ca -0.08 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.01 2vvj s THR 158 Cb -0.11 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.67 2vvj s THR 158 CO -0.00 -1.43 0.12 -0.04 -0.69 0.00 0.00 174.62 172.57 2vvj s MET 159 N 4.39 2.76 -0.12 4.92 1.00 0.09 -4.74 119.30 127.60 2vvj s MET 159 Ca 0.28 -1.02 -0.06 0.00 0.00 0.00 0.00 55.69 54.88 2vvj s MET 159 Cb -0.14 -2.52 0.05 0.00 0.00 0.00 0.00 34.83 32.22 2vvj s MET 159 CO 0.14 0.44 0.29 0.00 0.00 0.00 0.00 175.02 175.89 2vvj s ALA 160 N -1.92 -0.68 -0.15 3.03 0.00 -1.26 -1.30 121.76 119.48 2vvj s ALA 160 Ca 0.31 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 53.20 2vvj s ALA 160 Cb -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 2vvj s ALA 160 CO 0.23 -0.25 0.58 -0.51 0.00 0.00 0.00 175.76 175.81 2vvj s LEU 161 N 1.38 4.21 0.24 0.00 1.43 0.65 -1.42 118.68 125.18 2vvj s LEU 161 Ca -0.09 0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 2vvj s LEU 161 Cb -0.10 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 2vvj s LEU 161 CO -0.10 -0.15 1.27 -0.22 0.23 0.00 0.00 176.35 177.38 2vvj s LEU 162 N 1.30 4.44 0.32 1.79 2.96 0.74 -0.66 118.68 129.56 2vvj s LEU 162 Ca 0.29 2.42 0.09 0.00 -0.22 0.00 0.00 54.13 56.72 2vvj s LEU 162 Cb -0.16 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 2vvj s LEU 162 CO 0.12 -0.46 0.02 -0.76 -1.32 0.00 0.00 176.35 173.95 2vvj s LEU 163 N -0.67 3.06 0.11 -0.68 1.43 0.14 0.14 118.68 122.19 2vvj s LEU 163 Ca 0.53 -0.88 -0.35 0.00 -1.03 0.00 0.00 54.13 52.40 2vvj s LEU 163 Cb -0.36 -1.49 -0.17 0.00 0.03 0.00 0.00 46.19 44.20 2vvj s LEU 163 CO 0.42 -0.18 1.12 1.21 0.23 0.00 0.00 176.35 179.14 2vvj n GLU 164 N -0.96 0.72 -0.72 1.70 2.13 -0.52 -1.25 120.64 121.74 2vvj n GLU 164 Ca -0.04 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2vvj n GLU 164 Cb 0.61 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.58 2vvj n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vvj n GLY 165 N 2.00 0.75 2.35 8.31 0.00 -1.26 -3.95 105.19 113.39 2vvj n GLY 165 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -5.24 -4.90 1.61 3.02 -0.38 -5.04 115.26 104.34 2vvj n ASN 166 Ca 0.00 0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 2vvj n ASN 166 Cb 0.00 -4.31 0.08 0.00 -0.61 0.00 0.00 39.78 34.94 2vvj n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vvj s ALA 167 N -2.88 2.83 0.08 5.41 0.00 -1.23 -4.87 121.76 121.11 2vvj s ALA 167 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.26 2vvj s ALA 167 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2vvj s ALA 167 CO 0.00 -1.55 -0.17 -1.01 0.00 0.00 0.00 175.76 173.03 2vvj s HIS 168 N -3.46 1.46 -0.18 0.00 3.76 -1.26 -0.69 115.29 114.92 2vvj s HIS 168 Ca 0.61 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 2vvj s HIS 168 Cb -0.11 -0.81 0.04 0.00 1.11 0.00 0.00 32.58 32.81 2vvj s HIS 168 CO 0.47 0.12 -0.10 -0.47 -0.85 0.00 0.00 174.74 173.92 2vvj s TYR 169 N -1.23 2.20 0.18 1.40 5.04 0.16 -4.95 117.35 120.16 2vvj s TYR 169 Ca 0.02 -1.39 -0.17 0.00 -2.44 0.00 0.00 57.07 53.09 2vvj s TYR 169 Cb -0.10 -1.56 -0.08 0.00 0.35 0.00 0.00 41.96 40.58 2vvj s TYR 169 CO 0.03 -0.70 0.63 1.03 -1.34 0.00 0.00 175.55 175.20 2vvj s ARG 170 N 1.47 4.10 -0.03 4.97 1.81 -1.26 -0.25 118.95 129.76 2vvj s ARG 170 Ca 0.01 0.66 -0.01 0.00 -1.72 0.00 0.00 55.73 54.67 2vvj s ARG 170 Cb -0.15 -2.90 0.03 0.00 -0.45 0.00 0.00 34.95 31.48 2vvj s ARG 170 CO -0.09 0.44 0.05 0.00 -0.68 0.00 0.00 175.30 175.02 2vvj s ASP 172 N 1.03 5.98 -0.12 0.00 1.01 0.46 -0.73 116.67 124.30 2vvj s ASP 172 Ca -0.08 0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.20 2vvj s ASP 172 Cb -0.12 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2vvj s ASP 172 CO -0.03 0.03 -0.03 -0.55 0.21 0.00 0.00 175.17 174.79 2vvj s SER 173 N 1.30 4.91 -0.10 0.27 0.15 -0.69 -1.08 113.70 118.46 2vvj s SER 173 Ca 0.07 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.70 2vvj s SER 173 Cb -0.14 -1.57 0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2vvj s SER 173 CO 0.06 0.27 -0.11 -0.60 1.20 0.00 0.00 173.24 174.06 2vvj s ARG 174 N -0.23 1.75 -0.06 5.44 3.52 -0.83 -1.25 118.95 127.29 2vvj s ARG 174 Ca 0.04 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.32 2vvj s ARG 174 Cb -0.13 -1.60 -0.02 0.00 -1.56 0.00 0.00 34.95 31.64 2vvj s ARG 174 CO 0.02 -0.13 -0.21 0.99 -0.81 0.00 0.00 175.30 175.17 2vvj s THR 175 N 1.21 2.46 -0.11 4.11 2.01 0.08 -1.17 115.64 124.22 2vvj s THR 175 Ca -0.04 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2vvj s THR 175 Cb -0.14 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2vvj s THR 175 CO -0.03 0.57 -0.10 0.42 -0.69 0.00 0.00 174.62 174.80 2vvj s THR 176 N -0.36 3.40 -0.14 -0.82 -4.23 0.04 -0.50 115.64 113.03 2vvj s THR 176 Ca 0.03 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2vvj s THR 176 Cb -0.12 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2vvj s THR 176 CO 0.02 0.54 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.19 2vvj s TYR 177 N -0.01 2.80 -0.13 3.99 2.02 0.05 -1.84 117.35 124.24 2vvj s TYR 177 Ca -0.02 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 55.91 2vvj s TYR 177 Cb -0.14 -1.86 0.04 0.00 -0.40 0.00 0.00 41.96 39.60 2vvj s TYR 177 CO 0.03 -0.29 -0.02 0.15 -1.57 0.00 0.00 175.55 173.86 2vvj s LYS 178 N 0.50 0.99 0.44 -0.62 1.02 -0.09 -3.84 119.74 118.14 2vvj s LYS 178 Ca -0.09 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.42 2vvj s LYS 178 Cb -0.16 -1.60 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 2vvj s LYS 178 CO 0.04 -0.41 1.23 0.00 -0.92 0.00 0.00 175.35 175.29 2vvj s ALA 179 N 1.81 3.07 0.11 5.17 0.00 -1.26 -0.84 121.76 129.83 2vvj s ALA 179 Ca 0.03 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 2vvj s ALA 179 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2vvj s ALA 179 CO -0.07 -0.76 1.58 -0.22 0.00 0.00 0.00 175.76 176.29 2vvj h LYS 180 N 2.28 0.57 -6.66 0.00 1.63 -1.26 -3.44 116.57 109.69 2vvj h LYS 180 Ca -0.49 -0.16 -0.50 0.00 -0.85 0.00 0.00 60.65 58.64 2vvj h LYS 180 Cb 1.25 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2vvj h LYS 180 CO 0.61 0.66 0.28 -2.00 -3.45 0.00 0.00 179.45 175.55 2vvj s GLU 181 N -5.15 4.72 0.49 1.90 2.56 -1.26 -5.04 118.70 116.91 2vvj s GLU 181 Ca -0.13 1.34 -0.21 0.00 0.00 0.00 0.00 54.97 55.97 2vvj s GLU 181 Cb 0.09 -3.24 -0.08 0.00 2.00 0.00 0.00 34.13 32.90 2vvj s GLU 181 CO 0.76 0.53 1.08 0.15 -0.56 0.00 0.00 175.26 177.22 2vvj s LYS 182 N -1.23 3.72 -0.90 4.30 1.02 -1.26 -4.03 119.74 121.36 2vvj s LYS 182 Ca 0.39 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.89 2vvj s LYS 182 Cb -0.24 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2vvj s LYS 182 CO 0.29 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2vvj n GLY 183 N 0.04 0.25 3.70 -3.33 0.00 -1.26 -5.00 105.19 99.58 2vvj n GLY 183 Ca 0.09 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.47 4.36 0.12 1.61 1.01 -1.26 -4.97 120.40 118.81 2vvj s VAL 184 Ca 0.00 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 2vvj s VAL 184 Cb 0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2vvj s VAL 184 CO 0.00 0.06 1.65 -0.75 0.00 0.00 0.00 175.10 176.06 2vvj s LYS 185 N 1.65 4.19 0.20 2.72 2.20 -1.26 -4.98 119.74 124.46 2vvj s LYS 185 Ca 0.55 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 58.27 2vvj s LYS 185 Cb -0.25 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2vvj s LYS 185 CO 0.25 -0.71 0.95 -0.51 -0.36 0.00 0.00 175.35 174.98 2vvj s LEU 186 N 1.98 4.59 0.73 5.43 1.43 -1.26 -4.72 118.68 126.86 2vvj s LEU 186 Ca 0.74 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 2vvj s LEU 186 Cb -0.43 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.21 2vvj s LEU 186 CO 0.32 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.91 2vvj s PRO 187 N -0.78 2.66 1.01 1.29 0.04 -1.26 -5.02 135.00 132.94 2vvj s PRO 187 Ca 0.43 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 2vvj s PRO 187 Cb -0.25 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.51 2vvj s PRO 187 CO 0.32 -1.19 1.27 0.20 0.04 0.00 0.00 177.00 177.64 2vvj s GLY 188 N -4.18 1.73 0.21 0.56 0.00 -1.26 -4.71 107.32 99.67 2vvj s GLY 188 Ca 0.59 -1.13 -0.32 0.00 0.00 0.00 0.00 44.72 43.85 2vvj s GLY 188 CO 0.53 -0.35 1.66 2.98 0.00 0.00 0.00 173.10 177.92 2vvj n TYR 189 N -3.97 2.65 -3.93 1.90 9.36 -1.26 -4.78 117.16 117.13 2vvj n TYR 189 Ca 0.15 0.14 -0.10 0.00 3.32 0.00 0.00 57.90 61.40 2vvj n TYR 189 Cb 0.59 -2.63 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 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 0.86 0.40 0.07 2.98 -3.43 -0.82 -4.98 115.29 110.37 2vvj s HIS 190 Ca 0.74 -0.86 0.08 0.00 -0.80 0.00 0.00 55.06 54.22 2vvj s HIS 190 Cb -0.55 0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 31.01 2vvj s HIS 190 CO 0.37 -1.30 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.09 2vvj s LEU 191 N -3.09 2.51 -0.22 5.38 1.43 -0.13 -0.77 118.68 123.79 2vvj s LEU 191 Ca 0.20 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2vvj s LEU 191 Cb -0.03 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.80 2vvj s LEU 191 CO 0.13 0.23 -0.07 -0.69 0.23 0.00 0.00 176.35 176.18 2vvj s VAL 192 N -0.97 1.54 0.28 -1.59 1.01 0.11 -0.47 120.40 120.30 2vvj s VAL 192 Ca 0.15 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2vvj s VAL 192 Cb -0.10 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 2vvj s VAL 192 CO 0.06 -0.01 1.17 -1.81 0.00 0.00 0.00 175.10 174.51 2vvj s ASP 193 N 1.41 7.11 0.02 3.32 1.01 0.09 -0.14 116.67 129.49 2vvj s ASP 193 Ca -0.04 2.38 0.03 0.00 0.71 0.00 0.00 52.55 55.63 2vvj s ASP 193 Cb -0.18 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 2vvj s ASP 193 CO -0.07 -0.28 -0.09 -1.00 0.21 0.00 0.00 175.17 173.94 2vvj s HIS 194 N -1.00 0.82 -0.10 4.23 3.76 0.12 -1.77 115.29 121.34 2vvj s HIS 194 Ca 0.47 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 55.05 2vvj s HIS 194 Cb -0.34 -0.50 0.05 0.00 1.11 0.00 0.00 32.58 32.90 2vvj s HIS 194 CO 0.44 -0.02 0.20 0.00 -0.85 0.00 0.00 174.74 174.51 2vvj s ILE 196 N 1.97 1.80 -0.14 0.00 2.07 -1.26 -1.25 121.20 124.39 2vvj s ILE 196 Ca -0.02 -1.14 -0.08 0.00 -1.41 0.00 0.00 60.65 58.01 2vvj s ILE 196 Cb -0.12 -1.53 0.05 0.00 0.13 0.00 0.00 42.46 40.99 2vvj s ILE 196 CO -0.07 0.36 0.33 -0.70 -1.91 0.00 0.00 174.94 172.95 2vvj s GLU 197 N -0.93 0.31 -0.50 3.50 2.12 0.31 -4.60 118.70 118.92 2vvj s GLU 197 Ca 0.09 0.66 -0.28 0.00 0.36 0.00 0.00 54.97 55.79 2vvj s GLU 197 Cb -0.09 -0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.27 2vvj s GLU 197 CO 0.01 -0.15 1.11 0.42 -0.54 0.00 0.00 175.26 176.11 2vvj s ILE 198 N 1.27 4.21 0.13 -3.70 1.01 -1.26 -0.60 121.20 122.26 2vvj s ILE 198 Ca -0.09 1.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.55 2vvj s ILE 198 Cb -0.09 -4.60 -0.13 0.00 0.01 0.00 0.00 42.46 37.64 2vvj s ILE 198 CO -0.10 -1.05 1.36 -0.07 0.00 0.00 0.00 174.94 175.08 2vvj h LEU 199 N 11.26 0.81 -7.19 2.97 3.38 -0.58 -3.47 115.31 122.49 2vvj h LEU 199 Ca -0.24 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 2vvj h LEU 199 Cb 1.06 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 2vvj h LEU 199 CO 1.12 1.30 0.07 -0.94 0.09 0.00 0.00 178.44 180.08 2vvj s SER 200 N -7.05 -0.41 -0.01 -0.43 1.04 -1.20 -5.01 113.70 100.63 2vvj s SER 200 Ca -0.09 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.93 2vvj s SER 200 Cb 0.09 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.83 2vvj s SER 200 CO 0.88 -0.90 0.72 -1.38 0.98 0.00 0.00 173.24 173.54 2vvj s HIS 201 N -3.67 -0.57 0.77 5.02 -3.43 -1.26 -0.66 115.29 111.50 2vvj s HIS 201 Ca 0.01 0.79 -0.09 0.00 -0.80 0.00 0.00 55.06 54.97 2vvj s HIS 201 Cb 0.00 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.70 2vvj s HIS 201 CO -0.12 -0.63 1.11 0.16 -2.00 0.00 0.00 174.74 173.26 2vvj s ASP 202 N -1.68 4.55 0.26 7.38 1.47 -0.88 -4.95 116.67 122.82 2vvj s ASP 202 Ca -0.05 0.56 -0.05 0.00 1.18 0.00 0.00 52.55 54.18 2vvj s ASP 202 Cb -0.00 -1.10 0.49 0.00 -0.34 0.00 0.00 42.92 41.97 2vvj s ASP 202 CO 0.02 -1.82 1.63 0.50 0.68 0.00 0.00 175.17 176.17 2vvj h LYS 203 N -0.87 0.09 -0.56 2.11 3.64 -2.02 -1.45 116.57 117.51 2vvj h LYS 203 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2vvj h LYS 203 Cb 1.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2vvj h LYS 203 CO 0.61 0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 2vvj n ASP 204 N -5.37 3.58 -2.07 4.20 8.00 -1.26 -4.95 116.55 118.68 2vvj n ASP 204 Ca 0.15 -1.99 -0.19 0.00 0.71 0.00 0.00 54.79 53.48 2vvj n ASP 204 Cb 0.52 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.81 0.13 1.24 4.02 -0.55 -4.34 117.16 118.35 2vvj n TYR 205 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 2vvj n TYR 205 Cb 0.59 -3.62 0.10 0.00 -0.02 0.00 0.00 39.34 36.39 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 -3.32 7.72 2.35 -1.93 -3.43 115.58 116.97 2vvj h ASN 206 Ca -0.44 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.73 2vvj h ASN 206 Cb 1.32 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.35 2vvj h ASN 206 CO 0.53 0.61 -0.83 -0.54 -1.65 0.00 0.00 177.43 175.54 2vvj s LYS 207 N -3.19 2.17 -0.01 0.81 1.02 -1.26 -0.59 119.74 118.68 2vvj s LYS 207 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2vvj s LYS 207 Cb 0.10 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.63 2vvj s LYS 207 CO 0.75 -0.01 -0.00 0.08 -0.92 0.00 0.00 175.35 175.25 2vvj s VAL 208 N 0.82 0.12 -0.24 3.17 1.01 -0.56 -2.08 120.40 122.65 2vvj s VAL 208 Ca -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2vvj s VAL 208 Cb -0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2vvj s VAL 208 CO 0.01 0.09 0.08 -0.75 0.00 0.00 0.00 175.10 174.53 2vvj s LYS 209 N 0.51 3.72 0.09 2.72 2.20 0.17 0.26 119.74 129.40 2vvj s LYS 209 Ca -0.05 -0.45 0.08 0.00 -0.36 0.00 0.00 55.97 55.19 2vvj s LYS 209 Cb -0.07 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2vvj s LYS 209 CO -0.01 -0.13 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.53 2vvj s LEU 210 N 1.46 2.77 -0.03 5.43 2.96 0.36 0.21 118.68 131.84 2vvj s LEU 210 Ca 0.06 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2vvj s LEU 210 Cb -0.15 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2vvj s LEU 210 CO 0.04 0.21 0.09 -0.47 -1.32 0.00 0.00 176.35 174.89 2vvj s TYR 211 N -1.09 -0.09 0.02 5.38 5.04 0.23 -1.13 117.35 125.72 2vvj s TYR 211 Ca 0.18 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 2vvj s TYR 211 Cb -0.11 0.00 -0.02 0.00 0.35 0.00 0.00 41.96 42.19 2vvj s TYR 211 CO 0.09 -0.06 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.17 2vvj s GLU 212 N 0.23 0.53 -0.04 4.97 2.12 -0.58 -0.53 118.70 125.40 2vvj s GLU 212 Ca -0.02 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2vvj s GLU 212 Cb -0.03 -0.42 0.02 0.00 0.26 0.00 0.00 34.13 33.96 2vvj s GLU 212 CO -0.01 0.10 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.19 2vvj s HIS 213 N -0.77 0.71 -0.01 5.30 5.65 -0.38 -2.03 115.29 123.76 2vvj s HIS 213 Ca -0.03 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.09 2vvj s HIS 213 Cb -0.06 -0.63 0.01 0.00 -1.18 0.00 0.00 32.58 30.72 2vvj s HIS 213 CO 0.00 -0.17 0.00 0.00 -0.65 0.00 0.00 174.74 173.92 2vvj s ALA 214 N 0.85 0.14 -0.06 1.58 0.00 0.08 -1.47 121.76 122.88 2vvj s ALA 214 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2vvj s ALA 214 Cb -0.14 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2vvj s ALA 214 CO 0.00 -0.03 -0.02 0.08 0.00 0.00 0.00 175.76 175.79 2vvj s VAL 215 N 0.47 0.47 0.18 0.00 1.01 -0.73 -1.06 120.40 120.73 2vvj s VAL 215 Ca -0.04 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2vvj s VAL 215 Cb -0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 2vvj s VAL 215 CO -0.01 0.25 0.68 0.00 0.00 0.00 0.00 175.10 176.02 2vvj s ALA 216 N 1.54 3.48 0.29 5.51 0.00 -0.05 -0.73 121.76 131.79 2vvj s ALA 216 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 2vvj s ALA 216 Cb -0.13 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2vvj s ALA 216 CO -0.03 0.35 0.67 -3.38 0.00 0.00 0.00 175.76 173.37 2vvj s HIS 217 N -1.38 0.01 -2.70 0.00 -3.43 0.38 -4.41 115.29 103.75 2vvj s HIS 217 Ca 0.38 -0.47 0.25 0.00 -0.80 0.00 0.00 55.06 54.43 2vvj s HIS 217 Cb -0.18 0.58 0.48 0.00 -1.43 0.00 0.00 32.58 32.04 2vvj s HIS 217 CO 0.21 -1.22 1.42 0.43 -2.00 0.00 0.00 174.74 173.58 2vvj n SER 218 N -0.59 2.34 -0.20 7.38 7.64 -1.26 -0.95 113.62 127.98 2vvj n SER 218 Ca -0.04 -1.75 0.01 0.00 1.01 0.00 0.00 58.87 58.10 2vvj n SER 218 Cb 0.60 0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.30 -1.99 3.77 0.23 0.00 -1.26 -4.82 105.19 102.42 2vvj n GLY 219 Ca 0.15 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 3.91 0.00 0.99 1.43 -1.26 -0.72 118.68 123.03 2vvj s LEU 220 Ca 0.00 2.28 0.26 0.00 -1.03 0.00 0.00 54.13 55.63 2vvj s LEU 220 Cb 0.00 -4.36 1.42 0.00 0.03 0.00 0.00 46.19 43.28 2vvj s LEU 220 CO 0.00 -1.05 1.93 -0.81 0.23 0.00 0.00 176.35 176.65 2vvj n PRO 221 N -0.79 1.14 -0.69 1.29 -0.04 -1.26 -5.26 135.00 129.39 2vvj n PRO 221 Ca 0.09 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2vvj n PRO 221 Cb 0.49 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2vvj n PRO 221 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21