#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vg3 n PRO 14 N 0.00 1.21 -2.16 -1.08 -0.04 -1.26 -4.92 135.00 126.75 2vg3 n PRO 14 Ca 0.00 -0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 62.66 2vg3 n PRO 14 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2vg3 n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2vg3 s GLN 15 N -2.08 3.58 0.27 0.54 1.11 -1.26 -4.37 119.66 117.46 2vg3 s GLN 15 Ca 0.41 1.85 -0.29 0.00 0.01 0.00 0.00 55.36 57.34 2vg3 s GLN 15 Cb 0.21 -2.33 -0.09 0.00 -1.01 0.00 0.00 33.01 29.79 2vg3 s GLN 15 CO 0.37 -0.72 1.20 -0.51 0.01 0.00 0.00 175.29 175.65 2vg3 s LEU 16 N -3.21 4.48 0.98 2.90 1.43 -0.43 -5.01 118.68 119.83 2vg3 s LEU 16 Ca 0.66 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 2vg3 s LEU 16 Cb -0.31 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.45 2vg3 s LEU 16 CO 0.37 -0.34 1.00 -2.65 0.23 0.00 0.00 176.35 174.96 2vg3 n PRO 17 N 1.40 -0.91 -1.69 1.29 -0.02 -1.26 -4.75 135.00 129.06 2vg3 n PRO 17 Ca 0.01 -0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 60.84 2vg3 n PRO 17 Cb 0.44 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2vg3 n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2vg3 n PRO 18 N -4.06 2.06 -1.55 0.52 -0.02 -1.26 -4.94 135.00 125.75 2vg3 n PRO 18 Ca 0.09 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 2vg3 n PRO 18 Cb 0.53 -2.31 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2vg3 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 s ALA 19 N -0.88 2.40 0.52 3.55 0.00 -1.26 -4.98 121.76 121.11 2vg3 s ALA 19 Ca 0.58 0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 2vg3 s ALA 19 Cb -0.59 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 2vg3 s ALA 19 CO 0.59 -1.46 0.93 -2.30 0.00 0.00 0.00 175.76 173.52 2vg3 n PRO 20 N -2.90 1.05 -0.21 0.00 -0.02 -1.26 -4.86 135.00 126.79 2vg3 n PRO 20 Ca 0.10 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2vg3 n PRO 20 Cb 0.53 -2.06 0.41 0.00 -0.02 0.00 0.00 33.50 32.36 2vg3 n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2vg3 h ASP 21 N 0.91 0.57 -0.21 2.55 3.58 -2.01 0.05 116.42 121.86 2vg3 h ASP 21 Ca -0.46 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2vg3 h ASP 21 Cb 1.36 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2vg3 h ASP 21 CO 0.53 0.31 0.00 -0.90 -2.88 0.00 0.00 179.24 176.30 2vg3 n ASP 22 N -4.52 1.72 -4.77 2.28 5.68 -1.26 -4.92 116.55 110.76 2vg3 n ASP 22 Ca 0.15 -1.78 -0.41 0.00 -0.50 0.00 0.00 54.79 52.25 2vg3 n ASP 22 Cb 0.43 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 2vg3 n ASP 22 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2vg3 s TYR 23 N -1.73 2.92 0.46 2.11 5.04 0.00 -4.92 117.35 121.24 2vg3 s TYR 23 Ca 0.30 1.30 -0.21 0.00 -2.44 0.00 0.00 57.07 56.02 2vg3 s TYR 23 Cb 0.16 -3.79 -0.11 0.00 0.35 0.00 0.00 41.96 38.57 2vg3 s TYR 23 CO 0.24 -2.27 0.57 -2.30 -1.34 0.00 0.00 175.55 170.45 2vg3 n PRO 24 N 0.90 0.61 -4.19 4.97 -0.02 -1.26 -4.72 135.00 131.28 2vg3 n PRO 24 Ca 0.01 0.23 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 2vg3 n PRO 24 Cb 0.41 -1.59 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 2vg3 n PRO 24 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2vg3 s THR 25 N -1.53 2.62 -0.21 3.45 -4.23 -1.26 -1.50 115.64 112.98 2vg3 s THR 25 Ca 0.65 -1.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.10 2vg3 s THR 25 Cb -0.55 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.45 2vg3 s THR 25 CO 0.57 -0.12 0.83 0.12 -0.54 0.00 0.00 174.62 175.49 2vg3 s PHE 26 N -2.52 -0.62 0.08 3.99 5.36 -0.12 -4.73 117.98 119.42 2vg3 s PHE 26 Ca 0.38 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.63 2vg3 s PHE 26 Cb 0.01 0.35 -0.05 0.00 -0.34 0.00 0.00 43.02 42.99 2vg3 s PHE 26 CO 0.22 -0.39 0.36 -1.25 -1.46 0.00 0.00 175.22 172.70 2vg3 s PRO 27 N -0.24 3.67 -0.52 10.12 0.04 -1.26 -2.54 135.00 144.27 2vg3 s PRO 27 Ca -0.02 0.04 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 2vg3 s PRO 27 Cb -0.03 -2.98 0.10 0.00 0.04 0.00 0.00 34.50 31.63 2vg3 s PRO 27 CO 0.01 0.56 0.49 0.34 0.04 0.00 0.00 177.00 178.44 2vg3 s ASP 28 N -1.93 6.18 -0.07 6.66 2.15 -1.26 -4.82 116.67 123.57 2vg3 s ASP 28 Ca 0.34 -1.55 0.05 0.00 0.43 0.00 0.00 52.55 51.81 2vg3 s ASP 28 Cb -0.13 -2.21 0.25 0.00 -0.30 0.00 0.00 42.92 40.53 2vg3 s ASP 28 CO 0.19 -0.81 0.92 0.35 -0.17 0.00 0.00 175.17 175.66 2vg3 n THR 29 N 5.28 0.80 0.28 1.71 -2.24 -1.26 -3.97 114.28 114.88 2vg3 n THR 29 Ca -0.13 -0.42 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 2vg3 n THR 29 Cb 0.42 -0.37 0.47 0.00 -2.10 0.00 0.00 70.33 68.75 2vg3 n THR 29 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2vg3 h SER 30 N 1.25 0.00 -2.42 3.42 4.64 -1.97 -3.44 113.55 115.03 2vg3 h SER 30 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2vg3 h SER 30 Cb 0.89 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.84 2vg3 h SER 30 CO 0.14 0.00 -0.71 0.42 -0.87 0.00 0.00 176.83 175.81 2vg3 s THR 31 N -3.46 2.08 -0.02 2.95 -4.23 -1.25 -5.15 115.64 106.57 2vg3 s THR 31 Ca 0.04 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 2vg3 s THR 31 Cb 0.08 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2vg3 s THR 31 CO 0.58 -0.33 0.01 0.86 -0.54 0.00 0.00 174.62 175.21 2vg3 s TRP 32 N -2.73 0.09 0.86 3.99 -0.00 -1.26 -3.77 118.94 116.11 2vg3 s TRP 32 Ca 0.30 0.07 -0.13 0.00 -0.00 0.00 0.00 56.10 56.34 2vg3 s TRP 32 Cb 0.01 -0.21 0.06 0.00 -0.00 0.00 0.00 33.47 33.33 2vg3 s TRP 32 CO 0.14 -0.07 0.82 -2.30 -0.00 0.00 0.00 176.95 175.54 2vg3 n PRO 33 N 3.86 -0.09 -2.38 5.86 -0.02 -1.26 -5.08 135.00 135.88 2vg3 n PRO 33 Ca -0.23 0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 60.88 2vg3 n PRO 33 Cb 0.53 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2vg3 n PRO 33 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vg3 s VAL 34 N -2.29 3.30 0.19 -1.45 -7.23 -1.25 -4.98 120.40 106.70 2vg3 s VAL 34 Ca 0.65 1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 61.79 2vg3 s VAL 34 Cb -0.26 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 32.82 2vg3 s VAL 34 CO 0.59 0.27 1.01 -0.69 -0.31 0.00 0.00 175.10 175.97 2vg3 s VAL 35 N -1.22 4.08 -0.23 1.32 1.01 -1.26 -5.03 120.40 119.06 2vg3 s VAL 35 Ca 0.48 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 64.21 2vg3 s VAL 35 Cb -0.33 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2vg3 s VAL 35 CO 0.42 0.36 0.25 0.12 0.00 0.00 0.00 175.10 176.25 2vg3 s PHE 36 N -0.53 3.32 0.56 5.22 5.36 -1.26 -4.65 117.98 126.00 2vg3 s PHE 36 Ca 0.46 0.34 -0.19 0.00 -0.96 0.00 0.00 56.93 56.58 2vg3 s PHE 36 Cb -0.27 -2.37 -0.05 0.00 -0.34 0.00 0.00 43.02 39.99 2vg3 s PHE 36 CO 0.33 0.00 1.12 -1.25 -1.46 0.00 0.00 175.22 173.96 2vg3 s PRO 37 N 1.27 3.29 0.26 10.12 0.04 -1.26 -4.98 135.00 143.74 2vg3 s PRO 37 Ca 0.11 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2vg3 s PRO 37 Cb -0.14 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 2vg3 s PRO 37 CO 0.06 -0.89 1.37 -1.21 0.04 0.00 0.00 177.00 176.38 2vg3 s GLU 38 N -3.44 4.32 0.05 4.56 2.02 -1.26 -5.02 118.70 119.92 2vg3 s GLU 38 Ca 0.71 2.23 0.05 0.00 0.02 0.00 0.00 54.97 57.98 2vg3 s GLU 38 Cb -0.23 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2vg3 s GLU 38 CO 0.29 -0.32 -0.08 -0.51 0.02 0.00 0.00 175.26 174.67 2vg3 s LEU 39 N -0.75 3.13 1.01 1.80 1.43 -1.26 -4.92 118.68 119.12 2vg3 s LEU 39 Ca 0.56 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 2vg3 s LEU 39 Cb -0.40 -1.85 0.19 0.00 0.03 0.00 0.00 46.19 44.15 2vg3 s LEU 39 CO 0.45 0.23 1.03 -2.65 0.23 0.00 0.00 176.35 175.64 2vg3 n PRO 40 N 1.16 -1.14 -2.31 1.29 -0.02 -1.26 -4.92 135.00 127.81 2vg3 n PRO 40 Ca -0.14 -0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 60.65 2vg3 n PRO 40 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 2vg3 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 s ALA 41 N -2.54 3.47 0.08 3.55 0.00 -1.26 -4.86 121.76 120.20 2vg3 s ALA 41 Ca 0.67 1.03 -0.36 0.00 0.00 0.00 0.00 51.96 53.30 2vg3 s ALA 41 Cb -0.23 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.27 2vg3 s ALA 41 CO 0.61 -0.42 0.94 0.00 0.00 0.00 0.00 175.76 176.89 2vg3 n ALA 42 N 2.05 -3.01 -1.97 0.00 0.00 -1.26 -4.74 120.51 111.57 2vg3 n ALA 42 Ca 0.03 0.54 -0.29 0.00 0.00 0.00 0.00 53.44 53.72 2vg3 n ALA 42 Cb 0.44 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 2vg3 n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vg3 s PRO 43 N -0.31 2.45 0.00 0.00 0.04 -1.26 -3.80 135.00 132.12 2vg3 s PRO 43 Ca 0.81 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2vg3 s PRO 43 Cb -1.11 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 28.59 2vg3 s PRO 43 CO 0.56 -3.32 0.00 0.66 0.04 0.00 0.00 177.00 174.94 2vg3 n TYR 44 N 14.23 0.00 -3.65 0.56 4.01 -1.26 -4.16 117.16 126.90 2vg3 n TYR 44 Ca 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 58.08 2vg3 n TYR 44 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.47 2vg3 n TYR 44 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2vg3 s GLY 45 N 0.00 0.10 0.00 2.72 0.00 -1.25 -5.23 107.32 103.66 2vg3 s GLY 45 Ca 0.00 2.83 0.00 0.00 0.00 0.00 0.00 44.72 47.55 2vg3 s GLY 45 CO 0.00 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.78 2vg3 n GLY 46 N 0.45 0.55 3.73 0.20 0.00 -1.26 -4.76 105.19 104.11 2vg3 n GLY 46 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2vg3 n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vg3 n PRO 47 N 0.00 1.72 -2.36 1.61 -0.02 -1.26 -4.62 135.00 130.07 2vg3 n PRO 47 Ca 0.00 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 2vg3 n PRO 47 Cb 0.00 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 30.95 2vg3 n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 s ARG 49 N -2.69 4.31 0.73 0.00 3.52 -1.26 -4.60 118.95 118.96 2vg3 s ARG 49 Ca 0.62 2.08 -0.14 0.00 -0.13 0.00 0.00 55.73 58.17 2vg3 s ARG 49 Cb -0.26 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2vg3 s ARG 49 CO 0.31 -0.47 1.15 -1.25 -0.81 0.00 0.00 175.30 174.23 2vg3 s PRO 50 N 1.29 2.26 0.40 5.12 0.04 -1.26 -4.95 135.00 137.89 2vg3 s PRO 50 Ca 0.65 1.52 -0.27 0.00 0.04 0.00 0.00 61.00 62.94 2vg3 s PRO 50 Cb -0.37 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2vg3 s PRO 50 CO 0.30 -1.69 1.42 -1.25 0.04 0.00 0.00 177.00 175.82 2vg3 s PRO 51 N -4.19 3.99 0.88 0.56 0.04 -1.26 -5.00 135.00 130.02 2vg3 s PRO 51 Ca 0.69 2.43 -0.12 0.00 0.04 0.00 0.00 61.00 64.04 2vg3 s PRO 51 Cb -0.24 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.56 2vg3 s PRO 51 CO 0.47 -0.57 1.10 1.14 0.04 0.00 0.00 177.00 179.18 2vg3 s GLN 52 N -2.18 1.42 0.73 4.56 -2.07 -0.56 -4.66 119.66 116.89 2vg3 s GLN 52 Ca 0.55 0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 54.60 2vg3 s GLN 52 Cb -0.44 -1.84 0.04 0.00 -1.09 0.00 0.00 33.01 29.68 2vg3 s GLN 52 CO 0.58 -2.08 1.15 -1.58 -1.32 0.00 0.00 175.29 172.04 2vg3 s HIS 53 N -3.06 2.28 0.38 9.60 5.65 -1.26 -0.95 115.29 127.94 2vg3 s HIS 53 Ca 0.63 1.60 0.13 0.00 0.25 0.00 0.00 55.06 57.67 2vg3 s HIS 53 Cb -0.16 -3.30 0.95 0.00 -1.18 0.00 0.00 32.58 28.89 2vg3 s HIS 53 CO 0.56 -2.19 1.85 1.15 -0.65 0.00 0.00 174.74 175.46 2vg3 h THR 54 N -0.42 0.73 0.00 0.89 2.02 -1.81 0.17 112.91 114.48 2vg3 h THR 54 Ca -0.46 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2vg3 h THR 54 Cb 1.27 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2vg3 h THR 54 CO 0.51 0.10 0.00 0.77 0.37 0.00 0.00 175.52 177.27 2vg3 h SER 55 N 0.55 0.00 -0.92 4.18 4.64 -1.91 -3.47 113.55 116.62 2vg3 h SER 55 Ca 0.48 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.51 2vg3 h SER 55 Cb 0.98 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.98 2vg3 h SER 55 CO -0.21 0.00 -0.28 0.29 -0.87 0.00 0.00 176.83 175.76 2vg3 n LYS 56 N -2.48 -0.99 -2.16 4.77 5.02 0.58 -4.99 118.16 117.91 2vg3 n LYS 56 Ca 0.02 0.93 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 2vg3 n LYS 56 Cb 0.29 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 2vg3 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vg3 s ALA 57 N -2.55 2.94 0.06 7.82 0.00 -1.26 -4.95 121.76 123.82 2vg3 s ALA 57 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.01 2vg3 s ALA 57 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2vg3 s ALA 57 CO 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 175.76 175.01 2vg3 s ALA 58 N -1.49 3.50 0.37 0.00 0.00 -1.26 -4.58 121.76 118.30 2vg3 s ALA 58 Ca 0.65 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.33 2vg3 s ALA 58 Cb -0.31 -1.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 2vg3 s ALA 58 CO 0.37 0.72 1.41 0.00 0.00 0.00 0.00 175.76 178.27 2vg3 s ALA 59 N -1.32 3.49 0.53 0.00 0.00 -1.26 -4.96 121.76 118.24 2vg3 s ALA 59 Ca 0.27 1.45 -0.21 0.00 0.00 0.00 0.00 51.96 53.46 2vg3 s ALA 59 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2vg3 s ALA 59 CO 0.19 -0.94 1.23 -1.25 0.00 0.00 0.00 175.76 175.00 2vg3 s PRO 60 N -2.07 3.33 -0.50 0.00 0.04 -1.26 -4.95 135.00 129.60 2vg3 s PRO 60 Ca 0.53 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 2vg3 s PRO 60 Cb -0.44 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2vg3 s PRO 60 CO 0.58 -0.94 1.27 1.03 0.04 0.00 0.00 177.00 178.99 2vg3 s ARG 61 N -2.97 3.57 -0.08 4.56 0.52 -1.26 -4.92 118.95 118.36 2vg3 s ARG 61 Ca 0.70 0.58 0.01 0.00 -0.52 0.00 0.00 55.73 56.50 2vg3 s ARG 61 Cb -0.32 -4.00 0.02 0.00 0.52 0.00 0.00 34.95 31.17 2vg3 s ARG 61 CO 0.38 -1.59 -0.09 0.42 0.02 0.00 0.00 175.30 174.44 2vg3 s ILE 62 N 5.11 0.97 0.45 1.52 1.01 -1.26 -5.13 121.20 123.86 2vg3 s ILE 62 Ca 0.51 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.61 2vg3 s ILE 62 Cb -0.10 -0.95 -0.10 0.00 0.01 0.00 0.00 42.46 41.33 2vg3 s ILE 62 CO 0.30 0.34 0.97 -2.65 0.00 0.00 0.00 174.94 173.89 2vg3 n PRO 63 N 4.39 1.24 -0.34 2.79 -0.02 -1.26 -4.43 135.00 137.36 2vg3 n PRO 63 Ca -0.18 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.76 2vg3 n PRO 63 Cb 0.51 -2.02 0.17 0.00 -0.02 0.00 0.00 33.50 32.14 2vg3 n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vg3 h ALA 64 N 1.35 1.39 0.00 3.55 0.00 -1.96 -1.51 119.26 122.08 2vg3 h ALA 64 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2vg3 h ALA 64 Cb 1.35 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2vg3 h ALA 64 CO 0.56 0.51 0.00 -0.40 0.00 0.00 0.00 179.25 179.92 2vg3 n ASP 65 N -4.44 0.41 -0.01 0.00 5.75 -1.26 -3.09 116.55 113.91 2vg3 n ASP 65 Ca 0.13 0.60 0.10 0.00 -0.01 0.00 0.00 54.79 55.61 2vg3 n ASP 65 Cb 0.10 -0.69 -0.15 0.00 -1.03 0.00 0.00 41.12 39.35 2vg3 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2vg3 n ARG 66 N -1.95 0.60 -1.89 0.11 5.12 -0.61 -4.99 116.66 113.05 2vg3 n ARG 66 Ca 0.03 -0.16 -0.36 0.00 -1.93 0.00 0.00 57.85 55.42 2vg3 n ARG 66 Cb 0.21 -1.47 0.05 0.00 -1.16 0.00 0.00 32.46 30.09 2vg3 n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2vg3 s LEU 67 N -4.25 3.63 0.09 0.55 1.43 -0.93 -4.34 118.68 114.87 2vg3 s LEU 67 Ca -0.06 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.24 2vg3 s LEU 67 Cb 0.13 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 2vg3 s LEU 67 CO 0.83 -1.77 1.54 -2.16 0.23 0.00 0.00 176.35 175.02 2vg3 s PRO 68 N -3.33 4.24 0.26 1.29 0.04 -1.26 -4.90 135.00 131.34 2vg3 s PRO 68 Ca 0.80 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 64.03 2vg3 s PRO 68 Cb -0.34 -3.42 0.33 0.00 0.04 0.00 0.00 34.50 31.11 2vg3 s PRO 68 CO 0.36 -0.62 1.81 -0.97 0.04 0.00 0.00 177.00 177.63 2vg3 h ASN 69 N 7.60 0.88 -3.26 6.66 -1.24 -1.93 -3.42 115.58 120.87 2vg3 h ASN 69 Ca -0.42 -0.15 -0.48 0.00 0.71 0.00 0.00 56.30 55.96 2vg3 h ASN 69 Cb 1.20 -0.23 -0.38 0.00 0.73 0.00 0.00 38.32 39.64 2vg3 h ASN 69 CO 0.91 0.82 -0.77 -2.28 -1.29 0.00 0.00 177.43 174.82 2vg3 s HIS 70 N -5.33 1.00 -0.18 0.67 2.46 -1.26 -1.79 115.29 110.86 2vg3 s HIS 70 Ca -0.11 -0.54 -0.07 0.00 0.47 0.00 0.00 55.06 54.82 2vg3 s HIS 70 Cb 0.16 -0.98 -0.04 0.00 -0.13 0.00 0.00 32.58 31.59 2vg3 s HIS 70 CO 0.81 -0.47 0.04 0.08 -2.47 0.00 0.00 174.74 172.74 2vg3 s VAL 71 N 1.87 4.57 -0.12 0.89 1.01 -0.25 -1.47 120.40 126.90 2vg3 s VAL 71 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2vg3 s VAL 71 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2vg3 s VAL 71 CO -0.07 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.44 2vg3 s ALA 72 N 0.50 3.03 -0.14 5.51 0.00 -0.14 -1.07 121.76 129.45 2vg3 s ALA 72 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2vg3 s ALA 72 Cb -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.56 2vg3 s ALA 72 CO 0.01 0.37 -0.14 0.42 0.00 0.00 0.00 175.76 176.41 2vg3 s ILE 73 N -0.13 1.54 -0.59 0.00 1.01 0.17 -0.33 121.20 122.87 2vg3 s ILE 73 Ca 0.02 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 2vg3 s ILE 73 Cb -0.13 -1.43 0.08 0.00 0.01 0.00 0.00 42.46 40.99 2vg3 s ILE 73 CO 0.03 0.45 0.76 -0.69 0.00 0.00 0.00 174.94 175.48 2vg3 s VAL 74 N 1.34 4.70 -0.03 2.92 1.01 -0.23 -2.11 120.40 127.99 2vg3 s VAL 74 Ca 0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2vg3 s VAL 74 Cb -0.13 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2vg3 s VAL 74 CO -0.08 -1.14 1.18 -0.04 0.00 0.00 0.00 175.10 175.03 2vg3 s MET 75 N 3.04 4.38 -0.02 2.72 1.00 -1.26 -2.87 119.30 126.28 2vg3 s MET 75 Ca 0.15 1.67 -0.19 0.00 0.00 0.00 0.00 55.69 57.33 2vg3 s MET 75 Cb -0.21 -3.51 0.03 0.00 0.00 0.00 0.00 34.83 31.14 2vg3 s MET 75 CO 0.09 -0.39 0.40 0.34 0.00 0.00 0.00 175.02 175.46 2vg3 s ASP 76 N 1.37 -0.30 0.00 3.03 2.15 -1.26 -4.95 116.67 116.70 2vg3 s ASP 76 Ca 0.56 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.78 2vg3 s ASP 76 Cb -0.25 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2vg3 s ASP 76 CO 0.24 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2vg3 n GLY 77 N 1.21 0.94 0.17 2.66 0.00 -1.26 -1.32 105.19 107.59 2vg3 n GLY 77 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2vg3 n GLY 77 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vg3 h ASN 78 N 0.00 0.22 -0.27 1.61 2.35 -1.92 -1.00 115.58 116.57 2vg3 h ASN 78 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2vg3 h ASN 78 Cb 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2vg3 h ASN 78 CO 0.00 0.17 0.14 1.23 -1.65 0.00 0.00 177.43 177.32 2vg3 h GLY 79 N 0.36 0.41 1.03 2.83 0.00 -1.91 -2.14 103.07 103.65 2vg3 h GLY 79 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2vg3 h GLY 79 CO -0.16 0.18 0.37 3.21 0.00 0.00 0.00 176.54 180.15 2vg3 h ARG 80 N 0.32 1.13 -0.39 4.80 3.08 -1.92 -1.28 114.38 120.12 2vg3 h ARG 80 Ca 0.10 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.03 2vg3 h ARG 80 Cb 0.08 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 2vg3 h ARG 80 CO -0.01 0.88 0.10 2.35 -1.07 0.00 0.00 179.97 182.22 2vg3 h TRP 81 N 1.11 0.17 -0.63 3.04 7.01 -1.07 -0.89 115.95 124.69 2vg3 h TRP 81 Ca 0.27 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.20 2vg3 h TRP 81 Cb 0.13 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 2vg3 h TRP 81 CO 0.01 0.05 0.03 0.00 -2.79 0.00 0.00 178.44 175.74 2vg3 h ALA 82 N 1.28 0.84 -0.28 2.65 0.00 -1.11 -3.04 119.26 119.60 2vg3 h ALA 82 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2vg3 h ALA 82 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vg3 h ALA 82 CO -0.22 0.67 -0.08 1.15 0.00 0.00 0.00 179.25 180.76 2vg3 h THR 83 N 1.00 1.21 0.00 0.00 2.02 -0.91 0.11 112.91 116.33 2vg3 h THR 83 Ca 0.18 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2vg3 h THR 83 Cb 0.53 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2vg3 h THR 83 CO 0.03 0.29 -0.02 1.56 0.37 0.00 0.00 175.52 177.75 2vg3 h GLN 84 N 0.43 0.00 -0.36 6.66 4.20 -1.05 -2.65 115.11 122.34 2vg3 h GLN 84 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2vg3 h GLN 84 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2vg3 h GLN 84 CO 0.02 0.02 0.00 0.54 -0.67 0.00 0.00 178.83 178.74 2vg3 n ARG 85 N -4.20 2.96 -2.85 1.46 1.74 -0.90 -4.97 116.66 109.90 2vg3 n ARG 85 Ca -0.03 -2.36 -0.17 0.00 -0.77 0.00 0.00 57.85 54.52 2vg3 n ARG 85 Cb 0.10 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2vg3 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vg3 n GLY 86 N 0.33 -0.23 3.68 -0.13 0.00 -0.93 -5.02 105.19 102.89 2vg3 n GLY 86 Ca 0.16 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2vg3 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vg3 s LEU 87 N -5.21 3.06 0.40 0.99 1.43 0.32 -5.01 118.68 114.66 2vg3 s LEU 87 Ca 0.24 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 2vg3 s LEU 87 Cb -0.11 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 2vg3 s LEU 87 CO 0.30 -0.35 1.09 0.00 0.23 0.00 0.00 176.35 177.62 2vg3 s ALA 88 N -2.54 3.11 0.37 4.21 0.00 -1.26 -4.11 121.76 121.54 2vg3 s ALA 88 Ca 0.37 0.81 0.11 0.00 0.00 0.00 0.00 51.96 53.25 2vg3 s ALA 88 Cb 0.01 -3.31 0.88 0.00 0.00 0.00 0.00 23.12 20.70 2vg3 s ALA 88 CO 0.21 -0.34 1.85 0.00 0.00 0.00 0.00 175.76 177.48 2vg3 h ARG 89 N 2.59 0.60 0.00 0.00 3.08 -1.92 0.63 114.38 119.36 2vg3 h ARG 89 Ca -0.48 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 2vg3 h ARG 89 Cb 1.22 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 2vg3 h ARG 89 CO 0.62 0.40 -0.05 1.79 -1.07 0.00 0.00 179.97 181.66 2vg3 h THR 90 N 0.62 0.19 -0.65 2.04 1.35 -1.94 -0.12 112.91 114.39 2vg3 h THR 90 Ca 0.47 -0.47 -0.06 0.00 -0.55 0.00 0.00 66.41 65.81 2vg3 h THR 90 Cb 0.88 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 2vg3 h THR 90 CO -0.22 0.05 0.17 -0.33 -0.25 0.00 0.00 175.52 174.94 2vg3 h GLU 91 N 0.00 1.01 -0.68 4.72 4.39 -1.24 -1.41 114.58 121.37 2vg3 h GLU 91 Ca -0.00 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2vg3 h GLU 91 Cb 0.38 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2vg3 h GLU 91 CO 0.01 0.89 0.37 0.78 -1.16 0.00 0.00 179.01 179.90 2vg3 h GLY 92 N 1.05 1.01 1.01 -3.84 0.00 -1.08 -2.58 103.07 98.65 2vg3 h GLY 92 Ca 0.21 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2vg3 h GLY 92 CO -0.00 0.44 0.34 0.45 0.00 0.00 0.00 176.54 177.77 2vg3 h HIS 93 N 0.93 1.02 -0.75 5.60 3.86 -1.26 -2.45 115.15 122.11 2vg3 h HIS 93 Ca 0.24 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.49 2vg3 h HIS 93 Cb 0.04 -0.32 -0.07 0.00 1.06 0.00 0.00 27.41 28.12 2vg3 h HIS 93 CO -0.01 0.76 0.39 0.87 0.86 0.00 0.00 177.93 180.81 2vg3 h LYS 94 N 0.99 0.64 0.00 2.45 1.57 -1.08 -2.37 116.57 118.77 2vg3 h LYS 94 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2vg3 h LYS 94 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2vg3 h LYS 94 CO -0.03 0.42 -0.26 0.52 -0.57 0.00 0.00 179.45 179.54 2vg3 h MET 95 N 0.66 0.00 0.00 3.15 2.86 -1.10 -2.99 114.93 117.51 2vg3 h MET 95 Ca 0.37 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.00 2vg3 h MET 95 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2vg3 h MET 95 CO -0.26 0.26 -0.04 0.78 1.06 0.00 0.00 176.91 178.71 2vg3 h GLY 96 N 1.93 0.00 0.89 8.32 0.00 -0.97 -3.28 103.07 109.97 2vg3 h GLY 96 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2vg3 h GLY 96 CO 0.03 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.37 2vg3 h GLU 97 N 0.00 -0.29 -0.87 4.80 4.81 -1.57 -1.48 114.58 119.98 2vg3 h GLU 97 Ca -0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2vg3 h GLU 97 Cb 0.23 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2vg3 h GLU 97 CO 0.00 -0.11 0.57 0.00 -0.73 0.00 0.00 179.01 178.74 2vg3 h ALA 98 N 0.33 1.58 -0.56 2.92 0.00 -1.77 -1.95 119.26 119.80 2vg3 h ALA 98 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2vg3 h ALA 98 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2vg3 h ALA 98 CO 0.05 0.27 0.25 0.28 0.00 0.00 0.00 179.25 180.10 2vg3 h VAL 99 N 0.94 1.21 -0.64 0.00 2.07 -1.59 0.27 116.25 118.51 2vg3 h VAL 99 Ca 0.38 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 67.36 2vg3 h VAL 99 Cb 0.27 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2vg3 h VAL 99 CO -0.15 0.25 0.26 0.58 0.02 0.00 0.00 177.57 178.53 2vg3 h VAL 100 N 0.76 0.78 0.02 2.57 2.07 -0.52 -0.37 116.25 121.55 2vg3 h VAL 100 Ca 0.19 -0.15 -0.24 0.00 0.82 0.00 0.00 66.70 67.31 2vg3 h VAL 100 Cb 0.16 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2vg3 h VAL 100 CO -0.02 0.08 -1.01 0.40 0.02 0.00 0.00 177.57 177.04 2vg3 h ILE 101 N 0.45 1.38 -0.73 4.57 1.08 -0.93 -1.09 117.51 122.24 2vg3 h ILE 101 Ca 0.32 -2.46 0.03 0.00 -0.39 0.00 0.00 64.86 62.36 2vg3 h ILE 101 Cb 0.40 2.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 2vg3 h ILE 101 CO -0.31 0.74 0.46 -0.78 -0.69 0.00 0.00 178.15 177.57 2vg3 h ASP 102 N 0.25 0.76 -0.09 1.72 3.58 -0.23 -0.63 116.42 121.79 2vg3 h ASP 102 Ca -0.10 -0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.18 2vg3 h ASP 102 Cb 1.66 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.54 2vg3 h ASP 102 CO 0.18 0.52 -0.53 0.40 -2.88 0.00 0.00 179.24 176.93 2vg3 h ILE 103 N 0.90 1.30 -0.74 2.25 5.03 -0.90 -0.06 117.51 125.29 2vg3 h ILE 103 Ca 0.29 -1.75 0.02 0.00 -0.12 0.00 0.00 64.86 63.30 2vg3 h ILE 103 Cb 0.01 1.70 -0.04 0.00 -3.03 0.00 0.00 36.82 35.46 2vg3 h ILE 103 CO -0.11 0.56 0.48 0.00 -0.68 0.00 0.00 178.15 178.39 2vg3 h ALA 104 N 0.89 0.97 -0.43 1.87 0.00 -0.91 0.54 119.26 122.19 2vg3 h ALA 104 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2vg3 h ALA 104 Cb 1.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2vg3 h ALA 104 CO 0.11 0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.80 2vg3 h GLY 106 N 0.55 0.65 0.99 0.00 0.00 -0.81 -1.67 103.07 102.78 2vg3 h GLY 106 Ca 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2vg3 h GLY 106 CO -0.01 0.49 0.31 0.00 0.00 0.00 0.00 176.54 177.33 2vg3 h ALA 107 N 1.21 0.74 -0.29 3.60 0.00 -0.80 -1.05 119.26 122.67 2vg3 h ALA 107 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2vg3 h ALA 107 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2vg3 h ALA 107 CO 0.05 0.26 0.11 0.82 0.00 0.00 0.00 179.25 180.50 2vg3 h ILE 108 N 0.78 1.18 -0.41 0.00 2.04 -1.19 -1.06 117.51 118.84 2vg3 h ILE 108 Ca 0.20 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2vg3 h ILE 108 Cb 0.06 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2vg3 h ILE 108 CO -0.03 0.19 0.28 -0.33 0.00 0.00 0.00 178.15 178.25 2vg3 h GLU 109 N 0.32 0.42 0.00 2.37 5.08 -1.12 -2.69 114.58 118.96 2vg3 h GLU 109 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2vg3 h GLU 109 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2vg3 h GLU 109 CO -0.01 0.28 -0.58 1.25 -1.00 0.00 0.00 179.01 178.95 2vg3 h LEU 110 N 0.43 0.00 0.00 1.33 5.85 -1.04 -1.14 115.31 120.74 2vg3 h LEU 110 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2vg3 h LEU 110 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2vg3 h LEU 110 CO -0.04 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 2vg3 n GLY 111 N 1.23 0.94 3.74 3.75 0.00 -0.71 -4.20 105.19 109.95 2vg3 n GLY 111 Ca 0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2vg3 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vg3 s ILE 112 N -2.00 2.93 -0.13 -0.61 -1.09 -0.49 -4.96 121.20 114.86 2vg3 s ILE 112 Ca 0.00 0.77 0.19 0.00 -2.23 0.00 0.00 60.65 59.38 2vg3 s ILE 112 Cb 0.00 -3.49 -0.25 0.00 -1.58 0.00 0.00 42.46 37.14 2vg3 s ILE 112 CO 0.00 0.12 0.39 0.29 -1.23 0.00 0.00 174.94 174.50 2vg3 n LYS 113 N 2.52 0.66 -4.05 2.79 4.76 -1.22 -4.66 118.16 118.96 2vg3 n LYS 113 Ca 0.07 -0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.29 2vg3 n LYS 113 Cb 0.41 -1.59 -0.16 0.00 -1.84 0.00 0.00 35.03 31.85 2vg3 n LYS 113 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2vg3 s TRP 114 N -2.94 0.64 -0.07 2.13 0.52 -0.74 -0.87 118.94 117.61 2vg3 s TRP 114 Ca -0.08 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 55.89 2vg3 s TRP 114 Cb 0.09 -0.63 0.02 0.00 -1.15 0.00 0.00 33.47 31.80 2vg3 s TRP 114 CO 0.85 -0.20 -0.04 -1.17 0.02 0.00 0.00 176.95 176.41 2vg3 s LEU 115 N 1.11 1.11 -0.14 2.99 2.96 -0.21 -1.09 118.68 125.41 2vg3 s LEU 115 Ca -0.08 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2vg3 s LEU 115 Cb -0.14 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 2vg3 s LEU 115 CO -0.01 -0.10 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.36 2vg3 s SER 116 N 1.36 4.09 -0.07 3.68 0.01 -0.23 -0.67 113.70 121.86 2vg3 s SER 116 Ca -0.04 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2vg3 s SER 116 Cb -0.13 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2vg3 s SER 116 CO -0.03 0.15 -0.20 -0.76 0.41 0.00 0.00 173.24 172.81 2vg3 s LEU 117 N 0.46 1.94 -0.94 2.44 1.43 -0.34 -0.65 118.68 123.02 2vg3 s LEU 117 Ca -0.09 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2vg3 s LEU 117 Cb -0.16 -1.17 0.15 0.00 0.03 0.00 0.00 46.19 45.04 2vg3 s LEU 117 CO 0.04 0.14 1.11 -0.47 0.23 0.00 0.00 176.35 177.40 2vg3 s TYR 118 N 0.30 3.24 0.09 0.29 6.04 -0.90 -1.55 117.35 124.86 2vg3 s TYR 118 Ca -0.13 -1.54 0.07 0.00 0.04 0.00 0.00 57.07 55.50 2vg3 s TYR 118 Cb -0.16 -4.23 -0.22 0.00 -1.04 0.00 0.00 41.96 36.32 2vg3 s TYR 118 CO 0.06 -1.42 1.18 0.00 -1.54 0.00 0.00 175.55 173.83 2vg3 h ALA 119 N 8.54 0.38 -1.56 3.97 0.00 -0.76 -3.40 119.26 126.43 2vg3 h ALA 119 Ca 0.17 -0.98 0.11 0.00 0.00 0.00 0.00 54.91 54.20 2vg3 h ALA 119 Cb 1.01 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.49 2vg3 h ALA 119 CO 1.08 1.27 0.31 0.12 0.00 0.00 0.00 179.25 182.02 2vg3 s PHE 120 N -2.69 -0.67 0.22 0.00 5.36 -1.03 -4.97 117.98 114.21 2vg3 s PHE 120 Ca -0.00 1.31 0.05 0.00 -0.96 0.00 0.00 56.93 57.32 2vg3 s PHE 120 Cb 0.09 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 43.14 2vg3 s PHE 120 CO 0.83 -0.33 0.30 -1.54 -1.46 0.00 0.00 175.22 173.02 2vg3 s SER 121 N 1.52 6.13 0.12 6.13 1.04 -1.26 -0.20 113.70 127.19 2vg3 s SER 121 Ca -0.09 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.46 2vg3 s SER 121 Cb -0.04 -1.76 0.50 0.00 0.10 0.00 0.00 66.02 64.81 2vg3 s SER 121 CO -0.16 -0.04 1.30 0.35 0.98 0.00 0.00 173.24 175.68 2vg3 n THR 122 N -1.16 1.53 0.95 2.02 -2.24 -0.39 -1.34 114.28 113.65 2vg3 n THR 122 Ca -0.08 0.54 0.10 0.00 -2.27 0.00 0.00 64.05 62.33 2vg3 n THR 122 Cb 0.56 -1.52 -0.11 0.00 -2.10 0.00 0.00 70.33 67.16 2vg3 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2vg3 n GLU 123 N -1.79 0.34 0.00 -0.78 4.71 -1.26 -4.37 120.64 117.48 2vg3 n GLU 123 Ca -0.00 -0.01 0.08 0.00 -0.01 0.00 0.00 57.16 57.22 2vg3 n GLU 123 Cb 0.04 -1.45 0.38 0.00 -1.01 0.00 0.00 31.44 29.40 2vg3 n GLU 123 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2vg3 n ASN 124 N -1.46 0.00 0.16 1.62 5.03 -0.45 -2.44 115.26 117.72 2vg3 n ASN 124 Ca 0.04 0.36 0.12 0.00 0.87 0.00 0.00 54.58 55.97 2vg3 n ASN 124 Cb 0.32 -0.43 0.58 0.00 -1.02 0.00 0.00 39.78 39.22 2vg3 n ASN 124 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2vg3 h TRP 125 N 0.00 0.00 0.00 3.10 4.06 -1.76 -1.47 115.95 119.88 2vg3 h TRP 125 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2vg3 h TRP 125 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2vg3 h TRP 125 CO 0.00 0.00 0.00 0.87 -3.56 0.00 0.00 178.44 175.75 2vg3 h LYS 126 N 0.00 0.00 -7.45 0.49 1.57 -1.82 -3.45 116.57 105.91 2vg3 h LYS 126 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2vg3 h LYS 126 Cb 0.16 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.61 2vg3 h LYS 126 CO 0.00 0.00 0.26 1.03 -0.57 0.00 0.00 179.45 180.17 2vg3 s ARG 127 N -3.44 0.83 0.58 3.15 0.52 -0.55 -4.98 118.95 115.06 2vg3 s ARG 127 Ca 0.03 0.35 -0.20 0.00 -0.52 0.00 0.00 55.73 55.39 2vg3 s ARG 127 Cb 0.09 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.73 2vg3 s ARG 127 CO 0.41 -2.42 1.31 -1.54 0.02 0.00 0.00 175.30 173.08 2vg3 s SER 128 N -3.83 5.05 0.30 0.23 1.04 -1.26 -4.76 113.70 110.47 2vg3 s SER 128 Ca 0.64 2.65 0.05 0.00 0.48 0.00 0.00 55.95 59.77 2vg3 s SER 128 Cb -0.16 -2.62 0.71 0.00 0.10 0.00 0.00 66.02 64.05 2vg3 s SER 128 CO 0.55 -1.70 1.77 -0.65 0.98 0.00 0.00 173.24 174.18 2vg3 h PRO 129 N 1.08 0.70 -0.20 4.02 0.11 -1.93 -0.18 132.00 135.60 2vg3 h PRO 129 Ca -0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2vg3 h PRO 129 Cb 1.31 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2vg3 h PRO 129 CO 0.56 0.47 0.11 0.93 -0.21 0.00 0.00 178.00 179.85 2vg3 h GLU 130 N 0.72 0.28 -0.52 1.05 3.07 -1.99 -0.54 114.58 116.65 2vg3 h GLU 130 Ca 0.57 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.27 2vg3 h GLU 130 Cb 0.88 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 2vg3 h GLU 130 CO -0.39 0.26 -0.14 1.49 -1.40 0.00 0.00 179.01 178.83 2vg3 h GLU 131 N 0.22 1.01 -0.11 2.33 4.81 -1.72 -1.74 114.58 119.38 2vg3 h GLU 131 Ca 0.07 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2vg3 h GLU 131 Cb 0.06 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2vg3 h GLU 131 CO -0.01 1.07 0.01 0.28 -0.73 0.00 0.00 179.01 179.63 2vg3 h VAL 132 N 0.89 1.24 -0.67 0.32 2.07 -0.90 0.83 116.25 120.04 2vg3 h VAL 132 Ca 0.13 -0.77 0.11 0.00 0.82 0.00 0.00 66.70 66.99 2vg3 h VAL 132 Cb 0.71 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 2vg3 h VAL 132 CO 0.05 0.22 0.26 -0.09 0.02 0.00 0.00 177.57 178.04 2vg3 h ARG 133 N -0.06 0.43 -0.20 1.57 2.43 -1.11 -0.33 114.38 117.12 2vg3 h ARG 133 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2vg3 h ARG 133 Cb 0.34 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2vg3 h ARG 133 CO 0.00 0.28 0.09 0.35 -1.51 0.00 0.00 179.97 179.19 2vg3 h PHE 134 N 0.44 0.29 -0.49 2.20 3.57 -1.01 -1.77 116.94 120.18 2vg3 h PHE 134 Ca 0.35 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 2vg3 h PHE 134 Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2vg3 h PHE 134 CO -0.16 0.30 0.13 -0.07 -2.23 0.00 0.00 178.31 176.28 2vg3 h LEU 135 N 0.19 0.68 -0.10 0.59 3.38 -0.26 0.22 115.31 120.00 2vg3 h LEU 135 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2vg3 h LEU 135 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2vg3 h LEU 135 CO -0.01 0.66 0.02 0.24 0.09 0.00 0.00 178.44 179.44 2vg3 h MET 136 N 0.71 0.16 -0.34 1.13 2.86 -0.91 -1.44 114.93 117.12 2vg3 h MET 136 Ca 0.16 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2vg3 h MET 136 Cb 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2vg3 h MET 136 CO -0.00 0.37 -0.20 0.78 1.06 0.00 0.00 176.91 178.91 2vg3 h GLY 137 N -0.07 0.69 1.00 8.32 0.00 -1.04 -2.31 103.07 109.66 2vg3 h GLY 137 Ca 0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 2vg3 h GLY 137 CO 0.00 0.51 -0.31 -2.75 0.00 0.00 0.00 176.54 173.99 2vg3 h PHE 138 N 0.56 0.90 -0.57 5.60 3.57 -0.56 -0.82 116.94 125.62 2vg3 h PHE 138 Ca 0.09 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 2vg3 h PHE 138 Cb 0.66 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2vg3 h PHE 138 CO 0.03 1.03 0.27 -0.91 -2.23 0.00 0.00 178.31 176.50 2vg3 h ASN 139 N 0.50 0.76 -0.33 0.41 2.35 -1.17 0.75 115.58 118.85 2vg3 h ASN 139 Ca 0.05 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2vg3 h ASN 139 Cb 0.88 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 2vg3 h ASN 139 CO 0.08 0.69 0.07 -0.09 -1.65 0.00 0.00 177.43 176.52 2vg3 h ARG 140 N 0.78 0.18 -0.25 0.81 2.43 -1.38 -2.53 114.38 114.42 2vg3 h ARG 140 Ca 0.20 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2vg3 h ARG 140 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2vg3 h ARG 140 CO -0.02 0.12 0.07 -0.44 -1.51 0.00 0.00 179.97 178.19 2vg3 h ASP 141 N 0.19 0.38 -0.75 -3.80 5.19 -0.79 -2.84 116.42 114.00 2vg3 h ASP 141 Ca 0.16 -0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.43 2vg3 h ASP 141 Cb 0.17 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.51 2vg3 h ASP 141 CO -0.20 0.50 0.41 0.58 -3.12 0.00 0.00 179.24 177.41 2vg3 h VAL 142 N 0.24 0.91 -0.10 -1.35 2.07 -0.79 0.63 116.25 117.86 2vg3 h VAL 142 Ca 0.08 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2vg3 h VAL 142 Cb 0.26 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2vg3 h VAL 142 CO -0.00 0.13 0.03 0.58 0.02 0.00 0.00 177.57 178.33 2vg3 h VAL 143 N 0.71 1.17 -0.48 2.57 2.07 -1.38 0.04 116.25 120.96 2vg3 h VAL 143 Ca 0.35 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2vg3 h VAL 143 Cb 0.31 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2vg3 h VAL 143 CO -0.23 0.15 0.27 -0.09 0.02 0.00 0.00 177.57 177.68 2vg3 h ARG 144 N -0.02 0.68 0.00 1.57 2.43 -1.29 -1.56 114.38 116.18 2vg3 h ARG 144 Ca 0.03 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2vg3 h ARG 144 Cb 0.21 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2vg3 h ARG 144 CO -0.00 0.53 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.75 2vg3 h ARG 145 N 0.64 0.00 0.00 0.20 2.43 -0.65 -3.32 114.38 113.68 2vg3 h ARG 145 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2vg3 h ARG 145 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2vg3 h ARG 145 CO -0.03 0.15 -0.50 0.54 -1.51 0.00 0.00 179.97 178.62 2vg3 n ARG 146 N -4.23 3.90 0.15 0.20 5.12 -0.02 -4.70 116.66 117.09 2vg3 n ARG 146 Ca -0.02 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2vg3 n ARG 146 Cb 0.22 -0.91 0.27 0.00 -1.16 0.00 0.00 32.46 30.88 2vg3 n ARG 146 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2vg3 h ARG 147 N 0.00 0.05 -0.28 5.56 0.11 -1.39 -1.15 114.38 117.27 2vg3 h ARG 147 Ca 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 2vg3 h ARG 147 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2vg3 h ARG 147 CO 0.00 0.51 0.11 -0.44 0.10 0.00 0.00 179.97 180.25 2vg3 h ASP 148 N 0.04 0.39 -0.12 0.08 3.32 -1.84 -0.10 116.42 118.19 2vg3 h ASP 148 Ca -0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2vg3 h ASP 148 Cb 0.84 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2vg3 h ASP 148 CO 0.06 0.45 0.07 0.74 -1.72 0.00 0.00 179.24 178.85 2vg3 h THR 149 N 0.31 1.07 -0.95 0.35 2.02 -1.81 -2.11 112.91 111.79 2vg3 h THR 149 Ca 0.09 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.13 2vg3 h THR 149 Cb 0.18 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2vg3 h THR 149 CO -0.01 0.07 0.62 -0.07 0.37 0.00 0.00 175.52 176.50 2vg3 h LEU 150 N 0.12 0.99 -0.16 2.58 3.38 -1.07 -1.60 115.31 119.54 2vg3 h LEU 150 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2vg3 h LEU 150 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2vg3 h LEU 150 CO -0.01 0.65 0.09 0.50 0.09 0.00 0.00 178.44 179.77 2vg3 h LYS 151 N 1.13 0.22 0.00 1.13 3.64 -0.71 -1.31 116.57 120.68 2vg3 h LYS 151 Ca 0.39 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2vg3 h LYS 151 Cb 0.11 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2vg3 h LYS 151 CO -0.14 0.22 -0.15 0.87 -2.27 0.00 0.00 179.45 177.98 2vg3 h LYS 152 N 0.17 0.00 -0.00 1.90 1.57 -0.75 -1.67 116.57 117.79 2vg3 h LYS 152 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2vg3 h LYS 152 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2vg3 h LYS 152 CO -0.01 0.15 -0.02 1.28 -0.57 0.00 0.00 179.45 180.27 2vg3 n LEU 153 N -3.97 0.27 0.00 2.94 4.77 -0.66 -0.78 117.00 119.57 2vg3 n LEU 153 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2vg3 n LEU 153 Cb 0.24 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2vg3 n LEU 153 CO 0.33 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2vg3 n GLY 154 N 1.14 0.42 3.73 -0.72 0.00 -0.63 -4.71 105.19 104.42 2vg3 n GLY 154 Ca 0.19 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2vg3 n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vg3 s VAL 155 N -2.00 4.29 -0.32 1.61 1.01 -0.52 -1.17 120.40 123.30 2vg3 s VAL 155 Ca 0.00 1.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 2vg3 s VAL 155 Cb 0.00 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2vg3 s VAL 155 CO 0.00 0.25 0.20 -0.60 0.00 0.00 0.00 175.10 174.95 2vg3 s ARG 156 N 0.20 3.52 0.00 2.72 3.52 0.66 -4.48 118.95 125.10 2vg3 s ARG 156 Ca 0.50 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.55 2vg3 s ARG 156 Cb -0.26 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 2vg3 s ARG 156 CO 0.31 -0.39 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.72 2vg3 s ILE 157 N 1.69 1.54 0.18 4.11 2.07 -1.26 0.21 121.20 129.73 2vg3 s ILE 157 Ca 0.06 -0.93 -0.19 0.00 -1.41 0.00 0.00 60.65 58.17 2vg3 s ILE 157 Cb -0.17 -1.30 0.04 0.00 0.13 0.00 0.00 42.46 41.16 2vg3 s ILE 157 CO 0.09 0.34 0.54 0.00 -1.91 0.00 0.00 174.94 174.00 2vg3 s ARG 158 N -0.69 1.33 0.22 3.50 3.03 -1.02 -3.48 118.95 121.84 2vg3 s ARG 158 Ca 0.07 -0.74 -0.30 0.00 2.03 0.00 0.00 55.73 56.79 2vg3 s ARG 158 Cb -0.08 0.54 -0.08 0.00 -1.03 0.00 0.00 34.95 34.30 2vg3 s ARG 158 CO 0.00 -0.57 1.09 -0.46 -1.13 0.00 0.00 175.30 174.23 2vg3 s TRP 159 N -3.83 3.61 -0.12 5.89 -0.00 -1.26 -1.40 118.94 121.83 2vg3 s TRP 159 Ca 0.06 1.65 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 2vg3 s TRP 159 Cb -0.01 -3.26 0.02 0.00 -0.00 0.00 0.00 33.47 30.22 2vg3 s TRP 159 CO -0.06 -0.54 -0.10 0.08 -0.00 0.00 0.00 176.95 176.33 2vg3 s VAL 160 N -0.61 1.18 -3.30 5.86 1.01 -0.86 -4.87 120.40 118.82 2vg3 s VAL 160 Ca 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2vg3 s VAL 160 Cb -0.30 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2vg3 s VAL 160 CO 0.37 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.47 2vg3 n GLY 161 N 4.80 -1.97 3.70 4.51 0.00 -1.26 -1.50 105.19 113.46 2vg3 n GLY 161 Ca -0.15 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2vg3 n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vg3 s SER 162 N -1.42 5.13 -0.02 1.61 1.04 0.27 -4.93 113.70 115.38 2vg3 s SER 162 Ca 0.00 -0.12 -0.23 0.00 0.48 0.00 0.00 55.95 56.08 2vg3 s SER 162 Cb 0.00 -1.27 -0.21 0.00 0.10 0.00 0.00 66.02 64.64 2vg3 s SER 162 CO 0.00 0.19 1.12 0.03 0.98 0.00 0.00 173.24 175.56 2vg3 h ARG 163 N 3.57 0.23 -6.71 4.02 3.08 -1.94 -3.42 114.38 113.21 2vg3 h ARG 163 Ca -0.48 -0.20 -0.55 0.00 0.07 0.00 0.00 59.98 58.82 2vg3 h ARG 163 Cb 1.17 0.05 0.08 0.00 0.08 0.00 0.00 29.97 31.35 2vg3 h ARG 163 CO 0.60 0.88 0.80 -2.30 -1.07 0.00 0.00 179.97 178.88 2vg3 n PRO 164 N -4.50 2.48 0.00 0.04 -0.02 -1.26 -2.18 135.00 129.56 2vg3 n PRO 164 Ca -0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2vg3 n PRO 164 Cb 0.48 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2vg3 n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vg3 n ARG 165 N 2.25 0.00 -1.86 -0.52 5.12 -1.26 -4.99 116.66 115.39 2vg3 n ARG 165 Ca 0.10 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 2vg3 n ARG 165 Cb 0.35 -0.08 -0.02 0.00 -1.16 0.00 0.00 32.46 31.55 2vg3 n ARG 165 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2vg3 s LEU 166 N 0.00 4.36 0.21 0.55 2.96 -0.93 -4.90 118.68 120.94 2vg3 s LEU 166 Ca 0.00 2.82 -0.32 0.00 -0.22 0.00 0.00 54.13 56.41 2vg3 s LEU 166 Cb 0.00 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 2vg3 s LEU 166 CO 0.00 -0.84 1.67 0.26 -1.32 0.00 0.00 176.35 176.12 2vg3 s TRP 167 N 0.19 2.92 0.53 5.38 0.52 -1.26 -4.88 118.94 122.34 2vg3 s TRP 167 Ca 0.63 0.46 0.18 0.00 0.02 0.00 0.00 56.10 57.39 2vg3 s TRP 167 Cb -0.46 -4.09 1.34 0.00 -1.15 0.00 0.00 33.47 29.12 2vg3 s TRP 167 CO 0.44 -4.04 2.16 0.00 0.02 0.00 0.00 176.95 175.53 2vg3 h ARG 168 N 6.55 0.00 -0.49 4.98 3.08 -1.95 -1.41 114.38 125.14 2vg3 h ARG 168 Ca -0.43 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 2vg3 h ARG 168 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2vg3 h ARG 168 CO 0.93 0.01 0.11 0.66 -1.07 0.00 0.00 179.97 180.61 2vg3 h SER 169 N 0.00 0.70 -0.28 7.04 4.64 -1.98 -0.35 113.55 123.32 2vg3 h SER 169 Ca -0.00 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2vg3 h SER 169 Cb 0.02 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2vg3 h SER 169 CO 0.00 0.70 -0.02 0.58 -0.87 0.00 0.00 176.83 177.22 2vg3 h VAL 170 N 0.73 1.27 -0.51 0.95 2.07 -1.57 -1.32 116.25 117.86 2vg3 h VAL 170 Ca 0.16 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2vg3 h VAL 170 Cb 0.28 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2vg3 h VAL 170 CO -0.00 0.31 0.24 0.40 0.02 0.00 0.00 177.57 178.54 2vg3 h ILE 171 N 0.28 1.20 0.17 4.57 2.04 -1.41 -2.56 117.51 121.79 2vg3 h ILE 171 Ca 0.08 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2vg3 h ILE 171 Cb 0.47 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2vg3 h ILE 171 CO 0.02 0.22 -0.12 0.78 0.00 0.00 0.00 178.15 179.06 2vg3 h ASN 172 N 0.68 -0.29 -0.85 1.72 2.35 -0.87 0.12 115.58 118.44 2vg3 h ASN 172 Ca 0.17 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.01 2vg3 h ASN 172 Cb 0.13 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 2vg3 h ASN 172 CO -0.02 -0.19 0.55 -0.33 -1.65 0.00 0.00 177.43 175.80 2vg3 h GLU 173 N -0.29 0.90 -0.01 0.81 4.39 -1.23 -2.02 114.58 117.14 2vg3 h GLU 173 Ca -0.01 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 2vg3 h GLU 173 Cb 0.25 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2vg3 h GLU 173 CO 0.01 0.60 -0.70 -0.07 -1.16 0.00 0.00 179.01 177.68 2vg3 h LEU 174 N 0.93 0.07 -0.69 1.33 3.38 -1.01 -1.70 115.31 117.62 2vg3 h LEU 174 Ca 0.37 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 2vg3 h LEU 174 Cb 0.24 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2vg3 h LEU 174 CO -0.14 0.75 0.14 0.00 0.09 0.00 0.00 178.44 179.29 2vg3 h ALA 175 N 1.25 0.91 0.15 1.53 0.00 -0.09 0.20 119.26 123.20 2vg3 h ALA 175 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2vg3 h ALA 175 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2vg3 h ALA 175 CO 0.10 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.21 2vg3 h VAL 176 N 1.05 0.93 -0.94 0.00 2.07 -1.29 -1.03 116.25 117.04 2vg3 h VAL 176 Ca 0.21 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.57 2vg3 h VAL 176 Cb 0.41 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 2vg3 h VAL 176 CO 0.01 0.07 0.55 0.00 0.02 0.00 0.00 177.57 178.22 2vg3 h ALA 177 N 0.49 1.44 -0.13 1.67 0.00 -1.08 0.01 119.26 121.65 2vg3 h ALA 177 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2vg3 h ALA 177 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2vg3 h ALA 177 CO 0.03 0.05 -0.01 1.49 0.00 0.00 0.00 179.25 180.81 2vg3 h GLU 178 N 0.80 0.24 -0.59 0.00 4.81 -0.45 -2.39 114.58 117.00 2vg3 h GLU 178 Ca 0.50 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.56 2vg3 h GLU 178 Cb 0.62 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2vg3 h GLU 178 CO -0.32 0.50 0.04 1.49 -0.73 0.00 0.00 179.01 179.99 2vg3 h GLU 179 N -0.04 0.99 -0.06 1.92 4.57 -0.76 -2.03 114.58 119.18 2vg3 h GLU 179 Ca 0.04 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2vg3 h GLU 179 Cb 0.40 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2vg3 h GLU 179 CO 0.01 0.95 -0.19 0.52 -1.18 0.00 0.00 179.01 179.12 2vg3 h MET 180 N 0.92 0.09 -0.20 1.92 2.86 -0.93 -3.25 114.93 116.34 2vg3 h MET 180 Ca 0.18 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2vg3 h MET 180 Cb 0.48 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2vg3 h MET 180 CO 0.02 0.28 0.00 0.25 1.06 0.00 0.00 176.91 178.52 2vg3 n THR 181 N -4.28 1.14 0.27 2.22 -2.24 -0.91 -4.77 114.28 105.71 2vg3 n THR 181 Ca -0.02 -1.12 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2vg3 n THR 181 Cb 0.27 0.41 0.74 0.00 -2.10 0.00 0.00 70.33 69.65 2vg3 n THR 181 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2vg3 h LYS 182 N 1.20 0.00 -0.25 -0.78 2.10 -1.40 -1.32 116.57 116.11 2vg3 h LYS 182 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vg3 h LYS 182 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 2vg3 h LYS 182 CO 0.02 0.11 0.00 0.43 -2.00 0.00 0.00 179.45 178.00 2vg3 n SER 183 N -3.49 2.67 -4.85 7.07 7.64 -1.26 -4.96 113.62 116.44 2vg3 n SER 183 Ca -0.01 -1.87 -0.32 0.00 1.01 0.00 0.00 58.87 57.68 2vg3 n SER 183 Cb 0.25 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2vg3 n SER 183 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vg3 s ASN 184 N -1.60 6.59 0.00 6.43 0.01 -0.50 -5.01 114.94 120.87 2vg3 s ASN 184 Ca 0.35 1.47 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 2vg3 s ASN 184 Cb 0.20 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2vg3 s ASN 184 CO 0.30 -0.55 0.57 -0.90 -1.51 0.00 0.00 177.10 175.01 2vg3 n ASP 185 N -1.53 0.00 -0.09 -1.22 5.68 -1.22 -4.58 116.55 113.59 2vg3 n ASP 185 Ca 0.06 -1.31 -0.11 0.00 -0.50 0.00 0.00 54.79 52.93 2vg3 n ASP 185 Cb 0.54 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 2vg3 n ASP 185 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2vg3 h VAL 186 N 4.50 1.25 -2.11 2.12 2.07 -1.46 -3.46 116.25 119.15 2vg3 h VAL 186 Ca 0.00 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2vg3 h VAL 186 Cb 1.12 1.30 -0.20 0.00 -1.52 0.00 0.00 31.29 31.99 2vg3 h VAL 186 CO 0.00 0.28 0.11 -0.51 0.02 0.00 0.00 177.57 177.47 2vg3 s ILE 187 N -5.05 0.00 -0.19 4.57 2.07 -1.21 -4.73 121.20 116.66 2vg3 s ILE 187 Ca -0.14 -0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.01 2vg3 s ILE 187 Cb 0.08 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 2vg3 s ILE 187 CO 0.75 -0.02 0.04 -0.89 -1.91 0.00 0.00 174.94 172.91 2vg3 s THR 188 N -0.51 4.46 -0.23 4.00 2.01 -0.05 -0.24 115.64 125.08 2vg3 s THR 188 Ca -0.06 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2vg3 s THR 188 Cb -0.02 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2vg3 s THR 188 CO 0.06 0.44 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.77 2vg3 s ILE 189 N 0.64 3.47 -0.47 1.82 1.01 0.13 -1.04 121.20 126.76 2vg3 s ILE 189 Ca 0.02 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 2vg3 s ILE 189 Cb -0.13 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.75 2vg3 s ILE 189 CO 0.02 0.37 0.83 0.20 0.00 0.00 0.00 174.94 176.36 2vg3 s ASN 190 N 1.48 6.40 -0.66 3.58 0.01 0.15 -2.45 114.94 123.46 2vg3 s ASN 190 Ca 0.05 -0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 51.86 2vg3 s ASN 190 Cb -0.15 -2.40 0.14 0.00 0.41 0.00 0.00 41.25 39.25 2vg3 s ASN 190 CO -0.02 -0.99 0.70 -0.47 -1.51 0.00 0.00 177.10 174.80 2vg3 s TYR 191 N 3.45 3.24 -0.48 2.20 5.04 -0.49 -1.20 117.35 129.10 2vg3 s TYR 191 Ca 0.30 -1.31 -0.21 0.00 -2.44 0.00 0.00 57.07 53.41 2vg3 s TYR 191 Cb -0.12 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 38.28 2vg3 s TYR 191 CO 0.22 -1.18 0.69 0.00 -1.34 0.00 0.00 175.55 173.95 2vg3 s VAL 193 N 2.97 0.78 -1.40 0.00 1.01 -0.56 0.01 120.40 123.21 2vg3 s VAL 193 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2vg3 s VAL 193 Cb -0.16 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2vg3 s VAL 193 CO 0.17 0.29 0.91 -3.20 0.00 0.00 0.00 175.10 173.27 2vg3 n ASN 194 N 4.20 -3.48 -4.84 3.32 5.15 0.72 -4.19 115.26 116.15 2vg3 n ASN 194 Ca -0.21 -0.75 -0.37 0.00 -0.60 0.00 0.00 54.58 52.65 2vg3 n ASN 194 Cb 0.51 -4.22 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 2vg3 n ASN 194 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2vg3 s TYR 195 N -3.44 3.62 -0.11 1.20 5.04 -0.87 -0.56 117.35 122.22 2vg3 s TYR 195 Ca 0.36 0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 55.62 2vg3 s TYR 195 Cb -0.17 -2.11 0.05 0.00 0.35 0.00 0.00 41.96 40.08 2vg3 s TYR 195 CO 0.80 0.64 0.25 0.20 -1.34 0.00 0.00 175.55 176.10 2vg3 s GLY 196 N -0.83 -0.13 0.11 8.97 0.00 -1.26 -1.26 107.32 112.91 2vg3 s GLY 196 Ca 0.18 0.98 -0.23 0.00 0.00 0.00 0.00 44.72 45.65 2vg3 s GLY 196 CO 0.07 1.47 1.71 -1.33 0.00 0.00 0.00 173.10 175.01 2vg3 h GLY 197 N 7.52 -0.04 1.01 0.20 0.00 -0.87 0.56 103.07 111.45 2vg3 h GLY 197 Ca -0.33 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2vg3 h GLY 197 CO 0.30 -0.08 0.59 3.21 0.00 0.00 0.00 176.54 180.56 2vg3 h ARG 198 N -0.11 1.17 -0.74 4.80 3.08 -1.98 -2.41 114.38 118.20 2vg3 h ARG 198 Ca 0.04 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2vg3 h ARG 198 Cb 0.16 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2vg3 h ARG 198 CO -0.10 0.77 0.34 1.15 -1.07 0.00 0.00 179.97 181.07 2vg3 h THR 199 N 1.21 1.24 -0.51 2.04 2.02 -1.79 -1.66 112.91 115.46 2vg3 h THR 199 Ca 0.33 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 2vg3 h THR 199 Cb -0.14 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 2vg3 h THR 199 CO -0.07 0.29 0.21 -0.08 0.37 0.00 0.00 175.52 176.24 2vg3 h GLU 200 N 1.04 0.75 -0.48 6.66 4.81 -0.61 -0.52 114.58 126.22 2vg3 h GLU 200 Ca 0.25 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2vg3 h GLU 200 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2vg3 h GLU 200 CO -0.03 0.65 0.18 0.82 -0.73 0.00 0.00 179.01 179.91 2vg3 h ILE 201 N 0.68 1.21 -0.96 2.32 2.04 -1.35 -1.79 117.51 119.66 2vg3 h ILE 201 Ca 0.17 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.41 2vg3 h ILE 201 Cb 0.18 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2vg3 h ILE 201 CO -0.02 0.25 0.62 0.74 0.00 0.00 0.00 178.15 179.75 2vg3 h THR 202 N 0.63 1.12 -0.51 -0.27 2.02 -0.91 -0.34 112.91 114.66 2vg3 h THR 202 Ca 0.16 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 2vg3 h THR 202 Cb 0.21 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 2vg3 h THR 202 CO -0.01 0.21 -0.12 -0.33 0.37 0.00 0.00 175.52 175.64 2vg3 h GLU 203 N 1.16 0.98 -0.58 6.66 5.08 -0.88 -0.37 114.58 126.63 2vg3 h GLU 203 Ca 0.40 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2vg3 h GLU 203 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2vg3 h GLU 203 CO -0.14 1.05 0.37 0.00 -1.00 0.00 0.00 179.01 179.29 2vg3 h ALA 204 N 0.90 0.74 -0.86 3.43 0.00 -0.79 -1.10 119.26 121.59 2vg3 h ALA 204 Ca 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2vg3 h ALA 204 Cb 0.68 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2vg3 h ALA 204 CO 0.05 0.21 0.57 1.15 0.00 0.00 0.00 179.25 181.23 2vg3 h THR 205 N 0.79 1.22 -0.09 0.00 2.02 -0.72 -1.02 112.91 115.10 2vg3 h THR 205 Ca 0.21 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2vg3 h THR 205 Cb -0.04 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 2vg3 h THR 205 CO -0.04 0.21 0.06 0.03 0.37 0.00 0.00 175.52 176.15 2vg3 h ARG 206 N 1.16 0.12 -0.25 6.66 3.08 -0.74 0.14 114.38 124.55 2vg3 h ARG 206 Ca 0.32 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.41 2vg3 h ARG 206 Cb -0.13 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 2vg3 h ARG 206 CO -0.07 0.10 -0.14 0.93 -1.07 0.00 0.00 179.97 179.72 2vg3 h GLU 207 N 0.11 -0.11 -0.54 0.04 5.08 -0.90 -0.46 114.58 117.80 2vg3 h GLU 207 Ca 0.03 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2vg3 h GLU 207 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2vg3 h GLU 207 CO -0.01 -0.07 0.25 0.82 -1.00 0.00 0.00 179.01 179.00 2vg3 h ILE 208 N -0.11 0.91 -0.35 3.13 2.04 -0.99 -1.70 117.51 120.44 2vg3 h ILE 208 Ca 0.13 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2vg3 h ILE 208 Cb 0.31 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2vg3 h ILE 208 CO -0.32 0.09 0.14 0.00 0.00 0.00 0.00 178.15 178.06 2vg3 h ALA 209 N 1.31 1.61 -0.27 1.87 0.00 -0.39 -1.40 119.26 121.99 2vg3 h ALA 209 Ca 0.25 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2vg3 h ALA 209 Cb 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vg3 h ALA 209 CO -0.20 0.31 -0.29 0.00 0.00 0.00 0.00 179.25 179.08 2vg3 h ARG 210 N 0.48 0.68 -0.45 0.00 3.08 -0.20 -1.31 114.38 116.65 2vg3 h ARG 210 Ca 0.12 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 2vg3 h ARG 210 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2vg3 h ARG 210 CO -0.01 0.97 -0.02 0.93 -1.07 0.00 0.00 179.97 180.77 2vg3 h GLU 211 N 0.41 0.76 0.04 0.04 5.08 -1.12 -1.25 114.58 118.53 2vg3 h GLU 211 Ca 0.04 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2vg3 h GLU 211 Cb 0.86 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2vg3 h GLU 211 CO 0.07 0.78 -0.02 0.28 -1.00 0.00 0.00 179.01 179.12 2vg3 h VAL 212 N 0.70 0.99 0.00 3.13 2.07 -1.20 0.28 116.25 122.23 2vg3 h VAL 212 Ca 0.14 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2vg3 h VAL 212 Cb 0.47 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2vg3 h VAL 212 CO 0.02 0.02 -0.16 0.00 0.02 0.00 0.00 177.57 177.48 2vg3 h ALA 213 N 0.87 1.72 -0.00 1.67 0.00 -0.93 0.23 119.26 122.83 2vg3 h ALA 213 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vg3 h ALA 213 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vg3 h ALA 213 CO 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.45 2vg3 n ALA 214 N -2.50 2.55 -1.09 0.00 0.00 -0.50 -4.92 120.51 114.04 2vg3 n ALA 214 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2vg3 n ALA 214 Cb 0.22 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 2vg3 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vg3 n GLY 215 N 1.22 0.63 0.52 0.00 0.00 0.82 -4.91 105.19 103.47 2vg3 n GLY 215 Ca 0.17 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.47 2vg3 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vg3 n ARG 216 N -2.85 1.39 -3.71 1.61 1.74 0.93 -4.87 116.66 110.90 2vg3 n ARG 216 Ca -0.03 -1.05 -0.15 0.00 -0.77 0.00 0.00 57.85 55.85 2vg3 n ARG 216 Cb 0.11 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 2vg3 n ARG 216 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2vg3 s LEU 217 N -2.34 0.31 -0.20 0.55 2.96 -1.14 -4.91 118.68 113.91 2vg3 s LEU 217 Ca 0.24 0.33 -0.27 0.00 -0.22 0.00 0.00 54.13 54.21 2vg3 s LEU 217 Cb 0.19 0.35 -0.00 0.00 0.50 0.00 0.00 46.19 47.23 2vg3 s LEU 217 CO 0.48 -0.20 0.94 0.21 -1.32 0.00 0.00 176.35 176.46 2vg3 s ASN 218 N 1.73 7.02 0.39 3.68 2.47 -1.26 -4.31 114.94 124.66 2vg3 s ASN 218 Ca -0.03 1.27 0.15 0.00 0.42 0.00 0.00 52.86 54.67 2vg3 s ASN 218 Cb -0.12 -2.50 1.01 0.00 -1.45 0.00 0.00 41.25 38.19 2vg3 s ASN 218 CO -0.06 -0.54 1.82 -0.65 -3.72 0.00 0.00 177.10 173.95 2vg3 h PRO 219 N 7.43 0.48 0.00 0.43 0.11 -1.99 -1.97 132.00 136.49 2vg3 h PRO 219 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2vg3 h PRO 219 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2vg3 h PRO 219 CO 0.90 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 179.40 2vg3 n GLU 220 N -4.58 0.15 -0.43 1.05 -0.58 -1.26 -2.18 120.64 112.80 2vg3 n GLU 220 Ca 0.21 0.44 0.08 0.00 -0.42 0.00 0.00 57.16 57.48 2vg3 n GLU 220 Cb 0.70 -1.82 0.27 0.00 -0.57 0.00 0.00 31.44 30.02 2vg3 n GLU 220 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2vg3 n ARG 221 N -2.11 3.26 -2.50 3.49 1.74 -0.74 -4.95 116.66 114.84 2vg3 n ARG 221 Ca 0.02 -2.62 -0.42 0.00 -0.77 0.00 0.00 57.85 54.06 2vg3 n ARG 221 Cb 0.18 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 2vg3 n ARG 221 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2vg3 s ILE 222 N -1.76 4.08 0.37 0.55 1.01 -0.93 -4.95 121.20 119.57 2vg3 s ILE 222 Ca 0.41 1.60 0.06 0.00 0.00 0.00 0.00 60.65 62.71 2vg3 s ILE 222 Cb 0.27 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2vg3 s ILE 222 CO 0.19 0.18 0.22 0.28 0.00 0.00 0.00 174.94 175.81 2vg3 s THR 223 N 0.54 0.24 0.30 2.92 -1.32 -1.26 -4.99 115.64 112.07 2vg3 s THR 223 Ca 0.54 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.03 2vg3 s THR 223 Cb -0.28 -2.40 0.28 0.00 -1.51 0.00 0.00 72.50 68.59 2vg3 s THR 223 CO 0.31 0.00 1.88 -0.08 -2.21 0.00 0.00 174.62 174.52 2vg3 h GLU 224 N 1.94 0.98 -0.05 7.08 4.81 -2.01 -0.61 114.58 126.73 2vg3 h GLU 224 Ca -0.29 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2vg3 h GLU 224 Cb 1.25 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2vg3 h GLU 224 CO 0.45 0.65 -0.24 0.66 -0.73 0.00 0.00 179.01 179.79 2vg3 h SER 225 N 1.01 0.07 -0.80 1.04 4.64 -1.98 -2.10 113.55 115.42 2vg3 h SER 225 Ca 0.44 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.77 2vg3 h SER 225 Cb 0.33 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2vg3 h SER 225 CO -0.19 0.32 0.51 0.74 -0.87 0.00 0.00 176.83 177.34 2vg3 h THR 226 N 0.07 1.13 -0.12 2.95 2.02 -1.48 0.31 112.91 117.80 2vg3 h THR 226 Ca 0.01 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2vg3 h THR 226 Cb 0.47 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2vg3 h THR 226 CO 0.03 0.18 -0.02 0.40 0.37 0.00 0.00 175.52 176.48 2vg3 h ILE 227 N 1.01 1.28 -0.89 3.11 2.04 -1.33 -2.63 117.51 120.10 2vg3 h ILE 227 Ca 0.32 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.32 2vg3 h ILE 227 Cb -0.00 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 2vg3 h ILE 227 CO -0.11 0.27 0.54 0.00 0.00 0.00 0.00 178.15 178.85 2vg3 h ALA 228 N 0.70 1.25 0.00 1.87 0.00 -0.83 -0.38 119.26 121.87 2vg3 h ALA 228 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vg3 h ALA 228 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2vg3 h ALA 228 CO 0.01 0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 2vg3 h ARG 229 N 0.96 0.00 -0.25 0.00 3.08 -0.33 -3.19 114.38 114.65 2vg3 h ARG 229 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2vg3 h ARG 229 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2vg3 h ARG 229 CO -0.20 0.05 0.00 0.72 -1.07 0.00 0.00 179.97 179.46 2vg3 n HIS 230 N -3.23 0.32 -1.22 3.04 8.25 -0.19 -4.76 115.22 117.44 2vg3 n HIS 230 Ca -0.01 -0.25 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 2vg3 n HIS 230 Cb 0.25 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.45 2vg3 n HIS 230 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vg3 s LEU 231 N -1.13 2.89 0.21 2.41 1.43 -0.97 -4.16 118.68 119.36 2vg3 s LEU 231 Ca 0.25 1.78 -0.09 0.00 -1.03 0.00 0.00 54.13 55.04 2vg3 s LEU 231 Cb 0.15 -4.42 0.31 0.00 0.03 0.00 0.00 46.19 42.26 2vg3 s LEU 231 CO 0.20 -2.19 1.73 -0.61 0.23 0.00 0.00 176.35 175.71 2vg3 h GLN 232 N -1.24 0.35 -3.11 1.70 4.15 -1.91 -3.25 115.11 111.79 2vg3 h GLN 232 Ca -0.45 -0.02 -0.62 0.00 0.77 0.00 0.00 58.65 58.33 2vg3 h GLN 232 Cb 1.24 -0.08 -0.41 0.00 0.21 0.00 0.00 27.48 28.44 2vg3 h GLN 232 CO 0.51 0.23 -0.63 1.03 -1.93 0.00 0.00 178.83 178.04 2vg3 s ARG 233 N -6.09 2.09 0.23 1.69 1.81 -1.26 -4.98 118.95 112.45 2vg3 s ARG 233 Ca -0.13 -2.92 0.20 0.00 -1.72 0.00 0.00 55.73 51.17 2vg3 s ARG 233 Cb 0.18 -3.15 0.92 0.00 -0.45 0.00 0.00 34.95 32.46 2vg3 s ARG 233 CO 0.75 -1.23 1.61 -0.35 -0.68 0.00 0.00 175.30 175.40 2vg3 n PRO 234 N 2.52 0.14 0.00 3.54 -0.04 -1.23 -2.51 135.00 137.43 2vg3 n PRO 234 Ca 0.15 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2vg3 n PRO 234 Cb 0.35 -1.83 0.72 0.00 -0.04 0.00 0.00 33.50 32.70 2vg3 n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2vg3 n ASP 235 N -2.11 0.00 -4.66 3.54 5.75 -1.26 -4.84 116.55 112.97 2vg3 n ASP 235 Ca 0.01 -0.06 -0.43 0.00 -0.01 0.00 0.00 54.79 54.30 2vg3 n ASP 235 Cb 0.14 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 2vg3 n ASP 235 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vg3 s ILE 236 N -2.62 3.96 0.84 2.12 1.01 -1.04 -4.99 121.20 120.48 2vg3 s ILE 236 Ca 0.26 1.16 -0.13 0.00 0.00 0.00 0.00 60.65 61.94 2vg3 s ILE 236 Cb 0.20 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 39.02 2vg3 s ILE 236 CO 0.45 -0.11 1.19 -2.16 0.00 0.00 0.00 174.94 174.32 2vg3 s PRO 237 N 3.76 1.70 0.46 2.79 0.04 -1.26 -4.98 135.00 137.51 2vg3 s PRO 237 Ca 0.63 0.07 -0.23 0.00 0.04 0.00 0.00 61.00 61.52 2vg3 s PRO 237 Cb -0.27 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2vg3 s PRO 237 CO 0.21 -1.77 1.01 -0.25 0.04 0.00 0.00 177.00 176.24 2vg3 n ASP 238 N -3.43 1.19 -4.67 6.66 8.00 -1.26 -4.92 116.55 118.12 2vg3 n ASP 238 Ca 0.09 0.98 -0.43 0.00 0.71 0.00 0.00 54.79 56.14 2vg3 n ASP 238 Cb 0.61 -1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.31 2vg3 n ASP 238 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vg3 s VAL 239 N -1.34 4.27 -0.09 2.53 1.01 -0.17 -4.50 120.40 122.11 2vg3 s VAL 239 Ca 0.66 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 64.02 2vg3 s VAL 239 Cb -0.52 -4.01 -0.28 0.00 0.00 0.00 0.00 36.38 31.58 2vg3 s VAL 239 CO 0.55 -0.10 0.64 0.44 0.00 0.00 0.00 175.10 176.63 2vg3 h ASP 240 N 7.97 0.38 -3.23 3.32 3.32 -1.59 -3.26 116.42 123.33 2vg3 h ASP 240 Ca -0.29 -0.87 -0.54 0.00 0.02 0.00 0.00 57.03 55.35 2vg3 h ASP 240 Cb 1.12 -0.12 -0.36 0.00 0.22 0.00 0.00 39.33 40.19 2vg3 h ASP 240 CO 0.94 1.54 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.97 2vg3 s LEU 241 N -7.67 1.41 -0.23 1.55 2.96 -1.01 -1.54 118.68 114.15 2vg3 s LEU 241 Ca -0.19 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2vg3 s LEU 241 Cb 0.03 -0.91 -0.00 0.00 0.50 0.00 0.00 46.19 45.81 2vg3 s LEU 241 CO 0.77 -0.06 -0.04 0.12 -1.32 0.00 0.00 176.35 175.82 2vg3 s PHE 242 N 1.39 2.98 -0.01 5.38 5.36 0.85 -0.97 117.98 132.96 2vg3 s PHE 242 Ca -0.00 -1.00 0.03 0.00 -0.96 0.00 0.00 56.93 55.00 2vg3 s PHE 242 Cb -0.13 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 2vg3 s PHE 242 CO -0.05 -0.57 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.54 2vg3 s LEU 243 N 1.46 3.06 -0.06 6.12 1.43 0.55 -1.21 118.68 130.04 2vg3 s LEU 243 Ca 0.05 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2vg3 s LEU 243 Cb -0.15 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2vg3 s LEU 243 CO -0.03 0.30 0.14 -0.60 0.23 0.00 0.00 176.35 176.39 2vg3 s ARG 244 N -1.23 0.15 0.59 1.70 3.52 -1.17 -1.07 118.95 121.45 2vg3 s ARG 244 Ca 0.15 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 56.02 2vg3 s ARG 244 Cb -0.11 0.03 0.07 0.00 -1.56 0.00 0.00 34.95 33.38 2vg3 s ARG 244 CO 0.05 -0.05 0.82 0.95 -0.81 0.00 0.00 175.30 176.27 2vg3 s THR 245 N 0.29 2.41 0.00 4.11 -4.23 -1.14 -1.63 115.64 115.45 2vg3 s THR 245 Ca -0.02 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2vg3 s THR 245 Cb -0.03 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2vg3 s THR 245 CO -0.01 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.53 2vg3 n SER 246 N -2.41 0.00 0.00 3.99 3.41 0.84 -3.79 113.62 115.66 2vg3 n SER 246 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2vg3 n SER 246 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2vg3 n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vg3 n GLY 247 N -2.00 0.71 3.72 5.00 0.00 -0.97 -4.85 105.19 106.81 2vg3 n GLY 247 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2vg3 n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vg3 s GLU 248 N -0.62 4.59 -0.85 1.61 0.41 -1.25 -4.99 118.70 117.61 2vg3 s GLU 248 Ca 0.00 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 2vg3 s GLU 248 Cb 0.00 -3.36 0.22 0.00 -1.78 0.00 0.00 34.13 29.22 2vg3 s GLU 248 CO 0.00 0.03 0.79 1.04 -0.49 0.00 0.00 175.26 176.63 2vg3 n GLN 249 N 3.09 2.64 -3.51 1.61 6.02 -1.26 -4.79 117.38 121.18 2vg3 n GLN 249 Ca 0.04 -4.52 -0.17 0.00 -0.01 0.00 0.00 57.00 52.35 2vg3 n GLN 249 Cb 0.48 -2.38 -0.05 0.00 1.02 0.00 0.00 30.24 29.31 2vg3 n GLN 249 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2vg3 s ARG 250 N -1.68 1.04 0.18 -1.09 1.70 -1.26 -5.06 118.95 112.78 2vg3 s ARG 250 Ca 0.29 0.17 0.22 0.00 -0.47 0.00 0.00 55.73 55.94 2vg3 s ARG 250 Cb -0.02 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2vg3 s ARG 250 CO -0.10 -0.34 0.98 -1.13 -1.08 0.00 0.00 175.30 173.63 2vg3 n SER 251 N 0.74 0.77 -4.02 -2.89 3.41 -1.26 -4.96 113.62 105.41 2vg3 n SER 251 Ca -0.18 0.30 -0.28 0.00 -0.26 0.00 0.00 58.87 58.45 2vg3 n SER 251 Cb 0.58 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 2vg3 n SER 251 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2vg3 n SER 252 N -2.64 -0.50 -0.29 4.04 7.64 -1.26 -2.12 113.62 118.49 2vg3 n SER 252 Ca -0.01 -1.08 -0.04 0.00 1.01 0.00 0.00 58.87 58.75 2vg3 n SER 252 Cb 0.56 -2.68 -0.02 0.00 -1.01 0.00 0.00 64.21 61.06 2vg3 n SER 252 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2vg3 n ASN 253 N -2.91 -4.38 -4.75 6.43 5.15 -1.26 -4.93 115.26 108.61 2vg3 n ASN 253 Ca -0.29 0.09 -0.38 0.00 -0.60 0.00 0.00 54.58 53.40 2vg3 n ASN 253 Cb 0.68 -2.22 -0.06 0.00 -0.53 0.00 0.00 39.78 37.65 2vg3 n ASN 253 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2vg3 s PHE 254 N -1.83 3.60 -1.51 1.20 5.36 -0.90 -0.11 117.98 123.78 2vg3 s PHE 254 Ca 0.00 1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 56.97 2vg3 s PHE 254 Cb 0.00 -2.57 0.04 0.00 -0.34 0.00 0.00 43.02 40.15 2vg3 s PHE 254 CO 0.00 0.27 0.38 -1.33 -1.46 0.00 0.00 175.22 173.08 2vg3 n MET 255 N 3.19 -2.60 0.28 10.12 2.81 -1.26 -4.82 117.12 124.84 2vg3 n MET 255 Ca -0.07 0.31 -0.16 0.00 -1.81 0.00 0.00 57.70 55.97 2vg3 n MET 255 Cb 0.51 -4.40 -0.08 0.00 -0.71 0.00 0.00 33.22 28.54 2vg3 n MET 255 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2vg3 h LEU 256 N -1.73 -0.85 -0.39 4.03 5.85 -1.87 0.36 115.31 120.70 2vg3 h LEU 256 Ca -0.63 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 2vg3 h LEU 256 Cb 1.38 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 2vg3 h LEU 256 CO 0.68 -0.50 0.13 -0.25 -0.34 0.00 0.00 178.44 178.16 2vg3 h TRP 257 N -0.78 0.63 0.00 1.25 2.91 -1.89 -3.21 115.95 114.86 2vg3 h TRP 257 Ca -0.05 -0.06 -0.06 0.00 1.13 0.00 0.00 58.89 59.85 2vg3 h TRP 257 Cb 0.66 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 2vg3 h TRP 257 CO -0.13 0.58 -0.27 1.96 -1.03 0.00 0.00 178.44 179.56 2vg3 h GLN 258 N 0.49 0.00 -0.73 2.65 7.50 -1.86 -3.19 115.11 119.97 2vg3 h GLN 258 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2vg3 h GLN 258 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 2vg3 h GLN 258 CO -0.01 0.27 0.00 0.00 -1.50 0.00 0.00 178.83 177.59 2vg3 n ALA 259 N -2.24 2.57 -0.34 3.87 0.00 0.12 -1.00 120.51 123.49 2vg3 n ALA 259 Ca 0.00 -1.38 0.22 0.00 0.00 0.00 0.00 53.44 52.28 2vg3 n ALA 259 Cb 0.46 -0.96 0.48 0.00 0.00 0.00 0.00 19.45 19.43 2vg3 n ALA 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vg3 h ALA 260 N 4.32 2.13 -0.22 0.00 0.00 -1.60 -0.65 119.26 123.24 2vg3 h ALA 260 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vg3 h ALA 260 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2vg3 h ALA 260 CO 0.06 -0.57 0.00 0.66 0.00 0.00 0.00 179.25 179.40 2vg3 n TYR 261 N -4.72 0.67 -2.15 0.00 4.01 -1.26 -5.04 117.16 108.67 2vg3 n TYR 261 Ca 0.27 -0.83 -0.34 0.00 -0.16 0.00 0.00 57.90 56.83 2vg3 n TYR 261 Cb 0.88 -0.24 0.01 0.00 -0.31 0.00 0.00 39.34 39.68 2vg3 n TYR 261 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vg3 s ALA 262 N -2.51 2.67 -0.00 -0.72 0.00 -0.25 -4.92 121.76 116.03 2vg3 s ALA 262 Ca 0.36 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2vg3 s ALA 262 Cb 0.29 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2vg3 s ALA 262 CO 0.08 -0.84 0.58 -2.00 0.00 0.00 0.00 175.76 173.59 2vg3 s GLU 263 N -3.56 4.29 -0.14 0.00 2.12 -0.59 -4.94 118.70 115.88 2vg3 s GLU 263 Ca 0.70 0.70 -0.08 0.00 0.36 0.00 0.00 54.97 56.65 2vg3 s GLU 263 Cb -0.21 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2vg3 s GLU 263 CO 0.31 0.40 0.14 0.71 -0.54 0.00 0.00 175.26 176.28 2vg3 s TYR 264 N -0.28 3.56 -0.08 5.30 1.51 -1.26 -0.10 117.35 125.98 2vg3 s TYR 264 Ca 0.30 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.84 2vg3 s TYR 264 Cb -0.18 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2vg3 s TYR 264 CO 0.17 0.63 -0.02 0.42 -1.11 0.00 0.00 175.55 175.64 2vg3 s ILE 265 N -0.70 0.58 -0.20 2.71 1.01 -0.35 -4.95 121.20 119.30 2vg3 s ILE 265 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 2vg3 s ILE 265 Cb -0.12 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2vg3 s ILE 265 CO 0.03 0.29 0.03 -0.36 0.00 0.00 0.00 174.94 174.93 2vg3 s PHE 266 N 1.88 3.11 -0.03 3.97 0.08 -1.26 -3.02 117.98 122.70 2vg3 s PHE 266 Ca 0.05 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2vg3 s PHE 266 Cb -0.12 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2vg3 s PHE 266 CO -0.06 -0.10 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.14 2vg3 s GLN 267 N 0.81 2.39 0.18 0.44 -0.21 -0.65 -4.97 119.66 117.65 2vg3 s GLN 267 Ca 0.02 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.66 2vg3 s GLN 267 Cb -0.14 -2.30 0.04 0.00 1.00 0.00 0.00 33.01 31.61 2vg3 s GLN 267 CO 0.02 0.60 1.41 -0.44 -2.12 0.00 0.00 175.29 174.77 2vg3 h ASP 268 N 5.25 0.23 -1.68 5.90 3.32 -1.89 -2.45 116.42 125.11 2vg3 h ASP 268 Ca -0.46 -0.18 -0.67 0.00 0.02 0.00 0.00 57.03 55.74 2vg3 h ASP 268 Cb 1.15 -0.07 0.08 0.00 0.22 0.00 0.00 39.33 40.71 2vg3 h ASP 268 CO 0.49 0.96 0.09 0.29 -1.72 0.00 0.00 179.24 179.35 2vg3 n LYS 269 N -3.68 0.81 -2.30 3.56 5.02 -1.26 -3.12 118.16 117.19 2vg3 n LYS 269 Ca -0.03 0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 56.18 2vg3 n LYS 269 Cb 0.77 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 2vg3 n LYS 269 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vg3 s LEU 270 N 0.94 3.99 0.18 -0.35 1.43 -1.26 -0.11 118.68 123.51 2vg3 s LEU 270 Ca 0.73 2.25 -0.14 0.00 -1.03 0.00 0.00 54.13 55.94 2vg3 s LEU 270 Cb -0.92 -4.28 0.18 0.00 0.03 0.00 0.00 46.19 41.20 2vg3 s LEU 270 CO 0.54 -0.90 1.69 -0.25 0.23 0.00 0.00 176.35 177.66 2vg3 h TRP 271 N 1.99 0.01 0.00 0.29 2.91 -1.44 -0.73 115.95 118.98 2vg3 h TRP 271 Ca -0.49 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.56 2vg3 h TRP 271 Cb 1.24 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2vg3 h TRP 271 CO 0.54 -0.09 0.01 -1.35 -1.03 0.00 0.00 178.44 176.52 2vg3 h PRO 272 N 0.13 0.00 -0.01 2.65 0.11 -1.86 -0.55 132.00 132.47 2vg3 h PRO 272 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2vg3 h PRO 272 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2vg3 h PRO 272 CO -0.39 0.00 -0.33 -0.25 -0.21 0.00 0.00 178.00 176.82 2vg3 n ASP 273 N -2.82 1.23 -4.83 -2.05 8.00 -0.29 -4.92 116.55 110.87 2vg3 n ASP 273 Ca -0.02 -1.01 -0.33 0.00 0.71 0.00 0.00 54.79 54.14 2vg3 n ASP 273 Cb 0.07 0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 2vg3 n ASP 273 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2vg3 s TYR 274 N -2.53 3.36 0.30 1.24 5.04 -0.22 -4.97 117.35 119.58 2vg3 s TYR 274 Ca 0.22 1.55 -0.07 0.00 -2.44 0.00 0.00 57.07 56.33 2vg3 s TYR 274 Cb 0.19 -2.83 -0.00 0.00 0.35 0.00 0.00 41.96 39.67 2vg3 s TYR 274 CO 0.55 -0.21 0.47 0.16 -1.34 0.00 0.00 175.55 175.17 2vg3 s ASP 275 N -2.53 0.40 0.57 4.32 1.47 -1.26 -4.87 116.67 114.76 2vg3 s ASP 275 Ca 0.61 -1.24 0.26 0.00 1.18 0.00 0.00 52.55 53.36 2vg3 s ASP 275 Cb -0.09 0.62 1.64 0.00 -0.34 0.00 0.00 42.92 44.75 2vg3 s ASP 275 CO 0.20 -1.22 2.21 0.08 0.68 0.00 0.00 175.17 177.12 2vg3 h ARG 276 N 2.20 0.00 -0.22 2.11 0.11 -1.92 0.83 114.38 117.49 2vg3 h ARG 276 Ca -0.28 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.76 2vg3 h ARG 276 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 2vg3 h ARG 276 CO 0.39 0.01 -0.04 0.00 0.10 0.00 0.00 179.97 180.43 2vg3 h ARG 277 N 0.00 0.33 -0.29 0.08 3.08 -1.96 -1.32 114.38 114.30 2vg3 h ARG 277 Ca -0.00 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2vg3 h ARG 277 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2vg3 h ARG 277 CO 0.00 0.39 -0.50 -0.44 -1.07 0.00 0.00 179.97 178.35 2vg3 h ASP 278 N 0.32 0.94 -0.38 7.04 3.32 -1.24 -0.91 116.42 125.50 2vg3 h ASP 278 Ca 0.07 -0.53 0.05 0.00 0.02 0.00 0.00 57.03 56.64 2vg3 h ASP 278 Cb 0.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2vg3 h ASP 278 CO 0.01 1.29 0.13 0.25 -1.72 0.00 0.00 179.24 179.20 2vg3 h LEU 279 N 0.62 0.13 -0.50 1.55 5.85 -1.37 -2.55 115.31 119.04 2vg3 h LEU 279 Ca 0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2vg3 h LEU 279 Cb 1.11 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2vg3 h LEU 279 CO 0.11 0.11 0.28 -0.50 -0.34 0.00 0.00 178.44 178.10 2vg3 h TRP 280 N 0.28 0.69 -0.60 1.25 6.55 -1.11 -1.11 115.95 121.90 2vg3 h TRP 280 Ca 0.18 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 60.06 2vg3 h TRP 280 Cb 0.16 -0.22 -0.05 0.00 -0.86 0.00 0.00 29.16 28.18 2vg3 h TRP 280 CO -0.15 0.51 0.31 0.00 -1.05 0.00 0.00 178.44 178.06 2vg3 h ALA 281 N 1.12 0.79 -0.35 1.49 0.00 -1.02 0.84 119.26 122.13 2vg3 h ALA 281 Ca 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2vg3 h ALA 281 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2vg3 h ALA 281 CO -0.03 -0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.26 2vg3 h ALA 282 N 1.33 0.46 -0.89 0.00 0.00 -1.19 -1.55 119.26 117.43 2vg3 h ALA 282 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vg3 h ALA 282 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2vg3 h ALA 282 CO -0.19 0.14 0.51 0.00 0.00 0.00 0.00 179.25 179.71 2vg3 h GLU 284 N 1.24 0.98 -0.54 0.00 4.81 -0.77 0.19 114.58 120.50 2vg3 h GLU 284 Ca 0.32 -0.35 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2vg3 h GLU 284 Cb -0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2vg3 h GLU 284 CO -0.05 1.02 0.29 1.49 -0.73 0.00 0.00 179.01 181.03 2vg3 h GLU 285 N 0.86 0.54 -0.15 1.92 4.81 -0.86 -0.98 114.58 120.72 2vg3 h GLU 285 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2vg3 h GLU 285 Cb 0.62 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2vg3 h GLU 285 CO 0.04 0.36 0.04 -0.92 -0.73 0.00 0.00 179.01 177.80 2vg3 h TYR 286 N 0.56 0.24 -0.09 0.92 3.20 -0.83 -3.21 116.97 117.75 2vg3 h TYR 286 Ca 0.23 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 2vg3 h TYR 286 Cb 0.11 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2vg3 h TYR 286 CO -0.09 0.37 -0.34 0.00 -1.64 0.00 0.00 178.16 176.46 2vg3 h ALA 287 N 0.85 1.26 0.00 1.82 0.00 -0.38 -3.24 119.26 119.58 2vg3 h ALA 287 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2vg3 h ALA 287 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2vg3 h ALA 287 CO -0.00 0.51 -0.50 0.77 0.00 0.00 0.00 179.25 180.03 2vg3 h SER 288 N 0.16 0.00 -3.99 0.00 0.02 -1.20 -3.46 113.55 105.07 2vg3 h SER 288 Ca 0.02 -0.11 -0.49 0.00 -0.84 0.00 0.00 61.79 60.36 2vg3 h SER 288 Cb 0.68 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.26 2vg3 h SER 288 CO 0.05 0.06 0.45 -0.13 -1.14 0.00 0.00 176.83 176.12 2vg3 s ARG 289 N -3.19 3.91 0.20 3.45 0.52 -1.22 -4.97 118.95 117.66 2vg3 s ARG 289 Ca 0.06 1.64 -0.32 0.00 -0.52 0.00 0.00 55.73 56.59 2vg3 s ARG 289 Cb 0.12 -2.43 -0.12 0.00 0.52 0.00 0.00 34.95 33.03 2vg3 s ARG 289 CO 0.70 -0.39 1.70 2.41 0.02 0.00 0.00 175.30 179.74 2vg3 n THR 290 N -0.37 0.03 -2.94 0.02 -1.04 -1.26 -4.90 114.28 103.82 2vg3 n THR 290 Ca 0.07 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.05 61.63 2vg3 n THR 290 Cb 0.49 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.04 2vg3 n THR 290 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2vg3 s ARG 291 N 1.08 3.15 0.71 -2.82 6.06 -1.26 -5.01 118.95 120.87 2vg3 s ARG 291 Ca 0.75 -1.08 -0.10 0.00 -2.50 0.00 0.00 55.73 52.80 2vg3 s ARG 291 Cb -0.53 -4.32 0.03 0.00 0.06 0.00 0.00 34.95 30.19 2vg3 s ARG 291 CO 0.33 -1.74 1.08 1.03 -2.50 0.00 0.00 175.30 173.51 2vg3 s ARG 292 N 3.51 2.57 0.25 5.12 0.52 -1.26 -4.88 118.95 124.78 2vg3 s ARG 292 Ca 0.20 0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 55.34 2vg3 s ARG 292 Cb -0.17 -2.06 -0.14 0.00 0.52 0.00 0.00 34.95 33.10 2vg3 s ARG 292 CO 0.07 -1.15 1.31 0.34 0.02 0.00 0.00 175.30 175.89 2vg3 n PHE 293 N -3.01 1.94 0.00 -0.53 7.35 -1.26 -1.47 117.46 120.47 2vg3 n PHE 293 Ca 0.07 0.52 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 2vg3 n PHE 293 Cb 0.59 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 38.01 2vg3 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2vg3 n GLY 294 N 1.84 2.58 3.57 7.13 0.00 -1.26 -5.07 105.19 113.97 2vg3 n GLY 294 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2vg3 n GLY 294 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vg3 s SER 295 N -0.14 5.29 0.00 1.61 0.01 -0.54 -5.17 113.70 114.77 2vg3 s SER 295 Ca 0.00 -0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.34 2vg3 s SER 295 Cb 0.00 -1.90 0.63 0.00 0.21 0.00 0.00 66.02 64.96 2vg3 s SER 295 CO 0.00 0.15 1.07 0.00 0.41 0.00 0.00 173.24 174.87