#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 2.28 -2.48 -7.13 -0.04 -1.26 -3.75 135.00 122.63 2vg3 n PRO 14 Ca 0.00 -2.55 -0.31 0.00 -0.04 0.00 0.00 63.50 60.60 2vg3 n PRO 14 Cb 0.00 -2.00 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 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 -2.95 3.81 0.24 0.54 1.11 -1.26 -4.28 119.66 116.86 2vg3 s GLN 15 Ca 0.50 0.71 -0.30 0.00 0.01 0.00 0.00 55.36 56.28 2vg3 s GLN 15 Cb 0.40 -2.23 -0.09 0.00 -1.01 0.00 0.00 33.01 30.08 2vg3 s GLN 15 CO 0.00 -0.24 1.12 -0.51 0.01 0.00 0.00 175.29 175.68 2vg3 s LEU 16 N -4.23 4.52 0.77 2.90 1.43 -0.39 -5.02 118.68 118.66 2vg3 s LEU 16 Ca 0.55 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.75 2vg3 s LEU 16 Cb -0.10 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.56 2vg3 s LEU 16 CO 0.36 -0.21 1.19 -2.16 0.23 0.00 0.00 176.35 175.76 2vg3 s PRO 17 N -1.02 1.91 0.59 1.29 0.04 -1.26 -4.87 135.00 131.68 2vg3 s PRO 17 Ca 0.47 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 2vg3 s PRO 17 Cb -0.32 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 2vg3 s PRO 17 CO 0.39 -2.00 0.46 -2.30 0.04 0.00 0.00 177.00 173.59 2vg3 n PRO 18 N -3.05 0.43 -2.63 0.56 -0.02 -1.26 -4.93 135.00 124.11 2vg3 n PRO 18 Ca 0.13 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 2vg3 n PRO 18 Cb 0.51 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.77 3.02 0.30 3.55 0.00 -1.26 -5.01 121.76 120.59 2vg3 s ALA 19 Ca 0.67 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 2vg3 s ALA 19 Cb -0.43 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 2vg3 s ALA 19 CO 0.56 -0.13 1.41 -2.30 0.00 0.00 0.00 175.76 175.30 2vg3 n PRO 20 N -0.42 2.26 -0.35 0.00 -0.02 -1.26 -4.86 135.00 130.35 2vg3 n PRO 20 Ca 0.07 0.80 0.27 0.00 -2.02 0.00 0.00 63.50 62.61 2vg3 n PRO 20 Cb 0.52 -2.46 0.52 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.61 0.45 0.53 2.55 -0.00 -2.00 0.37 116.42 121.94 2vg3 h ASP 21 Ca -0.46 0.19 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 2vg3 h ASP 21 Cb 1.26 0.15 0.00 0.00 -0.00 0.00 0.00 39.33 40.74 2vg3 h ASP 21 CO 0.71 -0.17 -0.11 0.47 -0.00 0.00 0.00 179.24 180.13 2vg3 n ASP 22 N -5.01 0.30 -4.78 2.28 10.43 -1.26 -4.92 116.55 113.60 2vg3 n ASP 22 Ca 0.33 -0.27 -0.41 0.00 2.57 0.00 0.00 54.79 57.01 2vg3 n ASP 22 Cb 1.08 -0.15 -0.00 0.00 1.84 0.00 0.00 41.12 43.89 2vg3 n ASP 22 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2vg3 s TYR 23 N -2.65 2.65 0.59 1.24 5.04 0.13 -4.90 117.35 119.46 2vg3 s TYR 23 Ca 0.24 1.19 -0.19 0.00 -2.44 0.00 0.00 57.07 55.87 2vg3 s TYR 23 Cb 0.20 -3.98 -0.04 0.00 0.35 0.00 0.00 41.96 38.48 2vg3 s TYR 23 CO 0.51 -2.85 1.12 -2.30 -1.34 0.00 0.00 175.55 170.68 2vg3 n PRO 24 N 0.55 1.14 -3.71 4.97 -0.02 -1.26 -4.70 135.00 131.98 2vg3 n PRO 24 Ca 0.01 0.43 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 2vg3 n PRO 24 Cb 0.40 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.42 2.19 -0.24 3.45 -4.23 -1.26 -1.10 115.64 113.02 2vg3 s THR 25 Ca 0.75 -1.41 -0.27 0.00 -1.18 0.00 0.00 61.69 59.58 2vg3 s THR 25 Cb -0.42 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 70.95 2vg3 s THR 25 CO 0.47 0.00 1.04 0.12 -0.54 0.00 0.00 174.62 175.71 2vg3 s PHE 26 N -2.62 -0.42 0.07 3.99 5.36 0.19 -4.71 117.98 119.83 2vg3 s PHE 26 Ca 0.43 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 57.23 2vg3 s PHE 26 Cb -0.02 0.40 -0.06 0.00 -0.34 0.00 0.00 43.02 42.99 2vg3 s PHE 26 CO 0.25 -0.26 0.42 -1.25 -1.46 0.00 0.00 175.22 172.93 2vg3 s PRO 27 N -0.22 3.83 -0.54 10.12 0.04 -1.26 -2.35 135.00 144.62 2vg3 s PRO 27 Ca 0.02 0.27 -0.18 0.00 0.04 0.00 0.00 61.00 61.15 2vg3 s PRO 27 Cb -0.04 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.54 2vg3 s PRO 27 CO -0.04 0.58 0.62 0.34 0.04 0.00 0.00 177.00 178.54 2vg3 s ASP 28 N -1.58 6.20 -0.11 6.66 2.15 -1.26 -4.81 116.67 123.91 2vg3 s ASP 28 Ca 0.31 -1.22 0.05 0.00 0.43 0.00 0.00 52.55 52.12 2vg3 s ASP 28 Cb -0.15 -2.28 0.33 0.00 -0.30 0.00 0.00 42.92 40.53 2vg3 s ASP 28 CO 0.17 -0.94 1.06 0.35 -0.17 0.00 0.00 175.17 175.64 2vg3 n THR 29 N 5.51 1.24 0.45 1.71 -2.24 -1.26 -4.09 114.28 115.60 2vg3 n THR 29 Ca -0.09 -0.60 0.12 0.00 -2.27 0.00 0.00 64.05 61.21 2vg3 n THR 29 Cb 0.44 -0.46 0.48 0.00 -2.10 0.00 0.00 70.33 68.68 2vg3 n THR 29 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vg3 n SER 30 N 0.19 0.70 -4.10 3.42 3.41 -1.26 -4.76 113.62 111.23 2vg3 n SER 30 Ca 0.13 0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 59.30 2vg3 n SER 30 Cb 0.69 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 2vg3 n SER 30 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2vg3 s THR 31 N -3.27 0.37 -0.04 6.66 -4.23 -1.26 -5.16 115.64 108.71 2vg3 s THR 31 Ca 0.06 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 2vg3 s THR 31 Cb 0.10 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.62 2vg3 s THR 31 CO 0.44 -0.84 -0.12 0.86 -0.54 0.00 0.00 174.62 174.42 2vg3 s TRP 32 N -3.29 1.27 0.75 3.99 -0.00 -1.26 -3.70 118.94 116.70 2vg3 s TRP 32 Ca 0.04 -0.39 -0.13 0.00 -0.00 0.00 0.00 56.10 55.62 2vg3 s TRP 32 Cb 0.03 -0.91 0.05 0.00 -0.00 0.00 0.00 33.47 32.64 2vg3 s TRP 32 CO -0.06 -0.18 1.15 -2.14 -0.00 0.00 0.00 176.95 175.72 2vg3 s PRO 33 N 0.37 2.13 -0.04 5.86 0.02 -1.26 -5.08 135.00 136.99 2vg3 s PRO 33 Ca -0.08 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 2vg3 s PRO 33 Cb -0.12 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 2vg3 s PRO 33 CO 0.02 -1.79 1.39 0.08 -0.33 0.00 0.00 177.00 176.37 2vg3 s VAL 34 N -2.36 3.85 -0.33 3.83 1.01 -1.24 -4.95 120.40 120.20 2vg3 s VAL 34 Ca 0.69 1.17 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 2vg3 s VAL 34 Cb -0.24 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2vg3 s VAL 34 CO 0.48 -0.03 1.35 -0.69 0.00 0.00 0.00 175.10 176.21 2vg3 s VAL 35 N 2.76 4.04 0.06 2.92 1.01 -1.26 -4.98 120.40 124.94 2vg3 s VAL 35 Ca 0.63 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 2vg3 s VAL 35 Cb -0.29 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 31.87 2vg3 s VAL 35 CO 0.24 -0.56 1.39 0.12 0.00 0.00 0.00 175.10 176.29 2vg3 s PHE 36 N 4.76 3.05 0.57 5.22 5.36 -1.26 -4.82 117.98 130.86 2vg3 s PHE 36 Ca 0.59 0.90 -0.17 0.00 -0.96 0.00 0.00 56.93 57.28 2vg3 s PHE 36 Cb -0.16 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 2vg3 s PHE 36 CO 0.27 -2.37 1.06 -1.25 -1.46 0.00 0.00 175.22 171.47 2vg3 s PRO 37 N 1.75 3.37 0.38 10.12 0.04 -1.26 -5.00 135.00 144.41 2vg3 s PRO 37 Ca 0.64 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 2vg3 s PRO 37 Cb -0.34 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 2vg3 s PRO 37 CO 0.28 -0.78 1.37 -2.00 0.04 0.00 0.00 177.00 175.91 2vg3 s GLU 38 N -3.84 4.10 0.00 4.56 2.12 -1.26 -5.02 118.70 119.36 2vg3 s GLU 38 Ca 0.65 2.31 0.06 0.00 0.36 0.00 0.00 54.97 58.35 2vg3 s GLU 38 Cb -0.17 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2vg3 s GLU 38 CO 0.33 -0.44 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.94 2vg3 s LEU 39 N -2.17 2.69 0.74 2.70 1.43 -1.26 -4.89 118.68 117.92 2vg3 s LEU 39 Ca 0.54 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 2vg3 s LEU 39 Cb -0.41 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2vg3 s LEU 39 CO 0.55 0.29 1.20 -2.84 0.23 0.00 0.00 176.35 175.78 2vg3 s PRO 40 N -1.16 2.12 -0.09 1.29 0.02 -1.26 -4.98 135.00 130.93 2vg3 s PRO 40 Ca 0.14 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 2vg3 s PRO 40 Cb -0.11 -1.84 -0.19 0.00 0.02 0.00 0.00 34.50 32.39 2vg3 s PRO 40 CO 0.04 -1.84 0.77 0.00 -0.33 0.00 0.00 177.00 175.64 2vg3 h ALA 41 N -0.37 -0.06 -5.72 -1.55 0.00 -2.00 -3.45 119.26 106.10 2vg3 h ALA 41 Ca -0.47 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 2vg3 h ALA 41 Cb 1.29 0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.16 2vg3 h ALA 41 CO 0.50 -0.13 -0.48 0.00 0.00 0.00 0.00 179.25 179.14 2vg3 n ALA 42 N -2.58 -2.55 -2.45 0.00 0.00 -1.26 -4.75 120.51 106.92 2vg3 n ALA 42 Ca -0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 2vg3 n ALA 42 Cb 0.32 -2.65 -0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 -4.03 3.11 -0.04 0.00 0.04 -1.26 -4.10 135.00 128.72 2vg3 s PRO 43 Ca 0.17 -0.92 -0.30 0.00 0.04 0.00 0.00 61.00 59.99 2vg3 s PRO 43 Cb -0.04 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2vg3 s PRO 43 CO 0.79 0.01 1.09 0.71 0.04 0.00 0.00 177.00 179.63 2vg3 s TYR 44 N -2.24 3.44 0.00 0.56 2.02 -1.26 -5.15 117.35 114.72 2vg3 s TYR 44 Ca 0.45 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 2vg3 s TYR 44 Cb -0.10 -3.28 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 2vg3 s TYR 44 CO 0.32 -0.66 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 2vg3 n GLY 45 N 3.15 2.06 0.00 0.71 0.00 -1.26 -5.14 105.19 104.71 2vg3 n GLY 45 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2vg3 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vg3 n GLY 46 N 0.00 0.60 3.77 -0.02 0.00 -1.26 -5.10 105.19 103.18 2vg3 n GLY 46 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2vg3 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vg3 s PRO 47 N 0.06 4.17 0.42 1.61 0.04 -1.26 -5.00 135.00 135.04 2vg3 s PRO 47 Ca 0.00 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 2vg3 s PRO 47 Cb 0.00 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 2vg3 s PRO 47 CO 0.00 -0.28 1.03 0.00 0.04 0.00 0.00 177.00 177.79 2vg3 s ARG 49 N -2.71 4.30 0.68 0.00 3.52 -1.26 -4.62 118.95 118.86 2vg3 s ARG 49 Ca 0.60 2.06 -0.17 0.00 -0.13 0.00 0.00 55.73 58.09 2vg3 s ARG 49 Cb -0.19 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2vg3 s ARG 49 CO 0.24 -0.49 1.24 -0.35 -0.81 0.00 0.00 175.30 175.14 2vg3 n PRO 50 N 4.40 0.90 -1.73 5.12 -0.04 -1.26 -4.90 135.00 137.49 2vg3 n PRO 50 Ca 0.12 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.54 2vg3 n PRO 50 Cb 0.43 -2.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 2vg3 n PRO 50 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2vg3 n PRO 51 N -2.12 2.11 -1.78 0.54 -0.04 -1.26 -4.98 135.00 127.46 2vg3 n PRO 51 Ca 0.15 0.75 -0.35 0.00 -0.04 0.00 0.00 63.50 64.01 2vg3 n PRO 51 Cb 0.48 -2.49 0.06 0.00 -0.04 0.00 0.00 33.50 31.51 2vg3 n PRO 51 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2vg3 s GLN 52 N -2.27 2.65 0.69 0.54 0.74 -0.26 -4.70 119.66 117.04 2vg3 s GLN 52 Ca 0.60 1.82 -0.16 0.00 0.05 0.00 0.00 55.36 57.68 2vg3 s GLN 52 Cb -0.49 -1.89 0.02 0.00 1.10 0.00 0.00 33.01 31.75 2vg3 s GLN 52 CO 0.58 -1.46 1.18 -1.58 -0.55 0.00 0.00 175.29 173.47 2vg3 s HIS 53 N -1.72 2.25 0.30 1.67 5.65 -1.26 -0.64 115.29 121.55 2vg3 s HIS 53 Ca 0.77 1.58 0.05 0.00 0.25 0.00 0.00 55.06 57.71 2vg3 s HIS 53 Cb -0.31 -3.39 0.79 0.00 -1.18 0.00 0.00 32.58 28.49 2vg3 s HIS 53 CO 0.38 -2.30 1.67 1.15 -0.65 0.00 0.00 174.74 174.99 2vg3 h THR 54 N -0.02 0.39 0.00 0.89 2.02 -1.78 0.11 112.91 114.51 2vg3 h THR 54 Ca -0.48 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2vg3 h THR 54 Cb 1.28 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2vg3 h THR 54 CO 0.52 0.06 0.00 -1.54 0.37 0.00 0.00 175.52 174.93 2vg3 n SER 55 N -5.11 0.26 -0.22 4.18 3.41 -1.26 -4.90 113.62 109.98 2vg3 n SER 55 Ca 0.24 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 59.35 2vg3 n SER 55 Cb 0.73 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2vg3 n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2vg3 n LYS 56 N -1.76 -0.68 -1.74 4.33 5.02 0.37 -5.00 118.16 118.70 2vg3 n LYS 56 Ca 0.05 0.41 -0.35 0.00 -2.02 0.00 0.00 58.31 56.40 2vg3 n LYS 56 Cb 0.32 -4.07 0.06 0.00 -0.02 0.00 0.00 35.03 31.32 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 -1.87 2.35 0.00 7.82 0.00 -1.26 -4.92 121.76 123.89 2vg3 s ALA 57 Ca 0.00 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2vg3 s ALA 57 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2vg3 s ALA 57 CO 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 175.76 174.29 2vg3 s ALA 58 N -1.72 3.46 0.36 0.00 0.00 -1.26 -4.65 121.76 117.94 2vg3 s ALA 58 Ca 0.77 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 2vg3 s ALA 58 Cb -0.31 -1.47 -0.11 0.00 0.00 0.00 0.00 23.12 21.23 2vg3 s ALA 58 CO 0.39 0.68 1.53 0.00 0.00 0.00 0.00 175.76 178.36 2vg3 s ALA 59 N -1.17 3.63 0.61 0.00 0.00 -1.26 -4.96 121.76 118.60 2vg3 s ALA 59 Ca 0.22 1.60 -0.17 0.00 0.00 0.00 0.00 51.96 53.61 2vg3 s ALA 59 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 2vg3 s ALA 59 CO 0.13 -1.07 1.11 -1.25 0.00 0.00 0.00 175.76 174.68 2vg3 s PRO 60 N -1.71 3.08 -1.15 0.00 0.04 -1.26 -4.93 135.00 129.07 2vg3 s PRO 60 Ca 0.56 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 2vg3 s PRO 60 Cb -0.47 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2vg3 s PRO 60 CO 0.60 -1.04 1.62 1.03 0.04 0.00 0.00 177.00 179.26 2vg3 s ARG 61 N -3.79 3.70 -0.24 4.56 0.52 -1.26 -4.96 118.95 117.48 2vg3 s ARG 61 Ca 0.69 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2vg3 s ARG 61 Cb -0.21 -5.43 -0.05 0.00 0.52 0.00 0.00 34.95 29.78 2vg3 s ARG 61 CO 0.35 -2.35 0.17 0.42 0.02 0.00 0.00 175.30 173.91 2vg3 s ILE 62 N 5.06 5.35 0.64 1.52 1.01 -1.26 -5.08 121.20 128.44 2vg3 s ILE 62 Ca 0.52 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 61.20 2vg3 s ILE 62 Cb 0.02 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 2vg3 s ILE 62 CO -0.00 0.34 1.16 -2.16 0.00 0.00 0.00 174.94 174.28 2vg3 s PRO 63 N 1.05 2.77 0.25 2.79 0.04 -1.26 -4.30 135.00 136.35 2vg3 s PRO 63 Ca 0.08 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2vg3 s PRO 63 Cb -0.13 -1.93 0.50 0.00 0.04 0.00 0.00 34.50 32.98 2vg3 s PRO 63 CO 0.04 -1.31 1.73 0.00 0.04 0.00 0.00 177.00 177.51 2vg3 h ALA 64 N 0.34 1.14 0.00 8.56 0.00 -1.95 -1.17 119.26 126.19 2vg3 h ALA 64 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2vg3 h ALA 64 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2vg3 h ALA 64 CO 0.54 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 2vg3 n ASP 65 N -4.98 0.21 -0.17 0.00 3.85 -1.26 -2.76 116.55 111.45 2vg3 n ASP 65 Ca 0.16 0.55 0.02 0.00 -0.71 0.00 0.00 54.79 54.80 2vg3 n ASP 65 Cb 0.44 -0.59 0.02 0.00 -1.35 0.00 0.00 41.12 39.63 2vg3 n ASP 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2vg3 n ARG 66 N -1.73 -0.38 -3.29 0.11 5.12 -0.50 -5.01 116.66 110.98 2vg3 n ARG 66 Ca 0.03 -0.76 -0.38 0.00 -1.93 0.00 0.00 57.85 54.81 2vg3 n ARG 66 Cb 0.20 -1.08 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 2vg3 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2vg3 s LEU 67 N -0.35 4.51 0.07 0.55 2.96 -0.84 -4.02 118.68 121.56 2vg3 s LEU 67 Ca 0.05 1.24 -0.31 0.00 -0.22 0.00 0.00 54.13 54.89 2vg3 s LEU 67 Cb 0.03 -2.91 -0.07 0.00 0.50 0.00 0.00 46.19 43.75 2vg3 s LEU 67 CO 0.05 0.27 1.33 -2.16 -1.32 0.00 0.00 176.35 174.52 2vg3 s PRO 68 N -1.17 4.34 0.12 0.98 0.04 -1.26 -4.93 135.00 133.12 2vg3 s PRO 68 Ca 0.29 1.96 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 2vg3 s PRO 68 Cb -0.19 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2vg3 s PRO 68 CO 0.19 -0.42 1.57 -0.97 0.04 0.00 0.00 177.00 177.41 2vg3 h ASN 69 N 7.05 0.68 -3.24 6.66 -1.24 -1.93 -3.42 115.58 120.14 2vg3 h ASN 69 Ca -0.41 -0.31 -0.52 0.00 0.71 0.00 0.00 56.30 55.78 2vg3 h ASN 69 Cb 1.20 -0.18 -0.38 0.00 0.73 0.00 0.00 38.32 39.69 2vg3 h ASN 69 CO 0.86 0.82 -0.79 -2.28 -1.29 0.00 0.00 177.43 174.75 2vg3 s HIS 70 N -5.01 1.36 -0.15 0.67 2.46 -1.26 -1.47 115.29 111.89 2vg3 s HIS 70 Ca -0.13 -0.74 -0.04 0.00 0.47 0.00 0.00 55.06 54.62 2vg3 s HIS 70 Cb 0.10 -1.16 -0.03 0.00 -0.13 0.00 0.00 32.58 31.36 2vg3 s HIS 70 CO 0.79 -0.52 -0.03 0.08 -2.47 0.00 0.00 174.74 172.59 2vg3 s VAL 71 N 1.75 3.93 -0.14 0.89 1.01 -0.58 -1.01 120.40 126.25 2vg3 s VAL 71 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2vg3 s VAL 71 Cb -0.14 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2vg3 s VAL 71 CO -0.07 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.45 2vg3 s ALA 72 N 0.31 2.88 -0.14 5.51 0.00 -0.19 -1.11 121.76 129.01 2vg3 s ALA 72 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2vg3 s ALA 72 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.58 2vg3 s ALA 72 CO 0.03 0.26 -0.18 0.42 0.00 0.00 0.00 175.76 176.29 2vg3 s ILE 73 N 0.24 1.79 -0.49 0.00 1.01 0.31 -0.25 121.20 123.81 2vg3 s ILE 73 Ca -0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 2vg3 s ILE 73 Cb -0.14 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.77 2vg3 s ILE 73 CO 0.04 0.50 0.56 -0.69 0.00 0.00 0.00 174.94 175.34 2vg3 s VAL 74 N 1.07 4.97 -0.11 2.92 1.01 0.16 -1.93 120.40 128.49 2vg3 s VAL 74 Ca -0.03 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2vg3 s VAL 74 Cb -0.14 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2vg3 s VAL 74 CO -0.05 -0.73 1.01 -0.04 0.00 0.00 0.00 175.10 175.29 2vg3 s MET 75 N 2.36 4.41 0.00 2.72 1.00 -1.26 -2.93 119.30 125.60 2vg3 s MET 75 Ca 0.12 1.39 -0.12 0.00 0.00 0.00 0.00 55.69 57.09 2vg3 s MET 75 Cb -0.20 -3.55 0.01 0.00 0.00 0.00 0.00 34.83 31.09 2vg3 s MET 75 CO 0.11 -0.34 0.25 0.34 0.00 0.00 0.00 175.02 175.37 2vg3 s ASP 76 N 1.11 -0.09 0.00 3.03 2.15 -1.26 -4.93 116.67 116.68 2vg3 s ASP 76 Ca 0.48 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.37 2vg3 s ASP 76 Cb -0.18 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2vg3 s ASP 76 CO 0.17 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2vg3 n GLY 77 N 1.17 0.91 0.26 2.66 0.00 -1.26 -1.09 105.19 107.83 2vg3 n GLY 77 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 0.75 -0.12 1.61 2.35 -1.91 -1.01 115.58 117.25 2vg3 h ASN 78 Ca 0.00 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2vg3 h ASN 78 Cb 0.00 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2vg3 h ASN 78 CO 0.00 0.60 -0.04 1.23 -1.65 0.00 0.00 177.43 177.58 2vg3 h GLY 79 N 0.84 0.26 0.96 2.83 0.00 -1.92 -1.81 103.07 104.23 2vg3 h GLY 79 Ca 0.22 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2vg3 h GLY 79 CO -0.04 0.20 0.66 3.21 0.00 0.00 0.00 176.54 180.57 2vg3 h ARG 80 N -0.09 1.26 -0.38 4.80 3.08 -1.96 -1.60 114.38 119.49 2vg3 h ARG 80 Ca 0.03 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2vg3 h ARG 80 Cb 0.47 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2vg3 h ARG 80 CO 0.01 0.84 0.23 2.35 -1.07 0.00 0.00 179.97 182.33 2vg3 h TRP 81 N 1.30 0.50 -0.48 3.04 7.01 -0.99 -1.64 115.95 124.69 2vg3 h TRP 81 Ca 0.38 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 2vg3 h TRP 81 Cb -0.08 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 2vg3 h TRP 81 CO -0.00 0.35 0.27 0.00 -2.79 0.00 0.00 178.44 176.27 2vg3 h ALA 82 N 1.11 0.61 -0.60 2.65 0.00 -1.02 -3.09 119.26 118.93 2vg3 h ALA 82 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2vg3 h ALA 82 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2vg3 h ALA 82 CO -0.03 0.13 0.24 1.15 0.00 0.00 0.00 179.25 180.75 2vg3 h THR 83 N 0.63 1.21 -0.33 0.00 2.02 -1.06 0.14 112.91 115.53 2vg3 h THR 83 Ca 0.17 -0.65 0.09 0.00 0.77 0.00 0.00 66.41 66.79 2vg3 h THR 83 Cb 0.05 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2vg3 h THR 83 CO -0.03 0.26 0.27 1.56 0.37 0.00 0.00 175.52 177.96 2vg3 h GLN 84 N 0.85 0.00 -0.21 6.66 4.20 -1.21 -2.09 115.11 123.31 2vg3 h GLN 84 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2vg3 h GLN 84 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2vg3 h GLN 84 CO -0.02 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.68 2vg3 n ARG 85 N -4.14 2.63 -2.11 1.46 1.74 -0.68 -4.97 116.66 110.59 2vg3 n ARG 85 Ca 0.05 -2.53 -0.21 0.00 -0.77 0.00 0.00 57.85 54.39 2vg3 n ARG 85 Cb 0.44 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.46 0.42 3.96 -0.13 0.00 -0.79 -4.96 105.19 103.23 2vg3 n GLY 86 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.57 4.32 0.42 0.99 1.43 0.41 -4.98 118.68 115.69 2vg3 s LEU 87 Ca 0.00 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 52.95 2vg3 s LEU 87 Cb 0.00 -2.89 -0.08 0.00 0.03 0.00 0.00 46.19 43.25 2vg3 s LEU 87 CO 0.00 -0.04 1.30 0.00 0.23 0.00 0.00 176.35 177.84 2vg3 s ALA 88 N -1.91 3.21 0.30 4.21 0.00 -1.26 -4.02 121.76 122.28 2vg3 s ALA 88 Ca 0.34 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2vg3 s ALA 88 Cb -0.10 -3.49 0.70 0.00 0.00 0.00 0.00 23.12 20.23 2vg3 s ALA 88 CO 0.29 -0.86 1.59 -0.09 0.00 0.00 0.00 175.76 176.69 2vg3 h ARG 89 N 2.55 0.04 -0.91 0.00 2.43 -1.92 -0.14 114.38 116.42 2vg3 h ARG 89 Ca -0.50 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 58.83 2vg3 h ARG 89 Cb 1.25 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.72 2vg3 h ARG 89 CO 0.62 0.02 0.59 1.79 -1.51 0.00 0.00 179.97 181.48 2vg3 h THR 90 N 0.04 0.78 -0.30 0.20 1.35 -1.95 -1.62 112.91 111.42 2vg3 h THR 90 Ca 0.57 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 66.12 2vg3 h THR 90 Cb 1.14 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2vg3 h THR 90 CO -0.87 0.12 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.01 2vg3 h GLU 91 N 0.65 0.54 -0.53 4.72 4.39 -1.38 -1.04 114.58 121.92 2vg3 h GLU 91 Ca 0.47 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.89 2vg3 h GLU 91 Cb 0.84 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2vg3 h GLU 91 CO -0.22 0.70 -0.08 0.78 -1.16 0.00 0.00 179.01 179.03 2vg3 h GLY 92 N 0.98 1.05 1.03 -3.84 0.00 -1.36 -2.04 103.07 98.90 2vg3 h GLY 92 Ca 0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2vg3 h GLY 92 CO 0.04 0.75 0.39 0.45 0.00 0.00 0.00 176.54 178.17 2vg3 h HIS 93 N 0.88 1.19 -0.63 5.60 3.86 -1.21 -2.62 115.15 122.22 2vg3 h HIS 93 Ca 0.14 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2vg3 h HIS 93 Cb 0.62 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2vg3 h HIS 93 CO 0.04 0.86 0.33 0.87 0.86 0.00 0.00 177.93 180.89 2vg3 h LYS 94 N 1.16 0.89 0.00 2.45 1.57 -1.07 -2.28 116.57 119.30 2vg3 h LYS 94 Ca 0.28 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2vg3 h LYS 94 Cb 0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2vg3 h LYS 94 CO -0.03 0.69 -0.11 0.52 -0.57 0.00 0.00 179.45 179.94 2vg3 h MET 95 N 0.86 0.00 0.00 3.15 2.86 -1.17 -2.85 114.93 117.78 2vg3 h MET 95 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2vg3 h MET 95 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2vg3 h MET 95 CO -0.03 0.11 0.00 0.78 1.06 0.00 0.00 176.91 178.83 2vg3 h GLY 96 N 0.84 0.00 0.79 8.32 0.00 -1.03 -3.31 103.07 108.68 2vg3 h GLY 96 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vg3 h GLY 96 CO 0.01 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 174.46 2vg3 h GLU 97 N 0.00 -0.02 -0.69 4.80 4.81 -1.55 -2.36 114.58 119.58 2vg3 h GLU 97 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2vg3 h GLU 97 Cb 0.51 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2vg3 h GLU 97 CO 0.00 0.19 0.45 0.00 -0.73 0.00 0.00 179.01 178.93 2vg3 h ALA 98 N 0.74 1.70 -0.53 2.92 0.00 -1.77 -2.36 119.26 119.96 2vg3 h ALA 98 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2vg3 h ALA 98 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2vg3 h ALA 98 CO 0.00 0.20 -0.08 0.28 0.00 0.00 0.00 179.25 179.66 2vg3 h VAL 99 N 0.74 1.26 -0.04 0.00 2.07 -1.63 -0.01 116.25 118.64 2vg3 h VAL 99 Ca 0.29 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2vg3 h VAL 99 Cb 0.20 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2vg3 h VAL 99 CO -0.09 0.42 -0.13 0.58 0.02 0.00 0.00 177.57 178.37 2vg3 h VAL 100 N 0.86 0.66 -0.60 2.57 2.07 -0.90 -0.16 116.25 120.75 2vg3 h VAL 100 Ca 0.14 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 2vg3 h VAL 100 Cb 0.61 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2vg3 h VAL 100 CO 0.04 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.09 2vg3 h ILE 101 N -0.21 1.26 -0.74 4.57 1.08 -1.36 -0.33 117.51 121.78 2vg3 h ILE 101 Ca 0.06 -1.04 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 2vg3 h ILE 101 Cb 0.29 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 2vg3 h ILE 101 CO -0.16 0.38 0.47 -0.78 -0.69 0.00 0.00 178.15 177.37 2vg3 h ASP 102 N 0.93 0.76 -0.06 1.72 3.58 -0.65 -0.32 116.42 122.38 2vg3 h ASP 102 Ca 0.18 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.48 2vg3 h ASP 102 Cb 0.46 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2vg3 h ASP 102 CO 0.02 0.52 -0.50 0.40 -2.88 0.00 0.00 179.24 176.80 2vg3 h ILE 103 N 0.90 1.31 -0.05 2.25 5.03 -0.54 -0.87 117.51 125.53 2vg3 h ILE 103 Ca 0.30 -1.72 0.04 0.00 -0.12 0.00 0.00 64.86 63.36 2vg3 h ILE 103 Cb 0.04 1.67 -0.05 0.00 -3.03 0.00 0.00 36.82 35.45 2vg3 h ILE 103 CO -0.12 0.54 -0.23 0.00 -0.68 0.00 0.00 178.15 177.67 2vg3 h ALA 104 N 0.95 -0.26 -0.20 1.87 0.00 -0.67 0.39 119.26 121.34 2vg3 h ALA 104 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2vg3 h ALA 104 Cb 1.05 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2vg3 h ALA 104 CO 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 179.25 178.65 2vg3 h GLY 106 N 0.08 1.34 0.74 0.00 0.00 -0.98 -1.68 103.07 102.56 2vg3 h GLY 106 Ca 0.09 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.92 2vg3 h GLY 106 CO -0.15 0.53 0.24 0.00 0.00 0.00 0.00 176.54 177.16 2vg3 h ALA 107 N 1.36 0.62 -0.11 3.60 0.00 0.27 -0.43 119.26 124.57 2vg3 h ALA 107 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2vg3 h ALA 107 Cb -0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vg3 h ALA 107 CO -0.07 -0.10 0.03 0.82 0.00 0.00 0.00 179.25 179.93 2vg3 h ILE 108 N 0.48 1.18 -0.46 0.00 2.04 -1.07 -0.39 117.51 119.29 2vg3 h ILE 108 Ca 0.21 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2vg3 h ILE 108 Cb 0.12 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2vg3 h ILE 108 CO -0.15 0.16 0.10 -0.33 0.00 0.00 0.00 178.15 177.94 2vg3 h GLU 109 N -0.01 0.24 0.00 2.37 5.08 -1.02 -2.52 114.58 118.72 2vg3 h GLU 109 Ca 0.04 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2vg3 h GLU 109 Cb 0.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2vg3 h GLU 109 CO -0.00 0.16 -0.46 1.25 -1.00 0.00 0.00 179.01 178.96 2vg3 h LEU 110 N 0.25 0.00 0.00 1.33 5.85 -0.97 -1.02 115.31 120.74 2vg3 h LEU 110 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2vg3 h LEU 110 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2vg3 h LEU 110 CO -0.29 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 2vg3 n GLY 111 N -0.07 1.16 3.73 3.75 0.00 -0.29 -4.14 105.19 109.33 2vg3 n GLY 111 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 3.34 -0.06 -0.61 1.01 -0.41 -4.94 121.20 117.53 2vg3 s ILE 112 Ca 0.00 1.06 0.21 0.00 0.00 0.00 0.00 60.65 61.92 2vg3 s ILE 112 Cb 0.00 -3.68 -0.32 0.00 0.01 0.00 0.00 42.46 38.47 2vg3 s ILE 112 CO 0.00 0.14 0.41 0.29 0.00 0.00 0.00 174.94 175.77 2vg3 n LYS 113 N 3.02 0.66 -4.23 2.79 4.76 -1.14 -4.56 118.16 119.46 2vg3 n LYS 113 Ca 0.07 -0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.16 2vg3 n LYS 113 Cb 0.43 -1.51 -0.15 0.00 -1.84 0.00 0.00 35.03 31.96 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 -3.33 0.70 -0.15 2.13 0.52 -0.54 -1.30 118.94 116.96 2vg3 s TRP 114 Ca -0.08 -0.16 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 2vg3 s TRP 114 Cb 0.13 -0.53 0.07 0.00 -1.15 0.00 0.00 33.47 31.98 2vg3 s TRP 114 CO 0.88 -0.09 0.15 -1.17 0.02 0.00 0.00 176.95 176.73 2vg3 s LEU 115 N 0.33 0.09 -0.16 2.99 2.96 0.06 -1.52 118.68 123.42 2vg3 s LEU 115 Ca -0.04 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2vg3 s LEU 115 Cb -0.08 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.65 2vg3 s LEU 115 CO 0.00 -0.31 0.06 -0.44 -1.32 0.00 0.00 176.35 174.34 2vg3 s SER 116 N 2.24 5.62 -0.10 3.68 0.01 -0.27 -1.11 113.70 123.77 2vg3 s SER 116 Ca 0.04 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.45 2vg3 s SER 116 Cb -0.15 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2vg3 s SER 116 CO -0.09 0.22 -0.21 -0.76 0.41 0.00 0.00 173.24 172.82 2vg3 s LEU 117 N 0.08 1.99 -1.23 2.44 1.43 -0.49 -0.53 118.68 122.36 2vg3 s LEU 117 Ca 0.05 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 2vg3 s LEU 117 Cb -0.12 -1.29 0.15 0.00 0.03 0.00 0.00 46.19 44.96 2vg3 s LEU 117 CO 0.01 0.11 1.52 0.00 0.23 0.00 0.00 176.35 178.22 2vg3 n TYR 118 N 3.72 4.79 0.03 0.29 -0.00 -0.81 -1.56 117.16 123.62 2vg3 n TYR 118 Ca -0.20 -3.24 -0.09 0.00 -0.00 0.00 0.00 57.90 54.36 2vg3 n TYR 118 Cb 0.52 -2.25 0.05 0.00 -0.00 0.00 0.00 39.34 37.67 2vg3 n TYR 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2vg3 h ALA 119 N 7.09 0.66 -2.00 2.98 0.00 -1.06 -3.41 119.26 123.51 2vg3 h ALA 119 Ca 0.35 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2vg3 h ALA 119 Cb 0.85 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.36 2vg3 h ALA 119 CO 1.31 0.72 0.00 0.12 0.00 0.00 0.00 179.25 181.40 2vg3 s PHE 120 N -3.80 -1.10 0.24 0.00 5.36 -0.85 -4.98 117.98 112.85 2vg3 s PHE 120 Ca -0.06 2.16 0.03 0.00 -0.96 0.00 0.00 56.93 58.09 2vg3 s PHE 120 Cb 0.11 0.66 -0.03 0.00 -0.34 0.00 0.00 43.02 43.41 2vg3 s PHE 120 CO 0.84 -0.55 0.39 0.45 -1.46 0.00 0.00 175.22 174.89 2vg3 s SER 121 N 1.79 6.33 0.59 6.13 0.15 -1.26 -0.13 113.70 127.29 2vg3 s SER 121 Ca -0.10 0.21 0.35 0.00 0.70 0.00 0.00 55.95 57.11 2vg3 s SER 121 Cb -0.06 -1.92 1.84 0.00 -1.71 0.00 0.00 66.02 64.17 2vg3 s SER 121 CO -0.20 -0.09 2.19 0.71 1.20 0.00 0.00 173.24 177.06 2vg3 h THR 122 N 1.23 0.27 0.00 6.45 1.35 -1.58 -1.54 112.91 119.09 2vg3 h THR 122 Ca -0.50 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2vg3 h THR 122 Cb 1.22 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2vg3 h THR 122 CO 0.63 0.04 -0.20 -0.33 -0.25 0.00 0.00 175.52 175.41 2vg3 h GLU 123 N 0.00 0.00 0.00 4.72 3.07 -1.94 -3.32 114.58 117.11 2vg3 h GLU 123 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2vg3 h GLU 123 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2vg3 h GLU 123 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 2vg3 n ASN 124 N -2.83 0.06 0.21 1.42 5.03 -0.58 -1.80 115.26 116.78 2vg3 n ASN 124 Ca 0.04 0.52 0.15 0.00 0.87 0.00 0.00 54.58 56.15 2vg3 n ASN 124 Cb 0.51 -0.53 0.75 0.00 -1.02 0.00 0.00 39.78 39.49 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 -1.71 -2.49 115.95 118.91 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 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2vg3 h TRP 125 CO 0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51 2vg3 n LYS 126 N -2.54 0.07 -1.48 0.49 5.02 -0.74 -4.83 118.16 114.14 2vg3 n LYS 126 Ca -0.01 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 2vg3 n LYS 126 Cb 0.10 -1.60 0.16 0.00 -0.02 0.00 0.00 35.03 33.68 2vg3 n LYS 126 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2vg3 s ARG 127 N -3.05 0.58 0.60 1.97 0.52 -0.94 -4.98 118.95 113.64 2vg3 s ARG 127 Ca 0.10 0.14 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 2vg3 s ARG 127 Cb 0.14 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 2vg3 s ARG 127 CO 0.46 -2.55 1.34 -1.54 0.02 0.00 0.00 175.30 173.03 2vg3 s SER 128 N -4.08 4.93 0.37 0.23 1.04 -1.26 -4.80 113.70 110.13 2vg3 s SER 128 Ca 0.67 2.72 0.08 0.00 0.48 0.00 0.00 55.95 59.90 2vg3 s SER 128 Cb -0.13 -2.63 0.82 0.00 0.10 0.00 0.00 66.02 64.18 2vg3 s SER 128 CO 0.54 -1.80 1.94 1.55 0.98 0.00 0.00 173.24 176.46 2vg3 h PRO 129 N 1.02 0.65 0.05 4.02 0.13 -1.93 -0.93 132.00 135.01 2vg3 h PRO 129 Ca -0.51 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2vg3 h PRO 129 Cb 1.32 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2vg3 h PRO 129 CO 0.55 0.43 -0.07 0.93 -0.23 0.00 0.00 178.00 179.62 2vg3 h GLU 130 N 0.67 -0.13 -0.49 0.86 3.07 -1.99 0.01 114.58 116.58 2vg3 h GLU 130 Ca 0.34 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 2vg3 h GLU 130 Cb 0.42 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 2vg3 h GLU 130 CO -0.12 -0.09 -0.13 1.49 -1.40 0.00 0.00 179.01 178.76 2vg3 h GLU 131 N -0.14 0.92 -0.38 2.33 4.81 -1.79 -0.87 114.58 119.47 2vg3 h GLU 131 Ca 0.01 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 2vg3 h GLU 131 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2vg3 h GLU 131 CO -0.03 0.99 0.07 0.28 -0.73 0.00 0.00 179.01 179.59 2vg3 h VAL 132 N 0.82 1.24 -0.65 0.32 2.07 -1.03 0.07 116.25 119.09 2vg3 h VAL 132 Ca 0.13 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2vg3 h VAL 132 Cb 0.67 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2vg3 h VAL 132 CO 0.05 0.28 0.41 -0.09 0.02 0.00 0.00 177.57 178.24 2vg3 h ARG 133 N 0.47 0.86 -0.05 1.57 2.43 -0.84 -0.14 114.38 118.68 2vg3 h ARG 133 Ca 0.12 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2vg3 h ARG 133 Cb 0.35 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2vg3 h ARG 133 CO 0.01 0.59 -0.03 0.35 -1.51 0.00 0.00 179.97 179.38 2vg3 h PHE 134 N 0.87 -0.06 -0.58 2.20 3.57 -0.91 -2.24 116.94 119.80 2vg3 h PHE 134 Ca 0.23 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2vg3 h PHE 134 Cb -0.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2vg3 h PHE 134 CO -0.02 -0.04 0.19 -0.07 -2.23 0.00 0.00 178.31 176.13 2vg3 h LEU 135 N -0.03 0.79 0.29 0.59 3.38 -0.56 0.46 115.31 120.23 2vg3 h LEU 135 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2vg3 h LEU 135 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2vg3 h LEU 135 CO -0.06 0.74 -0.14 0.24 0.09 0.00 0.00 178.44 179.31 2vg3 h MET 136 N 0.84 -0.38 -0.55 1.13 2.86 -0.98 -0.95 114.93 116.90 2vg3 h MET 136 Ca 0.19 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2vg3 h MET 136 Cb 0.23 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2vg3 h MET 136 CO -0.01 -0.09 0.28 0.78 1.06 0.00 0.00 176.91 178.93 2vg3 h GLY 137 N -0.65 0.82 0.82 8.32 0.00 -1.15 -1.82 103.07 109.41 2vg3 h GLY 137 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2vg3 h GLY 137 CO 0.07 0.35 0.03 -2.75 0.00 0.00 0.00 176.54 174.23 2vg3 h PHE 138 N 0.77 0.26 -0.62 5.60 3.57 -0.04 -1.86 116.94 124.62 2vg3 h PHE 138 Ca 0.19 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2vg3 h PHE 138 Cb 0.06 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2vg3 h PHE 138 CO 0.01 0.42 0.40 -0.91 -2.23 0.00 0.00 178.31 175.99 2vg3 h ASN 139 N 0.03 0.73 -0.35 0.41 2.35 -1.01 -0.50 115.58 117.24 2vg3 h ASN 139 Ca 0.05 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2vg3 h ASN 139 Cb 0.29 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 2vg3 h ASN 139 CO 0.00 0.55 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.14 2vg3 h ARG 140 N 0.84 -0.02 -0.42 0.81 2.43 -1.28 -2.44 114.38 114.30 2vg3 h ARG 140 Ca 0.23 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2vg3 h ARG 140 Cb -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2vg3 h ARG 140 CO -0.05 -0.01 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.75 2vg3 h ASP 141 N -0.02 0.90 -0.48 -3.80 3.32 -1.08 -2.55 116.42 112.71 2vg3 h ASP 141 Ca 0.17 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2vg3 h ASP 141 Cb 0.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2vg3 h ASP 141 CO -0.37 1.11 0.30 0.58 -1.72 0.00 0.00 179.24 179.14 2vg3 h VAL 142 N 0.70 1.14 -0.18 -1.35 2.07 -1.03 0.16 116.25 117.76 2vg3 h VAL 142 Ca 0.09 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2vg3 h VAL 142 Cb 0.77 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2vg3 h VAL 142 CO 0.06 0.15 0.05 0.58 0.02 0.00 0.00 177.57 178.43 2vg3 h VAL 143 N 0.65 1.19 -0.73 2.57 2.07 -1.40 -0.49 116.25 120.11 2vg3 h VAL 143 Ca 0.17 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.12 2vg3 h VAL 143 Cb -0.02 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2vg3 h VAL 143 CO -0.03 0.19 0.46 -0.09 0.02 0.00 0.00 177.57 178.11 2vg3 h ARG 144 N 0.11 0.86 0.00 1.57 2.43 -1.33 -1.17 114.38 116.85 2vg3 h ARG 144 Ca 0.06 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2vg3 h ARG 144 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2vg3 h ARG 144 CO -0.00 0.57 -0.44 -0.09 -1.51 0.00 0.00 179.97 178.50 2vg3 h ARG 145 N 0.89 0.00 0.00 0.20 2.43 -0.47 -3.35 114.38 114.07 2vg3 h ARG 145 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2vg3 h ARG 145 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2vg3 h ARG 145 CO -0.12 0.44 -0.80 0.54 -1.51 0.00 0.00 179.97 178.52 2vg3 n ARG 146 N -3.28 2.46 0.03 0.20 5.12 -0.21 -4.69 116.66 116.28 2vg3 n ARG 146 Ca 0.02 -0.03 0.01 0.00 -1.93 0.00 0.00 57.85 55.92 2vg3 n ARG 146 Cb 0.66 -1.11 0.33 0.00 -1.16 0.00 0.00 32.46 31.19 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 0.45 -0.24 5.56 0.11 -1.35 -1.22 114.38 117.70 2vg3 h ARG 147 Ca 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 2vg3 h ARG 147 Cb 0.34 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 2vg3 h ARG 147 CO 0.00 0.49 0.12 -0.44 0.10 0.00 0.00 179.97 180.24 2vg3 h ASP 148 N 0.44 0.30 -0.13 0.08 3.32 -1.84 -1.08 116.42 117.51 2vg3 h ASP 148 Ca 0.10 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2vg3 h ASP 148 Cb 0.31 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2vg3 h ASP 148 CO 0.01 0.33 -0.02 0.74 -1.72 0.00 0.00 179.24 178.58 2vg3 h THR 149 N 0.26 0.88 -0.94 0.35 2.02 -1.74 -2.09 112.91 111.66 2vg3 h THR 149 Ca 0.08 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.32 2vg3 h THR 149 Cb 0.10 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 2vg3 h THR 149 CO -0.01 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.42 2vg3 h LEU 150 N 0.02 0.95 -0.21 2.58 3.38 -1.09 -2.10 115.31 118.83 2vg3 h LEU 150 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2vg3 h LEU 150 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2vg3 h LEU 150 CO -0.12 0.61 0.09 0.50 0.09 0.00 0.00 178.44 179.60 2vg3 h LYS 151 N 1.08 0.32 -0.69 1.13 3.64 -0.88 -1.65 116.57 119.51 2vg3 h LYS 151 Ca 0.41 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.86 2vg3 h LYS 151 Cb 0.20 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2vg3 h LYS 151 CO -0.16 0.37 0.46 0.87 -2.27 0.00 0.00 179.45 178.73 2vg3 h LYS 152 N 0.19 0.38 -0.00 1.90 1.57 -0.75 -1.91 116.57 117.96 2vg3 h LYS 152 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2vg3 h LYS 152 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2vg3 h LYS 152 CO -0.01 0.25 -0.03 1.28 -0.57 0.00 0.00 179.45 180.37 2vg3 n LEU 153 N -4.47 0.16 -0.00 2.94 4.77 -0.86 -1.25 117.00 118.29 2vg3 n LEU 153 Ca 0.13 0.15 -0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2vg3 n LEU 153 Cb 0.48 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2vg3 n LEU 153 CO 0.33 0.03 -0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2vg3 n GLY 154 N 1.24 0.42 3.71 -0.72 0.00 -0.72 -4.69 105.19 104.43 2vg3 n GLY 154 Ca 0.16 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 4.47 -0.32 1.61 1.01 -0.66 -1.35 120.40 123.16 2vg3 s VAL 155 Ca 0.00 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 2vg3 s VAL 155 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2vg3 s VAL 155 CO 0.00 0.16 0.22 -0.60 0.00 0.00 0.00 175.10 174.87 2vg3 s ARG 156 N 0.90 3.57 0.10 2.72 3.52 0.13 -4.42 118.95 125.48 2vg3 s ARG 156 Ca 0.54 -0.58 0.10 0.00 -0.13 0.00 0.00 55.73 55.66 2vg3 s ARG 156 Cb -0.25 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 2vg3 s ARG 156 CO 0.29 -0.38 -0.26 -1.50 -0.81 0.00 0.00 175.30 172.63 2vg3 s ILE 157 N 1.72 2.19 0.14 4.11 2.07 -1.26 -0.44 121.20 129.73 2vg3 s ILE 157 Ca 0.06 -1.63 -0.24 0.00 -1.41 0.00 0.00 60.65 57.43 2vg3 s ILE 157 Cb -0.17 -1.92 0.07 0.00 0.13 0.00 0.00 42.46 40.57 2vg3 s ILE 157 CO 0.10 0.17 0.68 0.00 -1.91 0.00 0.00 174.94 173.97 2vg3 s ARG 158 N -1.80 1.25 0.18 3.50 3.03 -0.98 -3.62 118.95 120.51 2vg3 s ARG 158 Ca 0.13 -0.50 -0.30 0.00 2.03 0.00 0.00 55.73 57.09 2vg3 s ARG 158 Cb -0.10 0.55 -0.08 0.00 -1.03 0.00 0.00 34.95 34.29 2vg3 s ARG 158 CO 0.05 -0.55 1.12 -0.46 -1.13 0.00 0.00 175.30 174.33 2vg3 s TRP 159 N -3.64 3.56 -0.09 5.89 -0.00 -1.26 -0.87 118.94 122.53 2vg3 s TRP 159 Ca 0.03 1.56 0.01 0.00 -0.00 0.00 0.00 56.10 57.70 2vg3 s TRP 159 Cb -0.02 -3.31 0.02 0.00 -0.00 0.00 0.00 33.47 30.16 2vg3 s TRP 159 CO -0.10 -0.74 -0.12 0.08 -0.00 0.00 0.00 176.95 176.08 2vg3 s VAL 160 N -0.17 1.23 -3.63 5.86 1.01 -0.64 -4.86 120.40 119.19 2vg3 s VAL 160 Ca 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2vg3 s VAL 160 Cb -0.30 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2vg3 s VAL 160 CO 0.35 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2vg3 n GLY 161 N 4.23 -1.83 3.84 4.51 0.00 -1.26 -1.57 105.19 113.11 2vg3 n GLY 161 Ca -0.19 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 2vg3 n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vg3 s SER 162 N -2.26 6.41 -0.06 1.61 0.15 0.31 -4.93 113.70 114.94 2vg3 s SER 162 Ca 0.00 0.49 -0.26 0.00 0.70 0.00 0.00 55.95 56.88 2vg3 s SER 162 Cb 0.00 -2.10 -0.22 0.00 -1.71 0.00 0.00 66.02 61.99 2vg3 s SER 162 CO 0.00 0.34 1.08 -0.09 1.20 0.00 0.00 173.24 175.77 2vg3 h ARG 163 N 5.33 0.05 -6.49 5.44 2.43 -1.94 -3.41 114.38 115.80 2vg3 h ARG 163 Ca -0.51 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.01 2vg3 h ARG 163 Cb 1.21 0.01 0.07 0.00 -0.42 0.00 0.00 29.97 30.84 2vg3 h ARG 163 CO 0.62 0.73 0.65 -2.30 -1.51 0.00 0.00 179.97 178.16 2vg3 n PRO 164 N -4.71 1.89 0.00 0.20 -0.02 -1.26 -2.13 135.00 128.97 2vg3 n PRO 164 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2vg3 n PRO 164 Cb 0.37 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.70 0.00 -2.03 -0.52 1.74 -1.26 -5.00 116.66 112.29 2vg3 n ARG 165 Ca 0.15 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 2vg3 n ARG 165 Cb 0.28 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.11 2vg3 n ARG 165 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2vg3 s LEU 166 N 0.00 4.39 0.25 0.55 2.96 -0.90 -4.92 118.68 121.02 2vg3 s LEU 166 Ca 0.00 2.69 -0.31 0.00 -0.22 0.00 0.00 54.13 56.28 2vg3 s LEU 166 Cb 0.00 -3.63 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 2vg3 s LEU 166 CO 0.00 -0.66 1.63 0.79 -1.32 0.00 0.00 176.35 176.79 2vg3 n TRP 167 N 1.83 2.75 0.04 5.38 7.02 -1.26 -4.88 117.44 128.32 2vg3 n TRP 167 Ca 0.05 0.18 0.05 0.00 -1.02 0.00 0.00 57.50 56.76 2vg3 n TRP 167 Cb 0.41 -2.62 0.47 0.00 -2.42 0.00 0.00 31.31 27.15 2vg3 n TRP 167 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2vg3 h ARG 168 N 5.56 0.44 -0.82 -0.99 3.08 -1.95 -2.39 114.38 117.32 2vg3 h ARG 168 Ca -0.45 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 2vg3 h ARG 168 Cb 1.22 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2vg3 h ARG 168 CO 0.86 0.29 0.49 0.66 -1.07 0.00 0.00 179.97 181.19 2vg3 h SER 169 N 0.45 0.98 -0.21 7.04 4.64 -1.99 0.20 113.55 124.66 2vg3 h SER 169 Ca 0.14 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2vg3 h SER 169 Cb -0.00 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2vg3 h SER 169 CO -0.03 0.76 -0.14 0.58 -0.87 0.00 0.00 176.83 177.13 2vg3 h VAL 170 N 1.13 1.31 -0.72 0.95 2.07 -1.77 -0.82 116.25 118.40 2vg3 h VAL 170 Ca 0.29 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2vg3 h VAL 170 Cb -0.04 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2vg3 h VAL 170 CO -0.05 0.38 0.46 0.40 0.02 0.00 0.00 177.57 178.77 2vg3 h ILE 171 N 0.16 1.12 -0.40 4.57 2.04 -1.33 -2.25 117.51 121.42 2vg3 h ILE 171 Ca 0.04 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.44 2vg3 h ILE 171 Cb 0.66 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2vg3 h ILE 171 CO 0.04 0.16 -0.36 0.78 0.00 0.00 0.00 178.15 178.78 2vg3 h ASN 172 N 0.90 1.01 -0.50 1.72 4.21 -0.78 0.13 115.58 122.28 2vg3 h ASN 172 Ca 0.28 -0.45 -0.08 0.00 1.21 0.00 0.00 56.30 57.26 2vg3 h ASN 172 Cb -0.01 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.89 2vg3 h ASN 172 CO -0.10 1.25 0.03 -0.33 -1.29 0.00 0.00 177.43 176.99 2vg3 h GLU 173 N 0.78 0.91 -0.30 0.81 4.39 -0.98 -2.10 114.58 118.10 2vg3 h GLU 173 Ca 0.07 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 2vg3 h GLU 173 Cb 0.95 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2vg3 h GLU 173 CO 0.09 0.89 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.43 2vg3 h LEU 174 N 0.85 0.69 -1.09 1.33 3.38 -1.20 -1.67 115.31 117.61 2vg3 h LEU 174 Ca 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2vg3 h LEU 174 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2vg3 h LEU 174 CO 0.02 0.97 0.28 0.00 0.09 0.00 0.00 178.44 179.80 2vg3 h ALA 175 N 1.07 1.28 -0.04 1.53 0.00 -0.70 0.46 119.26 122.86 2vg3 h ALA 175 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2vg3 h ALA 175 Cb 0.84 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2vg3 h ALA 175 CO 0.07 0.54 0.00 0.28 0.00 0.00 0.00 179.25 180.14 2vg3 h VAL 176 N 0.91 1.25 -1.01 0.00 2.07 -1.24 -1.29 116.25 116.94 2vg3 h VAL 176 Ca 0.22 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2vg3 h VAL 176 Cb 0.14 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2vg3 h VAL 176 CO -0.02 0.20 0.65 0.00 0.02 0.00 0.00 177.57 178.42 2vg3 h ALA 177 N 0.71 1.38 -0.15 1.67 0.00 -0.99 -0.91 119.26 120.96 2vg3 h ALA 177 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2vg3 h ALA 177 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2vg3 h ALA 177 CO 0.00 0.50 0.07 1.49 0.00 0.00 0.00 179.25 181.31 2vg3 h GLU 178 N 1.22 0.22 -0.66 0.00 4.81 0.03 -2.29 114.58 117.92 2vg3 h GLU 178 Ca 0.42 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 2vg3 h GLU 178 Cb 0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2vg3 h GLU 178 CO -0.15 0.27 0.13 1.49 -0.73 0.00 0.00 179.01 180.01 2vg3 h GLU 179 N 0.12 1.06 -0.10 1.92 4.57 -0.84 -1.29 114.58 120.01 2vg3 h GLU 179 Ca 0.05 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 2vg3 h GLU 179 Cb 0.12 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2vg3 h GLU 179 CO -0.01 0.96 -0.15 0.52 -1.18 0.00 0.00 179.01 179.15 2vg3 h MET 180 N 1.00 0.16 -0.24 1.92 2.86 -1.09 -3.22 114.93 116.33 2vg3 h MET 180 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2vg3 h MET 180 Cb 0.40 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2vg3 h MET 180 CO 0.01 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.54 2vg3 n THR 181 N -4.29 1.12 0.33 2.22 -2.24 -0.87 -4.74 114.28 105.81 2vg3 n THR 181 Ca -0.01 -1.10 0.22 0.00 -2.27 0.00 0.00 64.05 60.88 2vg3 n THR 181 Cb 0.26 0.42 1.11 0.00 -2.10 0.00 0.00 70.33 70.02 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 1.40 0.00 -0.41 -0.78 2.10 -1.25 -1.56 116.57 116.07 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 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2vg3 h LYS 182 CO 0.02 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.34 2vg3 n SER 183 N -3.09 3.37 -4.85 7.07 3.41 -1.26 -4.98 113.62 113.29 2vg3 n SER 183 Ca -0.02 -2.19 -0.32 0.00 -0.26 0.00 0.00 58.87 56.08 2vg3 n SER 183 Cb 0.12 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 2vg3 n SER 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2vg3 s ASN 184 N -1.13 6.62 0.00 4.04 0.01 -0.59 -5.01 114.94 118.88 2vg3 s ASN 184 Ca 0.32 1.42 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 2vg3 s ASN 184 Cb 0.19 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2vg3 s ASN 184 CO 0.18 -0.49 0.32 -0.90 -1.51 0.00 0.00 177.10 174.70 2vg3 n ASP 185 N -1.36 0.00 -0.04 -1.22 5.75 -1.19 -4.58 116.55 113.90 2vg3 n ASP 185 Ca 0.05 -1.01 -0.12 0.00 -0.01 0.00 0.00 54.79 53.71 2vg3 n ASP 185 Cb 0.54 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 2vg3 n ASP 185 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2vg3 h VAL 186 N 3.04 1.23 -2.31 2.12 2.07 -1.53 -3.46 116.25 117.40 2vg3 h VAL 186 Ca 0.00 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2vg3 h VAL 186 Cb 1.00 1.48 -0.20 0.00 -1.52 0.00 0.00 31.29 32.06 2vg3 h VAL 186 CO 0.00 0.22 0.03 -0.51 0.02 0.00 0.00 177.57 177.33 2vg3 s ILE 187 N -5.08 0.01 -0.16 4.57 2.07 -1.19 -4.72 121.20 116.71 2vg3 s ILE 187 Ca -0.14 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 58.95 2vg3 s ILE 187 Cb 0.06 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 2vg3 s ILE 187 CO 0.71 -0.06 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.78 2vg3 s THR 188 N -0.80 4.13 -0.20 4.00 2.01 -0.42 -0.69 115.64 123.67 2vg3 s THR 188 Ca -0.08 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 2vg3 s THR 188 Cb -0.02 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 2vg3 s THR 188 CO 0.06 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.79 2vg3 s ILE 189 N 0.31 3.32 -0.44 1.82 1.01 0.42 -0.76 121.20 126.89 2vg3 s ILE 189 Ca -0.02 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 2vg3 s ILE 189 Cb -0.14 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.87 2vg3 s ILE 189 CO 0.02 0.44 0.77 0.20 0.00 0.00 0.00 174.94 176.38 2vg3 s ASN 190 N 1.25 6.42 -0.66 3.58 0.01 -0.26 -2.32 114.94 122.97 2vg3 s ASN 190 Ca 0.03 -0.06 -0.18 0.00 -0.71 0.00 0.00 52.86 51.93 2vg3 s ASN 190 Cb -0.14 -2.38 0.12 0.00 0.41 0.00 0.00 41.25 39.25 2vg3 s ASN 190 CO -0.02 -0.88 0.77 -0.47 -1.51 0.00 0.00 177.10 174.99 2vg3 s TYR 191 N 3.23 3.08 -0.42 2.20 5.04 -0.05 -1.40 117.35 129.03 2vg3 s TYR 191 Ca 0.29 -1.11 -0.23 0.00 -2.44 0.00 0.00 57.07 53.59 2vg3 s TYR 191 Cb -0.12 -4.04 0.02 0.00 0.35 0.00 0.00 41.96 38.17 2vg3 s TYR 191 CO 0.22 -1.30 0.76 0.00 -1.34 0.00 0.00 175.55 173.88 2vg3 s VAL 193 N 3.15 1.16 -1.41 0.00 1.01 -0.61 -0.39 120.40 123.30 2vg3 s VAL 193 Ca 0.29 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2vg3 s VAL 193 Cb -0.13 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2vg3 s VAL 193 CO 0.20 0.37 0.94 -3.20 0.00 0.00 0.00 175.10 173.41 2vg3 n ASN 194 N 4.05 -3.79 -4.84 3.32 5.15 0.81 -3.99 115.26 115.97 2vg3 n ASN 194 Ca -0.21 -0.74 -0.38 0.00 -0.60 0.00 0.00 54.58 52.66 2vg3 n ASN 194 Cb 0.51 -4.23 -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 -3.42 3.70 -0.11 1.20 6.14 -0.82 -0.53 117.35 123.51 2vg3 s TYR 195 Ca 0.41 0.92 -0.05 0.00 0.64 0.00 0.00 57.07 58.99 2vg3 s TYR 195 Cb -0.20 -2.25 0.05 0.00 0.42 0.00 0.00 41.96 39.99 2vg3 s TYR 195 CO 0.80 0.64 0.25 0.20 0.64 0.00 0.00 175.55 178.08 2vg3 s GLY 196 N -0.99 -0.12 0.09 8.97 0.00 -1.26 -1.76 107.32 112.24 2vg3 s GLY 196 Ca 0.22 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.63 2vg3 s GLY 196 CO 0.12 1.55 1.67 -1.33 0.00 0.00 0.00 173.10 175.11 2vg3 h GLY 197 N 7.66 -0.43 0.60 0.20 0.00 -1.09 0.16 103.07 110.17 2vg3 h GLY 197 Ca -0.29 0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.33 2vg3 h GLY 197 CO 0.27 -0.18 0.56 3.21 0.00 0.00 0.00 176.54 180.40 2vg3 h ARG 198 N -0.43 0.93 -0.52 4.80 3.08 -1.98 -2.32 114.38 117.93 2vg3 h ARG 198 Ca -0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2vg3 h ARG 198 Cb 0.38 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2vg3 h ARG 198 CO -0.00 0.61 -0.00 1.15 -1.07 0.00 0.00 179.97 180.65 2vg3 h THR 199 N 0.95 1.25 -0.39 2.04 2.02 -1.75 -0.54 112.91 116.50 2vg3 h THR 199 Ca 0.42 -1.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 2vg3 h THR 199 Cb 0.31 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2vg3 h THR 199 CO -0.22 0.38 -0.36 -0.08 0.37 0.00 0.00 175.52 175.60 2vg3 h GLU 200 N 0.81 0.91 -0.63 6.66 4.81 -0.45 -0.14 114.58 126.56 2vg3 h GLU 200 Ca 0.15 -0.47 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2vg3 h GLU 200 Cb 0.49 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2vg3 h GLU 200 CO 0.02 1.12 0.15 0.82 -0.73 0.00 0.00 179.01 180.39 2vg3 h ILE 201 N 0.75 1.26 -0.72 2.32 2.04 -1.28 -1.99 117.51 119.89 2vg3 h ILE 201 Ca 0.07 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2vg3 h ILE 201 Cb 0.95 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2vg3 h ILE 201 CO 0.09 0.35 0.31 0.74 0.00 0.00 0.00 178.15 179.64 2vg3 h THR 202 N 0.94 1.24 -0.62 -0.27 2.02 -0.68 -0.77 112.91 114.77 2vg3 h THR 202 Ca 0.20 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 2vg3 h THR 202 Cb 0.36 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2vg3 h THR 202 CO 0.00 0.30 0.09 -0.08 0.37 0.00 0.00 175.52 176.20 2vg3 h GLU 203 N 1.01 1.02 -0.68 6.66 4.57 -0.82 0.71 114.58 127.05 2vg3 h GLU 203 Ca 0.24 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2vg3 h GLU 203 Cb 0.17 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2vg3 h GLU 203 CO -0.02 0.95 0.45 0.00 -1.18 0.00 0.00 179.01 179.20 2vg3 h ALA 204 N 1.13 0.87 -0.71 2.92 0.00 -1.00 -1.61 119.26 120.86 2vg3 h ALA 204 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2vg3 h ALA 204 Cb 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2vg3 h ALA 204 CO 0.01 0.28 0.22 1.15 0.00 0.00 0.00 179.25 180.91 2vg3 h THR 205 N 0.92 1.26 -0.58 0.00 2.02 -0.48 -1.46 112.91 114.59 2vg3 h THR 205 Ca 0.25 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2vg3 h THR 205 Cb -0.09 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 2vg3 h THR 205 CO -0.06 0.35 0.37 0.03 0.37 0.00 0.00 175.52 176.58 2vg3 h ARG 206 N 1.06 0.77 -0.40 6.66 3.08 -0.42 0.17 114.38 125.30 2vg3 h ARG 206 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2vg3 h ARG 206 Cb 0.30 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2vg3 h ARG 206 CO -0.01 0.52 0.25 0.93 -1.07 0.00 0.00 179.97 180.60 2vg3 h GLU 207 N 0.78 0.53 0.03 0.04 5.08 -1.00 -0.98 114.58 119.05 2vg3 h GLU 207 Ca 0.21 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2vg3 h GLU 207 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2vg3 h GLU 207 CO -0.04 0.37 -0.06 0.82 -1.00 0.00 0.00 179.01 179.10 2vg3 h ILE 208 N 0.53 0.85 -0.88 3.13 2.04 -0.93 -2.08 117.51 120.17 2vg3 h ILE 208 Ca 0.14 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.17 2vg3 h ILE 208 Cb -0.03 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 2vg3 h ILE 208 CO -0.03 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.58 2vg3 h ALA 209 N 0.85 1.37 -0.69 1.87 0.00 -0.39 -1.43 119.26 120.83 2vg3 h ALA 209 Ca 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2vg3 h ALA 209 Cb 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2vg3 h ALA 209 CO -0.04 -0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.34 2vg3 h ARG 210 N 0.61 1.04 -0.66 0.00 3.08 -0.60 -0.50 114.38 117.36 2vg3 h ARG 210 Ca 0.50 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 2vg3 h ARG 210 Cb 0.76 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2vg3 h ARG 210 CO -0.39 0.88 0.17 0.93 -1.07 0.00 0.00 179.97 180.48 2vg3 h GLU 211 N 0.99 1.04 -0.28 0.04 4.39 -0.70 -1.22 114.58 118.84 2vg3 h GLU 211 Ca 0.23 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2vg3 h GLU 211 Cb 0.24 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2vg3 h GLU 211 CO -0.02 0.93 0.15 0.28 -1.16 0.00 0.00 179.01 179.19 2vg3 h VAL 212 N 0.97 1.14 -0.36 3.13 2.07 -1.09 0.83 116.25 122.94 2vg3 h VAL 212 Ca 0.21 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2vg3 h VAL 212 Cb 0.35 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2vg3 h VAL 212 CO 0.00 0.14 0.24 0.00 0.02 0.00 0.00 177.57 177.97 2vg3 h ALA 213 N 1.01 1.78 -0.00 1.67 0.00 -0.83 -1.66 119.26 121.23 2vg3 h ALA 213 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2vg3 h ALA 213 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vg3 h ALA 213 CO -0.01 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 2vg3 n ALA 214 N -2.49 2.64 -1.02 0.00 0.00 -0.48 -4.91 120.51 114.25 2vg3 n ALA 214 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 2vg3 n ALA 214 Cb 0.09 -1.51 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.08 0.46 0.67 0.00 0.00 -0.62 -4.93 105.19 101.84 2vg3 n GLY 215 Ca 0.21 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.48 1.67 -3.71 1.61 1.74 0.27 -4.88 116.66 110.88 2vg3 n ARG 216 Ca -0.01 -1.34 -0.15 0.00 -0.77 0.00 0.00 57.85 55.59 2vg3 n ARG 216 Cb 0.08 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.25 0.32 -0.19 0.55 2.96 -1.12 -4.90 118.68 114.04 2vg3 s LEU 217 Ca 0.24 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2vg3 s LEU 217 Cb 0.19 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.27 2vg3 s LEU 217 CO 0.44 -0.19 1.23 0.21 -1.32 0.00 0.00 176.35 176.72 2vg3 s ASN 218 N 1.69 6.94 0.43 3.68 3.84 -1.26 -4.35 114.94 125.91 2vg3 s ASN 218 Ca -0.04 1.61 0.22 0.00 0.21 0.00 0.00 52.86 54.85 2vg3 s ASN 218 Cb -0.12 -2.54 1.18 0.00 -0.55 0.00 0.00 41.25 39.23 2vg3 s ASN 218 CO -0.06 -0.77 1.80 -0.65 -2.79 0.00 0.00 177.10 174.62 2vg3 h PRO 219 N 8.18 0.31 0.00 0.43 0.11 -1.99 -0.69 132.00 138.35 2vg3 h PRO 219 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2vg3 h PRO 219 Cb 1.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2vg3 h PRO 219 CO 0.98 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 179.36 2vg3 n GLU 220 N -4.52 0.17 -0.16 1.05 -0.58 -1.26 -2.33 120.64 113.01 2vg3 n GLU 220 Ca 0.24 0.43 0.11 0.00 -0.42 0.00 0.00 57.16 57.52 2vg3 n GLU 220 Cb 0.90 -1.85 0.19 0.00 -0.57 0.00 0.00 31.44 30.11 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 -2.17 2.38 -2.25 3.49 5.12 -0.26 -4.92 116.66 118.05 2vg3 n ARG 221 Ca 0.02 -2.18 -0.42 0.00 -1.93 0.00 0.00 57.85 53.34 2vg3 n ARG 221 Cb 0.20 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 2vg3 n ARG 221 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2vg3 s ILE 222 N -1.46 3.80 0.40 0.55 1.01 -0.99 -4.95 121.20 119.57 2vg3 s ILE 222 Ca 0.35 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.19 2vg3 s ILE 222 Cb 0.21 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2vg3 s ILE 222 CO 0.29 -0.01 0.08 0.42 0.00 0.00 0.00 174.94 175.72 2vg3 s THR 223 N 2.52 0.96 0.31 2.92 -4.23 -1.26 -4.99 115.64 111.87 2vg3 s THR 223 Ca 0.63 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2vg3 s THR 223 Cb -0.30 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.35 2vg3 s THR 223 CO 0.25 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.84 2vg3 h GLU 224 N 1.80 0.84 -0.33 3.99 5.08 -2.00 0.44 114.58 124.39 2vg3 h GLU 224 Ca -0.39 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2vg3 h GLU 224 Cb 1.27 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2vg3 h GLU 224 CO 0.65 0.56 0.16 0.77 -1.00 0.00 0.00 179.01 180.14 2vg3 h SER 225 N 0.86 0.40 -0.60 1.42 0.02 -1.99 -1.64 113.55 112.04 2vg3 h SER 225 Ca 0.50 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2vg3 h SER 225 Cb 0.65 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2vg3 h SER 225 CO -0.27 0.35 0.37 0.74 -1.14 0.00 0.00 176.83 176.87 2vg3 h THR 226 N 0.46 1.17 -0.16 -2.27 2.02 -1.28 -1.07 112.91 111.78 2vg3 h THR 226 Ca 0.12 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2vg3 h THR 226 Cb 0.06 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2vg3 h THR 226 CO -0.02 0.18 0.03 0.40 0.37 0.00 0.00 175.52 176.48 2vg3 h ILE 227 N 0.81 1.22 -0.89 3.11 2.04 -1.10 -2.93 117.51 119.77 2vg3 h ILE 227 Ca 0.22 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2vg3 h ILE 227 Cb -0.03 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2vg3 h ILE 227 CO -0.04 0.21 0.56 0.00 0.00 0.00 0.00 178.15 178.88 2vg3 h ALA 228 N 0.81 1.22 0.00 1.87 0.00 -1.10 -1.31 119.26 120.75 2vg3 h ALA 228 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vg3 h ALA 228 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vg3 h ALA 228 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2vg3 h ARG 229 N 1.02 0.00 -0.13 0.00 3.08 -1.15 -3.04 114.38 114.17 2vg3 h ARG 229 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2vg3 h ARG 229 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2vg3 h ARG 229 CO -0.17 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.45 2vg3 n HIS 230 N -2.64 0.16 -1.58 3.04 8.25 -0.53 -4.76 115.22 117.15 2vg3 n HIS 230 Ca 0.01 -0.13 -0.34 0.00 -0.26 0.00 0.00 57.72 57.01 2vg3 n HIS 230 Cb 0.27 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.14 3.34 0.26 2.41 1.43 -0.98 -4.19 118.68 119.83 2vg3 s LEU 231 Ca 0.20 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.47 2vg3 s LEU 231 Cb 0.13 -4.57 0.56 0.00 0.03 0.00 0.00 46.19 42.34 2vg3 s LEU 231 CO 0.19 -1.96 1.73 -0.61 0.23 0.00 0.00 176.35 175.92 2vg3 h GLN 232 N -0.16 0.47 -2.88 1.70 4.15 -1.90 -3.21 115.11 113.29 2vg3 h GLN 232 Ca -0.47 -0.03 -0.61 0.00 0.77 0.00 0.00 58.65 58.31 2vg3 h GLN 232 Cb 1.27 -0.11 -0.41 0.00 0.21 0.00 0.00 27.48 28.44 2vg3 h GLN 232 CO 0.52 0.31 -0.69 1.03 -1.93 0.00 0.00 178.83 178.07 2vg3 s ARG 233 N -5.96 2.01 0.18 1.69 1.81 -1.26 -4.98 118.95 112.44 2vg3 s ARG 233 Ca -0.12 -2.98 0.16 0.00 -1.72 0.00 0.00 55.73 51.06 2vg3 s ARG 233 Cb 0.22 -2.84 0.76 0.00 -0.45 0.00 0.00 34.95 32.65 2vg3 s ARG 233 CO 0.77 -1.31 1.48 -2.30 -0.68 0.00 0.00 175.30 173.25 2vg3 n PRO 234 N 2.23 0.10 0.00 3.54 -0.02 -1.22 -2.38 135.00 137.25 2vg3 n PRO 234 Ca 0.23 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 2vg3 n PRO 234 Cb 0.39 -1.76 0.62 0.00 -0.02 0.00 0.00 33.50 32.72 2vg3 n PRO 234 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2vg3 n ASP 235 N -1.96 0.36 -4.65 2.55 5.75 -1.26 -4.84 116.55 112.49 2vg3 n ASP 235 Ca 0.00 -0.42 -0.43 0.00 -0.01 0.00 0.00 54.79 53.94 2vg3 n ASP 235 Cb 0.08 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 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 -2.55 3.74 0.85 2.12 1.01 -1.00 -5.00 121.20 120.37 2vg3 s ILE 236 Ca 0.27 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 2vg3 s ILE 236 Cb 0.20 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 39.13 2vg3 s ILE 236 CO 0.49 -0.16 1.12 -2.16 0.00 0.00 0.00 174.94 174.22 2vg3 s PRO 237 N 4.21 1.65 0.54 2.79 0.04 -1.26 -4.99 135.00 137.98 2vg3 s PRO 237 Ca 0.70 0.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 2vg3 s PRO 237 Cb -0.28 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 2vg3 s PRO 237 CO 0.27 -1.88 0.92 -0.25 0.04 0.00 0.00 177.00 176.09 2vg3 n ASP 238 N -3.58 0.68 -4.70 6.66 8.00 -1.26 -4.93 116.55 117.42 2vg3 n ASP 238 Ca 0.07 0.87 -0.42 0.00 0.71 0.00 0.00 54.79 56.01 2vg3 n ASP 238 Cb 0.58 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 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 -1.47 4.57 -0.20 2.53 1.01 -0.73 -4.52 120.40 121.58 2vg3 s VAL 239 Ca 0.71 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 64.38 2vg3 s VAL 239 Cb -0.46 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 31.53 2vg3 s VAL 239 CO 0.51 0.06 0.16 0.47 0.00 0.00 0.00 175.10 176.30 2vg3 n ASP 240 N 4.63 1.95 -4.10 3.32 8.00 -0.18 -3.60 116.55 126.58 2vg3 n ASP 240 Ca 0.09 0.33 -0.32 0.00 0.71 0.00 0.00 54.79 55.59 2vg3 n ASP 240 Cb 0.48 -0.89 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 2vg3 n ASP 240 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2vg3 s LEU 241 N -7.54 2.34 -0.33 0.64 2.96 -1.02 -0.87 118.68 114.86 2vg3 s LEU 241 Ca -0.29 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 52.76 2vg3 s LEU 241 Cb 0.07 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.33 2vg3 s LEU 241 CO 0.63 -0.05 0.12 0.12 -1.32 0.00 0.00 176.35 175.85 2vg3 s PHE 242 N 1.28 3.20 -0.05 5.38 5.36 0.61 -1.02 117.98 132.74 2vg3 s PHE 242 Ca 0.02 -1.08 0.00 0.00 -0.96 0.00 0.00 56.93 54.91 2vg3 s PHE 242 Cb -0.14 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 2vg3 s PHE 242 CO -0.11 -0.63 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.49 2vg3 s LEU 243 N 1.49 3.42 -0.04 6.12 1.43 0.66 -1.31 118.68 130.45 2vg3 s LEU 243 Ca 0.01 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2vg3 s LEU 243 Cb -0.18 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2vg3 s LEU 243 CO 0.04 0.34 0.08 -0.60 0.23 0.00 0.00 176.35 176.44 2vg3 s ARG 244 N -1.07 0.04 0.75 1.70 3.52 -1.02 -0.67 118.95 122.20 2vg3 s ARG 244 Ca 0.15 0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.94 2vg3 s ARG 244 Cb -0.11 -0.15 0.13 0.00 -1.56 0.00 0.00 34.95 33.26 2vg3 s ARG 244 CO 0.04 -0.13 1.04 0.95 -0.81 0.00 0.00 175.30 176.40 2vg3 s THR 245 N 0.84 2.16 0.00 4.11 -4.23 -1.15 -1.81 115.64 115.56 2vg3 s THR 245 Ca -0.07 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2vg3 s THR 245 Cb -0.09 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2vg3 s THR 245 CO -0.03 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 2vg3 n SER 246 N -2.97 -3.71 0.00 3.99 3.41 0.40 -3.76 113.62 110.98 2vg3 n SER 246 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2vg3 n SER 246 Cb 0.60 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 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 -1.44 0.35 3.65 5.00 0.00 -0.25 -4.86 105.19 107.64 2vg3 n GLY 247 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.75 4.18 -1.12 1.61 0.41 -1.25 -4.96 118.70 116.82 2vg3 s GLU 248 Ca 0.00 1.40 -0.06 0.00 -0.41 0.00 0.00 54.97 55.90 2vg3 s GLU 248 Cb 0.00 -3.73 0.28 0.00 -1.78 0.00 0.00 34.13 28.90 2vg3 s GLU 248 CO 0.00 -0.76 1.48 1.04 -0.49 0.00 0.00 175.26 176.54 2vg3 n GLN 249 N 6.63 4.16 -3.76 1.61 6.02 -1.26 -4.84 117.38 125.93 2vg3 n GLN 249 Ca 0.13 -4.36 -0.13 0.00 -0.01 0.00 0.00 57.00 52.63 2vg3 n GLN 249 Cb 0.46 -2.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.01 2vg3 n GLN 249 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2vg3 s ARG 250 N -1.90 0.45 0.22 -1.09 0.52 -1.26 -5.04 118.95 110.84 2vg3 s ARG 250 Ca 0.33 0.29 0.20 0.00 -0.52 0.00 0.00 55.73 56.03 2vg3 s ARG 250 Cb 0.03 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.74 2vg3 s ARG 250 CO 0.06 -0.08 1.16 0.66 0.02 0.00 0.00 175.30 177.12 2vg3 h SER 251 N 5.21 0.00 -6.45 0.23 4.64 -1.96 -3.49 113.55 111.74 2vg3 h SER 251 Ca -0.27 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.56 2vg3 h SER 251 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2vg3 h SER 251 CO 0.32 0.25 -0.87 -1.20 -0.87 0.00 0.00 176.83 174.47 2vg3 n SER 252 N -2.91 -0.94 -0.94 4.97 7.64 -1.26 -2.04 113.62 118.14 2vg3 n SER 252 Ca -0.02 -0.97 -0.12 0.00 1.01 0.00 0.00 58.87 58.77 2vg3 n SER 252 Cb 0.66 -3.22 -0.05 0.00 -1.01 0.00 0.00 64.21 60.59 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 -2.96 -4.63 -4.73 6.43 5.15 -1.26 -4.91 115.26 108.34 2vg3 n ASN 253 Ca -0.26 0.30 -0.38 0.00 -0.60 0.00 0.00 54.58 53.65 2vg3 n ASN 253 Cb 0.66 -3.21 -0.06 0.00 -0.53 0.00 0.00 39.78 36.63 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 -2.40 3.53 -1.49 1.20 5.36 -0.86 -0.41 117.98 122.90 2vg3 s PHE 254 Ca 0.00 0.88 -0.05 0.00 -0.96 0.00 0.00 56.93 56.80 2vg3 s PHE 254 Cb 0.00 -2.52 0.04 0.00 -0.34 0.00 0.00 43.02 40.20 2vg3 s PHE 254 CO 0.00 0.21 0.51 -1.33 -1.46 0.00 0.00 175.22 173.15 2vg3 n MET 255 N 3.52 -3.27 0.31 10.12 2.81 -1.26 -4.82 117.12 124.53 2vg3 n MET 255 Ca -0.08 0.39 -0.17 0.00 -1.81 0.00 0.00 57.70 56.04 2vg3 n MET 255 Cb 0.52 -4.67 -0.08 0.00 -0.71 0.00 0.00 33.22 28.28 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 -1.77 -0.81 -0.62 4.03 5.85 -1.87 0.13 115.31 120.26 2vg3 h LEU 256 Ca -0.62 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2vg3 h LEU 256 Cb 1.38 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 2vg3 h LEU 256 CO 0.67 -0.52 0.41 -0.25 -0.34 0.00 0.00 178.44 178.41 2vg3 h TRP 257 N -0.82 0.77 0.00 1.25 2.91 -1.89 -3.21 115.95 114.96 2vg3 h TRP 257 Ca -0.07 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.86 2vg3 h TRP 257 Cb 0.66 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 2vg3 h TRP 257 CO -0.09 0.48 -0.52 1.96 -1.03 0.00 0.00 178.44 179.24 2vg3 h GLN 258 N 0.83 0.00 -0.68 2.65 7.50 -1.84 -3.26 115.11 120.32 2vg3 h GLN 258 Ca 0.23 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 2vg3 h GLN 258 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.45 2vg3 h GLN 258 CO -0.06 0.52 0.00 0.00 -1.50 0.00 0.00 178.83 177.79 2vg3 n ALA 259 N -2.34 2.95 -0.31 3.87 0.00 0.43 -1.77 120.51 123.34 2vg3 n ALA 259 Ca -0.00 -1.50 0.24 0.00 0.00 0.00 0.00 53.44 52.18 2vg3 n ALA 259 Cb 0.60 -1.01 0.55 0.00 0.00 0.00 0.00 19.45 19.58 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 4.19 2.36 -0.03 0.00 0.00 -1.65 -1.37 119.26 122.76 2vg3 h ALA 260 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vg3 h ALA 260 Cb 1.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2vg3 h ALA 260 CO 0.18 -0.73 -0.05 0.66 0.00 0.00 0.00 179.25 179.31 2vg3 n TYR 261 N -4.55 0.10 -2.00 0.00 4.01 -1.26 -5.05 117.16 108.41 2vg3 n TYR 261 Ca 0.24 -1.05 -0.38 0.00 -0.16 0.00 0.00 57.90 56.55 2vg3 n TYR 261 Cb 0.90 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.77 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 -2.92 2.95 -0.07 -0.72 0.00 -0.52 -4.95 121.76 115.54 2vg3 s ALA 262 Ca 0.34 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 2vg3 s ALA 262 Cb 0.30 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2vg3 s ALA 262 CO 0.02 -1.02 1.03 -1.21 0.00 0.00 0.00 175.76 174.59 2vg3 s GLU 263 N -2.72 4.44 -0.07 0.00 0.41 -0.05 -4.91 118.70 115.81 2vg3 s GLU 263 Ca 0.66 1.45 -0.15 0.00 -0.41 0.00 0.00 54.97 56.52 2vg3 s GLU 263 Cb -0.36 -3.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.42 2vg3 s GLU 263 CO 0.43 -0.27 0.39 0.71 -0.49 0.00 0.00 175.26 176.03 2vg3 s TYR 264 N 1.78 3.62 -0.09 1.61 2.02 -1.26 -0.28 117.35 124.75 2vg3 s TYR 264 Ca 0.50 0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 58.07 2vg3 s TYR 264 Cb -0.20 -2.34 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2vg3 s TYR 264 CO 0.21 0.46 -0.05 0.42 -1.57 0.00 0.00 175.55 175.01 2vg3 s ILE 265 N -0.37 0.79 -0.32 2.71 1.01 -0.42 -4.95 121.20 119.65 2vg3 s ILE 265 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2vg3 s ILE 265 Cb -0.15 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.52 2vg3 s ILE 265 CO 0.10 0.32 0.04 -0.36 0.00 0.00 0.00 174.94 175.04 2vg3 s PHE 266 N 1.59 3.26 -0.09 3.97 0.08 -1.26 -2.45 117.98 123.09 2vg3 s PHE 266 Ca 0.01 -1.70 -0.08 0.00 0.12 0.00 0.00 56.93 55.28 2vg3 s PHE 266 Cb -0.13 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2vg3 s PHE 266 CO -0.05 -0.78 0.19 -0.65 -0.10 0.00 0.00 175.22 173.83 2vg3 s GLN 267 N 1.31 3.52 0.25 0.44 -0.21 -0.75 -4.84 119.66 119.38 2vg3 s GLN 267 Ca -0.04 -0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.35 2vg3 s GLN 267 Cb -0.20 -3.18 0.29 0.00 1.00 0.00 0.00 33.01 30.92 2vg3 s GLN 267 CO 0.00 0.75 1.58 -0.44 -2.12 0.00 0.00 175.29 175.07 2vg3 h ASP 268 N 4.83 0.24 -4.08 5.90 3.32 -1.89 -0.39 116.42 124.35 2vg3 h ASP 268 Ca -0.54 -0.13 -0.52 0.00 0.02 0.00 0.00 57.03 55.86 2vg3 h ASP 268 Cb 1.22 -0.07 0.10 0.00 0.22 0.00 0.00 39.33 40.81 2vg3 h ASP 268 CO 0.59 0.77 0.48 -1.59 -1.72 0.00 0.00 179.24 177.77 2vg3 s LYS 269 N -3.79 3.19 0.38 3.56 -2.85 -1.26 -2.98 119.74 115.98 2vg3 s LYS 269 Ca -0.04 1.81 -0.25 0.00 -1.00 0.00 0.00 55.97 56.50 2vg3 s LYS 269 Cb 0.12 -2.05 -0.09 0.00 -2.06 0.00 0.00 37.83 33.76 2vg3 s LYS 269 CO 0.79 -1.03 1.04 -0.51 0.10 0.00 0.00 175.35 175.74 2vg3 s LEU 270 N -3.81 4.20 0.20 2.77 1.43 -1.26 -0.45 118.68 121.76 2vg3 s LEU 270 Ca 0.74 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 2vg3 s LEU 270 Cb -0.30 -4.12 0.23 0.00 0.03 0.00 0.00 46.19 42.04 2vg3 s LEU 270 CO 0.33 -0.40 1.69 -0.25 0.23 0.00 0.00 176.35 177.95 2vg3 h TRP 271 N 2.70 0.04 0.00 0.29 2.91 -1.33 -0.90 115.95 119.65 2vg3 h TRP 271 Ca -0.48 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.58 2vg3 h TRP 271 Cb 1.21 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2vg3 h TRP 271 CO 0.58 -0.09 0.00 -1.35 -1.03 0.00 0.00 178.44 176.55 2vg3 h PRO 272 N 0.16 0.00 -0.01 2.65 0.11 -1.86 -0.04 132.00 133.01 2vg3 h PRO 272 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2vg3 h PRO 272 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2vg3 h PRO 272 CO -0.42 0.00 -0.40 -0.25 -0.21 0.00 0.00 178.00 176.72 2vg3 n ASP 273 N -2.50 1.28 -4.78 -2.05 8.00 -0.35 -4.91 116.55 111.23 2vg3 n ASP 273 Ca -0.02 -1.03 -0.36 0.00 0.71 0.00 0.00 54.79 54.09 2vg3 n ASP 273 Cb 0.05 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.58 3.54 0.29 1.24 5.04 -0.03 -4.98 117.35 119.87 2vg3 s TYR 274 Ca 0.20 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.56 2vg3 s TYR 274 Cb 0.18 -2.98 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 2vg3 s TYR 274 CO 0.58 -0.06 0.32 0.16 -1.34 0.00 0.00 175.55 175.21 2vg3 s ASP 275 N -1.64 0.88 0.55 4.32 1.47 -1.26 -4.85 116.67 116.14 2vg3 s ASP 275 Ca 0.53 -1.50 0.24 0.00 1.18 0.00 0.00 52.55 53.00 2vg3 s ASP 275 Cb -0.19 0.54 1.50 0.00 -0.34 0.00 0.00 42.92 44.44 2vg3 s ASP 275 CO 0.24 -1.08 2.12 0.08 0.68 0.00 0.00 175.17 177.21 2vg3 h ARG 276 N 2.27 0.00 0.00 2.11 0.11 -1.91 -0.76 114.38 116.20 2vg3 h ARG 276 Ca -0.29 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.76 2vg3 h ARG 276 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2vg3 h ARG 276 CO 0.41 0.00 -0.15 0.00 0.10 0.00 0.00 179.97 180.34 2vg3 h ARG 277 N 0.00 0.00 -0.05 0.08 3.08 -1.97 -1.35 114.38 114.18 2vg3 h ARG 277 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.88 2vg3 h ARG 277 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.41 2vg3 h ARG 277 CO -0.00 0.15 -0.92 -0.44 -1.07 0.00 0.00 179.97 177.69 2vg3 h ASP 278 N 0.00 0.88 -0.24 7.04 3.32 -1.55 -1.90 116.42 123.98 2vg3 h ASP 278 Ca -0.00 -0.71 0.06 0.00 0.02 0.00 0.00 57.03 56.40 2vg3 h ASP 278 Cb 0.28 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2vg3 h ASP 278 CO 0.02 1.47 -0.15 0.25 -1.72 0.00 0.00 179.24 179.10 2vg3 h LEU 279 N 0.38 -0.50 -0.97 1.55 5.85 -1.43 -1.58 115.31 118.61 2vg3 h LEU 279 Ca -0.10 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2vg3 h LEU 279 Cb 1.57 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.80 2vg3 h LEU 279 CO 0.18 -0.19 0.63 -0.50 -0.34 0.00 0.00 178.44 178.22 2vg3 h TRP 280 N -0.14 1.17 -0.74 1.25 6.55 -1.18 -0.86 115.95 122.02 2vg3 h TRP 280 Ca 0.13 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 2vg3 h TRP 280 Cb 0.34 -0.39 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 2vg3 h TRP 280 CO -0.32 0.65 0.23 0.00 -1.05 0.00 0.00 178.44 177.95 2vg3 h ALA 281 N 1.42 1.03 -0.65 1.49 0.00 -0.99 -0.85 119.26 120.70 2vg3 h ALA 281 Ca 0.40 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2vg3 h ALA 281 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2vg3 h ALA 281 CO -0.15 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.90 2vg3 h ALA 282 N 1.16 0.85 -0.31 0.00 0.00 -0.35 -1.58 119.26 119.03 2vg3 h ALA 282 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2vg3 h ALA 282 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2vg3 h ALA 282 CO -0.01 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 2vg3 h GLU 284 N 0.53 0.84 -0.17 0.00 5.08 -1.00 -0.17 114.58 119.69 2vg3 h GLU 284 Ca 0.08 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2vg3 h GLU 284 Cb 0.69 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2vg3 h GLU 284 CO 0.05 0.64 0.09 1.49 -1.00 0.00 0.00 179.01 180.27 2vg3 h GLU 285 N 0.81 0.18 -0.67 2.33 4.81 -0.74 -2.03 114.58 119.28 2vg3 h GLU 285 Ca 0.21 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 2vg3 h GLU 285 Cb 0.04 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 2vg3 h GLU 285 CO -0.03 0.12 0.20 -0.92 -0.73 0.00 0.00 179.01 177.64 2vg3 h TYR 286 N 0.18 0.33 -0.89 0.92 3.20 -0.58 -1.72 116.97 118.41 2vg3 h TYR 286 Ca 0.07 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.13 2vg3 h TYR 286 Cb 0.01 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 2vg3 h TYR 286 CO -0.09 0.00 0.57 0.00 -1.64 0.00 0.00 178.16 177.01 2vg3 h ALA 287 N 1.52 1.93 0.00 1.82 0.00 -0.30 -1.50 119.26 122.73 2vg3 h ALA 287 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2vg3 h ALA 287 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2vg3 h ALA 287 CO -0.41 -0.19 -0.11 0.66 0.00 0.00 0.00 179.25 179.20 2vg3 h SER 288 N 0.61 0.00 -3.87 0.00 4.64 -0.99 -3.46 113.55 110.48 2vg3 h SER 288 Ca 0.45 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.26 2vg3 h SER 288 Cb 0.84 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.98 2vg3 h SER 288 CO -0.20 0.11 0.55 -0.13 -0.87 0.00 0.00 176.83 176.29 2vg3 s ARG 289 N -3.32 4.39 -0.25 4.77 1.81 -0.57 -5.03 118.95 120.75 2vg3 s ARG 289 Ca 0.04 1.99 -0.08 0.00 -1.72 0.00 0.00 55.73 55.97 2vg3 s ARG 289 Cb 0.07 -3.02 -0.03 0.00 -0.45 0.00 0.00 34.95 31.51 2vg3 s ARG 289 CO 0.65 -0.08 0.08 0.99 -0.68 0.00 0.00 175.30 176.26 2vg3 s THR 290 N -1.21 4.39 -0.13 0.02 2.01 -1.26 -5.04 115.64 114.43 2vg3 s THR 290 Ca 0.49 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 2vg3 s THR 290 Cb -0.35 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2vg3 s THR 290 CO 0.46 0.34 0.11 -0.13 -0.69 0.00 0.00 174.62 174.71 2vg3 s ARG 291 N 1.56 3.46 -0.00 4.92 0.52 -1.26 -5.01 118.95 123.15 2vg3 s ARG 291 Ca 0.06 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2vg3 s ARG 291 Cb -0.15 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2vg3 s ARG 291 CO 0.04 0.69 0.03 0.54 0.02 0.00 0.00 175.30 176.62 2vg3 n ARG 292 N 2.25 0.05 -4.16 3.54 1.74 -1.26 -5.03 116.66 113.79 2vg3 n ARG 292 Ca -0.19 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.53 2vg3 n ARG 292 Cb 0.54 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 2vg3 n ARG 292 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2vg3 n PHE 293 N -1.55 -1.76 0.00 -1.55 3.72 -1.26 -1.59 117.46 113.46 2vg3 n PHE 293 Ca -0.00 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.19 2vg3 n PHE 293 Cb 0.04 -3.16 0.00 0.00 -0.94 0.00 0.00 39.48 35.42 2vg3 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vg3 n GLY 294 N -1.54 2.37 3.84 1.37 0.00 -1.26 -5.06 105.19 104.92 2vg3 n GLY 294 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2vg3 n GLY 294 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vg3 s SER 295 N -1.73 5.37 0.00 1.61 1.04 -0.62 -5.32 113.70 114.05 2vg3 s SER 295 Ca 0.00 1.36 0.21 0.00 0.48 0.00 0.00 55.95 58.00 2vg3 s SER 295 Cb 0.00 -2.22 1.25 0.00 0.10 0.00 0.00 66.02 65.15 2vg3 s SER 295 CO 0.00 -1.42 1.63 0.00 0.98 0.00 0.00 173.24 174.43