#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vm3 n ASP 4 N 0.00 0.40 0.09 0.00 8.00 -1.26 -2.45 116.55 121.33 2vm3 n ASP 4 Ca 0.00 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.21 2vm3 n ASP 4 Cb 0.00 -0.67 0.28 0.00 -0.02 0.00 0.00 41.12 40.71 2vm3 n ASP 4 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2vm3 n LYS 5 N -1.93 0.29 -2.99 -1.24 5.02 -1.26 -4.97 118.16 111.07 2vm3 n LYS 5 Ca 0.04 0.16 -0.32 0.00 -2.02 0.00 0.00 58.31 56.16 2vm3 n LYS 5 Cb 0.25 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2vm3 n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vm3 s LEU 6 N -4.42 3.98 0.45 -0.35 1.43 -1.03 -5.05 118.68 113.69 2vm3 s LEU 6 Ca 0.08 1.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.29 2vm3 s LEU 6 Cb 0.13 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.08 2vm3 s LEU 6 CO 0.66 -0.29 1.38 -2.84 0.23 0.00 0.00 176.35 175.50 2vm3 s PRO 7 N -3.21 3.71 0.01 1.29 0.02 -1.26 -4.74 135.00 130.82 2vm3 s PRO 7 Ca 0.56 2.32 -0.05 0.00 0.02 0.00 0.00 61.00 63.85 2vm3 s PRO 7 Cb -0.10 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 2vm3 s PRO 7 CO 0.19 -0.76 0.24 -1.01 -0.33 0.00 0.00 177.00 175.33 2vm3 s HIS 8 N -1.23 3.56 0.12 6.54 3.76 -1.26 -1.53 115.29 125.24 2vm3 s HIS 8 Ca 0.61 0.48 0.06 0.00 -0.15 0.00 0.00 55.06 56.05 2vm3 s HIS 8 Cb -0.42 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2vm3 s HIS 8 CO 0.53 0.62 -0.14 -0.08 -0.85 0.00 0.00 174.74 174.82 2vm3 s THR 9 N -1.33 1.33 -0.19 1.30 -1.32 0.32 -4.93 115.64 110.82 2vm3 s THR 9 Ca 0.28 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 2vm3 s THR 9 Cb -0.13 -1.50 0.02 0.00 -1.51 0.00 0.00 72.50 69.38 2vm3 s THR 9 CO 0.18 -0.39 -0.18 -0.54 -2.21 0.00 0.00 174.62 171.48 2vm3 s LYS 10 N -2.58 3.01 -0.17 7.08 1.02 -1.26 -0.20 119.74 126.63 2vm3 s LYS 10 Ca 0.08 -0.82 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2vm3 s LYS 10 Cb -0.05 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 2vm3 s LYS 10 CO 0.03 -0.22 0.01 0.08 -0.92 0.00 0.00 175.35 174.33 2vm3 s VAL 11 N 1.31 4.31 -0.25 3.17 1.01 -0.57 -4.96 120.40 124.42 2vm3 s VAL 11 Ca 0.05 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 2vm3 s VAL 11 Cb -0.13 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2vm3 s VAL 11 CO -0.12 0.47 0.61 -0.89 0.00 0.00 0.00 175.10 175.18 2vm3 s THR 12 N 0.44 5.00 0.53 3.92 2.01 -1.26 -4.69 115.64 121.58 2vm3 s THR 12 Ca -0.00 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.93 2vm3 s THR 12 Cb -0.13 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 2vm3 s THR 12 CO 0.02 0.04 1.00 -0.76 -0.69 0.00 0.00 174.62 174.23 2vm3 s LEU 13 N 2.45 3.60 0.18 4.42 1.43 -1.26 -4.84 118.68 124.66 2vm3 s LEU 13 Ca 0.26 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2vm3 s LEU 13 Cb -0.16 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 2vm3 s LEU 13 CO 0.09 -0.73 -0.18 0.68 0.23 0.00 0.00 176.35 176.44 2vm3 s VAL 14 N -2.56 1.83 0.23 -1.59 -7.23 -1.26 -5.01 120.40 104.81 2vm3 s VAL 14 Ca 0.60 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 2vm3 s VAL 14 Cb -0.11 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 2vm3 s VAL 14 CO 0.32 -0.38 1.20 0.00 -0.31 0.00 0.00 175.10 175.93 2vm3 s ALA 15 N -2.25 3.45 0.71 1.32 0.00 -1.26 -4.53 121.76 119.19 2vm3 s ALA 15 Ca 0.18 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2vm3 s ALA 15 Cb -0.05 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2vm3 s ALA 15 CO 0.07 -0.37 0.64 -2.30 0.00 0.00 0.00 175.76 173.80 2vm3 n PRO 16 N 1.97 0.37 -0.00 0.00 -0.02 -1.26 -2.45 135.00 133.61 2vm3 n PRO 16 Ca 0.03 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 61.81 2vm3 n PRO 16 Cb 0.44 -1.92 0.79 0.00 -0.02 0.00 0.00 33.50 32.79 2vm3 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2vm3 n PRO 17 N -0.97 1.09 -1.56 0.52 -0.04 -1.26 -5.07 135.00 127.71 2vm3 n PRO 17 Ca 0.11 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 2vm3 n PRO 17 Cb 0.50 -1.44 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2vm3 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2vm3 s GLN 18 N -1.99 2.74 -0.03 0.54 -1.52 -1.03 -0.57 119.66 117.81 2vm3 s GLN 18 Ca 0.42 0.90 0.06 0.00 -1.95 0.00 0.00 55.36 54.78 2vm3 s GLN 18 Cb 0.19 -1.97 -0.01 0.00 -0.22 0.00 0.00 33.01 31.00 2vm3 s GLN 18 CO 0.32 -1.22 -0.21 0.08 -0.25 0.00 0.00 175.29 174.01 2vm3 s VAL 19 N -3.06 1.68 0.46 1.09 1.01 -1.26 -4.65 120.40 115.67 2vm3 s VAL 19 Ca 0.59 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 2vm3 s VAL 19 Cb -0.14 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 2vm3 s VAL 19 CO 0.55 0.48 1.20 0.00 0.00 0.00 0.00 175.10 177.33 2vm3 n HIS 20 N 2.77 1.84 -1.58 5.22 1.44 -1.26 -4.87 115.22 118.78 2vm3 n HIS 20 Ca -0.16 0.49 -0.48 0.00 -2.01 0.00 0.00 57.72 55.56 2vm3 n HIS 20 Cb 0.53 -2.32 -0.04 0.00 0.12 0.00 0.00 29.99 28.28 2vm3 n HIS 20 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2vm3 n PRO 21 N -0.23 1.18 -3.59 -1.40 -0.02 -1.26 -4.98 135.00 124.70 2vm3 n PRO 21 Ca 0.08 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 2vm3 n PRO 21 Cb 0.41 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2vm3 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2vm3 s HIS 22 N -0.35 -0.35 0.18 6.00 -3.43 -1.26 -5.07 115.29 111.01 2vm3 s HIS 22 Ca 0.71 0.05 -0.11 0.00 -0.80 0.00 0.00 55.06 54.90 2vm3 s HIS 22 Cb -0.83 0.52 -0.07 0.00 -1.43 0.00 0.00 32.58 30.77 2vm3 s HIS 22 CO 0.54 -0.92 0.53 -1.21 -2.00 0.00 0.00 174.74 171.67 2vm3 s GLU 23 N -3.81 3.86 0.00 -0.38 2.02 -1.26 -5.09 118.70 114.04 2vm3 s GLU 23 Ca 0.05 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.38 2vm3 s GLU 23 Cb -0.02 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.42 2vm3 s GLU 23 CO -0.07 0.41 0.00 1.04 0.02 0.00 0.00 175.26 176.66 2vm3 n GLN 24 N 0.34 0.00 -1.76 1.61 6.02 -1.26 -4.89 117.38 117.44 2vm3 n GLN 24 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 2vm3 n GLN 24 Cb 0.52 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.77 2vm3 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vm3 n ALA 25 N -3.00 2.49 -3.02 -1.58 0.00 -1.26 -4.40 120.51 109.75 2vm3 n ALA 25 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 2vm3 n ALA 25 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 2vm3 n ALA 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2vm3 s THR 26 N -0.49 0.09 -1.26 0.00 -1.32 -0.36 -4.90 115.64 107.40 2vm3 s THR 26 Ca 0.59 -0.76 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 2vm3 s THR 26 Cb -0.49 -0.30 0.08 0.00 -1.51 0.00 0.00 72.50 70.29 2vm3 s THR 26 CO 0.55 -0.42 1.44 0.29 -2.21 0.00 0.00 174.62 174.28 2vm3 n LYS 27 N 1.68 0.29 -2.21 7.08 5.02 -1.26 -4.73 118.16 124.03 2vm3 n LYS 27 Ca -0.23 -0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.49 2vm3 n LYS 27 Cb 0.56 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 2vm3 n LYS 27 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2vm3 s SER 28 N -2.83 6.90 1.00 4.39 1.04 -1.26 -5.04 113.70 117.90 2vm3 s SER 28 Ca 0.15 2.56 -0.15 0.00 0.48 0.00 0.00 55.95 58.99 2vm3 s SER 28 Cb 0.18 -2.64 0.20 0.00 0.10 0.00 0.00 66.02 63.86 2vm3 s SER 28 CO 0.65 -0.45 1.20 -0.83 0.98 0.00 0.00 173.24 174.79 2vm3 s GLY 29 N -0.46 1.65 0.50 7.32 0.00 -1.26 -5.00 107.32 110.06 2vm3 s GLY 29 Ca 0.49 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 2vm3 s GLY 29 CO 0.48 -0.17 1.04 -1.05 0.00 0.00 0.00 173.10 173.41 2vm3 n PRO 30 N -4.00 1.29 -4.21 2.90 -0.02 -1.26 -5.03 135.00 124.67 2vm3 n PRO 30 Ca 0.11 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2vm3 n PRO 30 Cb 0.59 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 2vm3 n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2vm3 s LYS 31 N -2.36 0.93 -0.47 -0.52 1.02 -1.26 -4.57 119.74 112.52 2vm3 s LYS 31 Ca 0.68 -1.38 -0.25 0.00 0.02 0.00 0.00 55.97 55.04 2vm3 s LYS 31 Cb -0.49 -0.40 0.03 0.00 -0.52 0.00 0.00 37.83 36.45 2vm3 s LYS 31 CO 0.53 0.03 0.92 0.08 -0.92 0.00 0.00 175.35 175.98 2vm3 s VAL 32 N -3.44 4.48 -0.29 3.17 1.01 -0.58 -1.00 120.40 123.75 2vm3 s VAL 32 Ca 0.14 0.68 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 2vm3 s VAL 32 Cb 0.04 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2vm3 s VAL 32 CO -0.02 -0.85 0.42 -0.69 0.00 0.00 0.00 175.10 173.96 2vm3 s VAL 33 N 3.74 5.13 -0.17 2.92 1.01 0.47 -0.52 120.40 132.97 2vm3 s VAL 33 Ca 0.36 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.73 2vm3 s VAL 33 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2vm3 s VAL 33 CO 0.26 0.05 0.27 -1.61 0.00 0.00 0.00 175.10 174.06 2vm3 s GLU 34 N 2.17 4.24 0.13 2.72 2.02 0.71 -0.68 118.70 130.02 2vm3 s GLU 34 Ca 0.16 0.04 0.06 0.00 0.02 0.00 0.00 54.97 55.26 2vm3 s GLU 34 Cb -0.16 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2vm3 s GLU 34 CO 0.11 0.23 -0.14 -0.06 0.02 0.00 0.00 175.26 175.41 2vm3 s PHE 35 N 0.50 1.47 -0.02 1.61 0.40 -0.22 -1.51 117.98 120.21 2vm3 s PHE 35 Ca 0.15 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 2vm3 s PHE 35 Cb -0.13 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 2vm3 s PHE 35 CO 0.03 0.18 -0.09 0.99 0.70 0.00 0.00 175.22 177.03 2vm3 s THR 36 N -2.22 0.76 -0.01 0.64 2.01 -1.26 -0.79 115.64 114.77 2vm3 s THR 36 Ca 0.11 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2vm3 s THR 36 Cb -0.04 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 2vm3 s THR 36 CO 0.04 0.24 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.05 2vm3 s MET 37 N 0.13 0.88 -0.19 4.92 -1.94 -0.50 -4.92 119.30 117.68 2vm3 s MET 37 Ca -0.02 -0.38 -0.02 0.00 -1.71 0.00 0.00 55.69 53.56 2vm3 s MET 37 Cb -0.08 -0.85 -0.00 0.00 2.01 0.00 0.00 34.83 35.91 2vm3 s MET 37 CO 0.00 0.23 -0.10 0.99 -0.01 0.00 0.00 175.02 176.13 2vm3 s THR 38 N -0.23 2.99 0.21 2.05 2.01 -1.26 -0.66 115.64 120.75 2vm3 s THR 38 Ca 0.04 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2vm3 s THR 38 Cb -0.04 -2.31 -0.09 0.00 0.01 0.00 0.00 72.50 70.06 2vm3 s THR 38 CO -0.00 0.48 1.29 -0.63 -0.69 0.00 0.00 174.62 175.07 2vm3 s ILE 39 N 1.13 3.22 -0.14 1.82 1.01 -0.04 -0.57 121.20 127.63 2vm3 s ILE 39 Ca 0.01 1.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 2vm3 s ILE 39 Cb -0.14 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.71 2vm3 s ILE 39 CO -0.03 0.16 -0.01 -0.70 0.00 0.00 0.00 174.94 174.36 2vm3 s GLU 40 N -0.26 0.94 0.16 2.79 2.12 -0.44 -4.47 118.70 119.54 2vm3 s GLU 40 Ca 0.55 -0.28 -0.26 0.00 0.36 0.00 0.00 54.97 55.35 2vm3 s GLU 40 Cb -0.36 -1.69 -0.08 0.00 0.26 0.00 0.00 34.13 32.26 2vm3 s GLU 40 CO 0.39 -0.44 0.80 -1.21 -0.54 0.00 0.00 175.26 174.25 2vm3 s GLU 41 N 1.81 4.60 -0.13 4.30 2.02 -1.26 -1.52 118.70 128.52 2vm3 s GLU 41 Ca 0.02 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 2vm3 s GLU 41 Cb -0.15 -3.28 0.12 0.00 0.10 0.00 0.00 34.13 30.93 2vm3 s GLU 41 CO -0.07 0.53 0.98 -1.59 0.02 0.00 0.00 175.26 175.12 2vm3 s LYS 42 N -1.01 0.64 -0.04 1.61 -2.85 -0.25 -4.99 119.74 112.85 2vm3 s LYS 42 Ca 0.37 0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 55.09 2vm3 s LYS 42 Cb -0.23 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 2vm3 s LYS 42 CO 0.27 -0.22 0.99 0.21 0.10 0.00 0.00 175.35 176.70 2vm3 s LYS 43 N -1.54 4.51 0.04 1.78 2.20 -1.26 -0.94 119.74 124.52 2vm3 s LYS 43 Ca -0.00 1.41 0.08 0.00 -0.36 0.00 0.00 55.97 57.10 2vm3 s LYS 43 Cb -0.01 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2vm3 s LYS 43 CO -0.00 -0.15 -0.24 -1.64 -0.36 0.00 0.00 175.35 172.95 2vm3 s MET 44 N 1.39 1.69 -0.13 4.03 -1.94 0.26 -4.94 119.30 119.66 2vm3 s MET 44 Ca 0.51 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.22 2vm3 s MET 44 Cb -0.20 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 2vm3 s MET 44 CO 0.24 0.47 0.71 0.08 -0.01 0.00 0.00 175.02 176.52 2vm3 s VAL 45 N -0.77 5.00 -0.65 -6.03 1.01 -1.26 -0.40 120.40 117.30 2vm3 s VAL 45 Ca 0.10 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.57 2vm3 s VAL 45 Cb -0.10 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2vm3 s VAL 45 CO 0.02 0.15 0.52 2.30 0.00 0.00 0.00 175.10 178.09 2vm3 n ILE 46 N 4.29 0.00 -4.11 2.22 -5.35 -0.26 -4.81 119.36 111.34 2vm3 n ILE 46 Ca 0.00 -0.42 -0.15 0.00 -0.27 0.00 0.00 62.75 61.91 2vm3 n ILE 46 Cb 0.50 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 39.44 2vm3 n ILE 46 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2vm3 s ASP 47 N -1.13 0.95 0.40 7.28 1.47 -1.26 -0.98 116.67 123.41 2vm3 s ASP 47 Ca 0.06 -1.50 0.21 0.00 1.18 0.00 0.00 52.55 52.51 2vm3 s ASP 47 Cb 0.06 0.65 0.74 0.00 -0.34 0.00 0.00 42.92 44.02 2vm3 s ASP 47 CO 0.19 -1.27 1.75 0.44 0.68 0.00 0.00 175.17 176.96 2vm3 h ASP 48 N 2.12 0.00 -0.09 2.11 3.32 -1.94 -3.01 116.42 118.93 2vm3 h ASP 48 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2vm3 h ASP 48 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2vm3 h ASP 48 CO 0.39 0.29 0.00 2.29 -1.72 0.00 0.00 179.24 180.49 2vm3 n LYS 49 N -3.40 1.79 -0.50 3.56 2.85 -1.26 -4.94 118.16 116.27 2vm3 n LYS 49 Ca 0.00 -1.16 0.00 0.00 -1.05 0.00 0.00 58.31 56.10 2vm3 n LYS 49 Cb 0.49 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2vm3 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2vm3 n GLY 50 N 1.19 0.74 3.67 2.58 0.00 -1.14 -5.04 105.19 107.20 2vm3 n GLY 50 Ca 0.18 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2vm3 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vm3 n THR 51 N -2.50 1.71 -4.16 2.61 -1.04 -1.26 -4.84 114.28 104.80 2vm3 n THR 51 Ca 0.00 -0.43 -0.27 0.00 -2.04 0.00 0.00 64.05 61.31 2vm3 n THR 51 Cb 0.00 -1.45 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 2vm3 n THR 51 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2vm3 s THR 52 N -0.80 3.97 -0.11 12.58 -4.23 -1.26 -1.11 115.64 124.68 2vm3 s THR 52 Ca 0.59 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 2vm3 s THR 52 Cb -0.61 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2vm3 s THR 52 CO 0.58 -0.06 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.17 2vm3 s LEU 53 N -2.83 2.16 -0.84 4.79 2.96 0.47 -4.91 118.68 120.47 2vm3 s LEU 53 Ca 0.28 -0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 53.39 2vm3 s LEU 53 Cb -0.10 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 2vm3 s LEU 53 CO 0.20 0.14 1.69 -1.10 -1.32 0.00 0.00 176.35 175.96 2vm3 s GLN 54 N 0.48 2.94 0.30 1.98 -1.52 -1.26 -0.57 119.66 122.00 2vm3 s GLN 54 Ca -0.15 -0.30 0.04 0.00 -1.95 0.00 0.00 55.36 53.00 2vm3 s GLN 54 Cb -0.17 -4.85 -0.02 0.00 -0.22 0.00 0.00 33.01 27.75 2vm3 s GLN 54 CO 0.06 -2.74 0.45 0.00 -0.25 0.00 0.00 175.29 172.81 2vm3 s ALA 55 N 7.84 3.92 -0.03 6.09 0.00 -0.12 -4.92 121.76 134.55 2vm3 s ALA 55 Ca 0.58 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2vm3 s ALA 55 Cb -0.06 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2vm3 s ALA 55 CO 0.04 0.08 -0.04 -1.64 0.00 0.00 0.00 175.76 174.20 2vm3 s MET 56 N -4.14 0.57 0.04 0.00 -1.94 -0.71 -1.10 119.30 112.03 2vm3 s MET 56 Ca 0.39 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.28 2vm3 s MET 56 Cb -0.09 -0.62 -0.03 0.00 2.01 0.00 0.00 34.83 36.11 2vm3 s MET 56 CO 0.32 -0.03 -0.05 0.95 -0.01 0.00 0.00 175.02 176.20 2vm3 s THR 57 N 0.60 0.36 -0.13 2.05 -4.23 -0.58 -2.80 115.64 110.92 2vm3 s THR 57 Ca -0.07 -1.22 -0.23 0.00 -1.18 0.00 0.00 61.69 59.00 2vm3 s THR 57 Cb -0.10 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 2vm3 s THR 57 CO -0.00 -0.56 0.69 -0.36 -0.54 0.00 0.00 174.62 173.84 2vm3 s PHE 58 N -2.01 3.48 -1.97 3.99 0.08 -1.26 -1.33 117.98 118.97 2vm3 s PHE 58 Ca -0.07 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.10 2vm3 s PHE 58 Cb -0.06 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 2vm3 s PHE 58 CO -0.02 -0.04 0.00 0.09 -0.10 0.00 0.00 175.22 175.15 2vm3 n ASN 59 N 4.41 -5.08 0.00 1.36 4.13 0.26 -2.90 115.26 117.45 2vm3 n ASN 59 Ca -0.01 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.66 2vm3 n ASN 59 Cb 0.50 -4.49 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 2vm3 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vm3 n GLY 60 N -0.44 1.06 3.36 7.41 0.00 -1.26 -4.99 105.19 110.33 2vm3 n GLY 60 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2vm3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vm3 s SER 61 N -3.06 2.98 -0.21 1.61 1.04 -1.14 -5.01 113.70 109.90 2vm3 s SER 61 Ca 0.00 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2vm3 s SER 61 Cb 0.00 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2vm3 s SER 61 CO 0.00 0.06 -0.08 -0.04 0.98 0.00 0.00 173.24 174.16 2vm3 s MET 62 N -2.54 3.29 1.06 4.02 -1.94 -1.26 -3.18 119.30 118.75 2vm3 s MET 62 Ca 0.16 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.30 2vm3 s MET 62 Cb -0.08 -2.91 0.22 0.00 2.01 0.00 0.00 34.83 34.08 2vm3 s MET 62 CO 0.07 -0.19 1.19 -1.25 -0.01 0.00 0.00 175.02 174.83 2vm3 s PRO 63 N 1.42 -0.07 1.10 2.03 0.04 -1.26 -3.42 135.00 134.84 2vm3 s PRO 63 Ca 0.05 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.87 2vm3 s PRO 63 Cb -0.14 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.87 2vm3 s PRO 63 CO -0.05 -2.94 0.73 0.41 0.04 0.00 0.00 177.00 175.19 2vm3 n GLY 64 N -2.15 -1.88 3.75 0.56 0.00 0.56 -4.74 105.19 101.29 2vm3 n GLY 64 Ca 0.12 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 2vm3 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vm3 s PRO 65 N -4.13 2.67 -0.07 1.61 0.04 -1.26 -4.59 135.00 129.26 2vm3 s PRO 65 Ca 0.64 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.08 2vm3 s PRO 65 Cb -0.21 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2vm3 s PRO 65 CO 0.65 -1.41 0.88 0.99 0.04 0.00 0.00 177.00 178.15 2vm3 s THR 66 N -1.94 4.90 -0.16 1.26 2.01 -1.26 -4.28 115.64 116.18 2vm3 s THR 66 Ca 0.73 1.81 -0.14 0.00 0.31 0.00 0.00 61.69 64.40 2vm3 s THR 66 Cb -0.27 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2vm3 s THR 66 CO 0.39 0.13 0.31 -0.76 -0.69 0.00 0.00 174.62 174.00 2vm3 s LEU 67 N 1.35 4.25 -0.14 4.42 1.02 -0.61 -4.54 118.68 124.43 2vm3 s LEU 67 Ca 0.45 0.54 0.03 0.00 0.02 0.00 0.00 54.13 55.16 2vm3 s LEU 67 Cb -0.19 -2.41 0.01 0.00 0.02 0.00 0.00 46.19 43.62 2vm3 s LEU 67 CO 0.20 0.09 -0.22 -0.69 0.02 0.00 0.00 176.35 175.75 2vm3 s VAL 68 N 0.50 2.05 0.33 -1.59 1.01 -1.26 -0.02 120.40 121.41 2vm3 s VAL 68 Ca 0.18 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2vm3 s VAL 68 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2vm3 s VAL 68 CO 0.05 0.55 0.20 1.33 0.00 0.00 0.00 175.10 177.23 2vm3 n VAL 69 N 4.05 0.00 -4.23 2.92 0.24 -0.29 -5.00 118.33 116.02 2vm3 n VAL 69 Ca -0.20 -2.18 -0.28 0.00 -2.04 0.00 0.00 64.34 59.64 2vm3 n VAL 69 Cb 0.52 0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 2vm3 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2vm3 s HIS 70 N -3.10 2.77 0.08 6.34 3.76 -1.26 -0.98 115.29 122.90 2vm3 s HIS 70 Ca 0.29 -0.16 -0.35 0.00 -0.15 0.00 0.00 55.06 54.69 2vm3 s HIS 70 Cb 0.01 -1.38 -0.15 0.00 1.11 0.00 0.00 32.58 32.18 2vm3 s HIS 70 CO 0.20 0.49 1.54 -1.91 -0.85 0.00 0.00 174.74 174.22 2vm3 n GLU 71 N 0.15 1.75 0.00 1.40 2.13 0.14 -0.87 120.64 125.34 2vm3 n GLU 71 Ca -0.11 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2vm3 n GLU 71 Cb 0.54 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2vm3 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vm3 n GLY 72 N 3.27 3.40 3.69 8.31 0.00 -0.40 -4.64 105.19 118.82 2vm3 n GLY 72 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2vm3 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vm3 s ASP 73 N -0.91 3.22 -0.14 1.61 1.01 -0.05 -4.67 116.67 116.75 2vm3 s ASP 73 Ca 0.00 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 2vm3 s ASP 73 Cb 0.00 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2vm3 s ASP 73 CO 0.00 -2.83 -0.10 -0.31 0.21 0.00 0.00 175.17 172.14 2vm3 s TYR 74 N -2.81 2.89 -0.13 4.23 1.51 -0.17 -0.85 117.35 122.03 2vm3 s TYR 74 Ca 0.64 -0.51 -0.20 0.00 -1.01 0.00 0.00 57.07 55.99 2vm3 s TYR 74 Cb -0.20 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2vm3 s TYR 74 CO 0.58 -0.14 0.57 0.08 -1.11 0.00 0.00 175.55 175.53 2vm3 s VAL 75 N 0.33 5.11 -0.30 0.71 1.01 0.58 -0.40 120.40 127.44 2vm3 s VAL 75 Ca -0.08 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2vm3 s VAL 75 Cb -0.15 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2vm3 s VAL 75 CO 0.05 0.25 0.02 -1.58 0.00 0.00 0.00 175.10 173.84 2vm3 s GLN 76 N 1.02 1.41 -0.19 2.72 0.74 0.14 -1.15 119.66 124.35 2vm3 s GLN 76 Ca 0.29 -1.43 -0.07 0.00 0.05 0.00 0.00 55.36 54.21 2vm3 s GLN 76 Cb -0.16 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 2vm3 s GLN 76 CO 0.12 -0.83 0.05 -1.17 -0.55 0.00 0.00 175.29 172.90 2vm3 s LEU 77 N 1.20 3.64 -0.32 3.68 2.96 0.98 -1.06 118.68 129.76 2vm3 s LEU 77 Ca 0.05 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 2vm3 s LEU 77 Cb -0.19 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2vm3 s LEU 77 CO -0.11 0.13 0.39 -0.89 -1.32 0.00 0.00 176.35 174.55 2vm3 s THR 78 N 0.60 5.14 -0.26 3.68 2.01 0.03 -0.44 115.64 126.40 2vm3 s THR 78 Ca 0.02 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2vm3 s THR 78 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2vm3 s THR 78 CO 0.02 -0.05 0.12 -0.22 -0.69 0.00 0.00 174.62 173.80 2vm3 s LEU 79 N 2.10 3.71 -0.16 4.42 2.96 0.59 -1.41 118.68 130.88 2vm3 s LEU 79 Ca 0.14 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2vm3 s LEU 79 Cb -0.16 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 2vm3 s LEU 79 CO 0.12 -0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 2vm3 s VAL 80 N 1.61 3.64 -0.53 1.68 1.01 0.16 -1.80 120.40 126.18 2vm3 s VAL 80 Ca 0.06 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2vm3 s VAL 80 Cb -0.15 -2.60 0.13 0.00 0.00 0.00 0.00 36.38 33.76 2vm3 s VAL 80 CO 0.07 0.48 0.28 0.21 0.00 0.00 0.00 175.10 176.14 2vm3 s ASN 81 N 0.57 4.52 0.66 3.32 2.47 -0.27 -0.86 114.94 125.35 2vm3 s ASN 81 Ca -0.04 -2.93 -0.17 0.00 0.42 0.00 0.00 52.86 50.14 2vm3 s ASN 81 Cb -0.15 -1.68 -0.01 0.00 -1.45 0.00 0.00 41.25 37.96 2vm3 s ASN 81 CO 0.03 -0.27 1.10 -2.65 -3.72 0.00 0.00 177.10 171.59 2vm3 n PRO 82 N 3.26 0.84 0.23 0.43 -0.02 -1.26 0.98 135.00 139.45 2vm3 n PRO 82 Ca 0.05 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 2vm3 n PRO 82 Cb 0.34 -2.34 0.80 0.00 -0.02 0.00 0.00 33.50 32.28 2vm3 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vm3 h ALA 83 N 0.23 1.00 0.00 3.55 0.00 -1.89 -1.85 119.26 120.30 2vm3 h ALA 83 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2vm3 h ALA 83 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2vm3 h ALA 83 CO 0.50 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.00 2vm3 n THR 84 N -2.58 0.70 -2.08 0.00 -2.24 -1.26 -4.75 114.28 102.07 2vm3 n THR 84 Ca -0.02 0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 2vm3 n THR 84 Cb 0.08 -0.90 0.01 0.00 -2.10 0.00 0.00 70.33 67.42 2vm3 n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2vm3 s ASN 85 N -3.87 6.24 -0.15 3.42 0.01 -0.70 -4.99 114.94 114.91 2vm3 s ASN 85 Ca 0.08 1.29 0.19 0.00 -0.71 0.00 0.00 52.86 53.71 2vm3 s ASN 85 Cb 0.11 -2.41 -0.27 0.00 0.41 0.00 0.00 41.25 39.09 2vm3 s ASN 85 CO 0.43 -0.79 0.19 0.00 -1.51 0.00 0.00 177.10 175.43 2vm3 n ALA 86 N -2.60 1.84 -2.64 0.60 0.00 -1.26 -4.76 120.51 111.69 2vm3 n ALA 86 Ca 0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 53.44 52.12 2vm3 n ALA 86 Cb 0.54 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 2vm3 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2vm3 s MET 87 N -2.76 2.30 0.62 0.00 -1.94 -1.26 -4.90 119.30 111.37 2vm3 s MET 87 Ca -0.09 -1.25 -0.14 0.00 -1.71 0.00 0.00 55.69 52.50 2vm3 s MET 87 Cb 0.08 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.65 2vm3 s MET 87 CO 0.85 0.42 1.06 -1.25 -0.01 0.00 0.00 175.02 176.09 2vm3 s PRO 88 N -3.19 3.17 0.30 2.03 0.04 -1.26 -4.15 135.00 131.94 2vm3 s PRO 88 Ca 0.28 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 2vm3 s PRO 88 Cb -0.08 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2vm3 s PRO 88 CO 0.18 -0.92 0.35 -1.01 0.04 0.00 0.00 177.00 175.64 2vm3 s HIS 89 N -2.59 1.23 0.00 0.56 3.76 -0.64 -4.91 115.29 112.70 2vm3 s HIS 89 Ca 0.62 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 2vm3 s HIS 89 Cb -0.16 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.19 2vm3 s HIS 89 CO 0.42 -0.95 0.00 0.27 -0.85 0.00 0.00 174.74 173.62 2vm3 n ASN 90 N -1.15 0.00 -3.77 1.40 0.23 -1.26 -0.32 115.26 110.39 2vm3 n ASN 90 Ca 0.03 -0.61 -0.13 0.00 -0.53 0.00 0.00 54.58 53.34 2vm3 n ASN 90 Cb 0.63 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.20 2vm3 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2vm3 s VAL 91 N -2.82 -0.02 -0.27 3.53 0.11 -1.26 -4.27 120.40 115.39 2vm3 s VAL 91 Ca 0.00 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.10 2vm3 s VAL 91 Cb 0.00 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2vm3 s VAL 91 CO 0.00 0.02 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.12 2vm3 s ASP 92 N 0.54 4.58 -0.31 3.54 -1.08 0.48 -1.05 116.67 123.37 2vm3 s ASP 92 Ca -0.04 -1.18 -0.18 0.00 -0.52 0.00 0.00 52.55 50.64 2vm3 s ASP 92 Cb -0.05 -1.65 -0.01 0.00 -1.46 0.00 0.00 42.92 39.74 2vm3 s ASP 92 CO -0.03 -0.20 0.50 -0.36 0.52 0.00 0.00 175.17 175.60 2vm3 s PHE 93 N 1.24 3.21 0.24 -5.34 0.08 0.22 -1.12 117.98 116.51 2vm3 s PHE 93 Ca -0.04 0.34 0.36 0.00 0.12 0.00 0.00 56.93 57.70 2vm3 s PHE 93 Cb -0.19 -2.82 1.74 0.00 -0.57 0.00 0.00 43.02 41.18 2vm3 s PHE 93 CO -0.03 -0.43 2.09 0.45 -0.10 0.00 0.00 175.22 177.20 2vm3 h HIS 94 N 8.30 0.00 0.00 0.36 3.86 -1.46 -2.22 115.15 123.99 2vm3 h HIS 94 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2vm3 h HIS 94 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2vm3 h HIS 94 CO 0.74 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.94 2vm3 n GLY 95 N -0.53 -1.27 3.79 2.45 0.00 -1.26 -4.89 105.19 103.48 2vm3 n GLY 95 Ca -0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2vm3 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 s ALA 96 N -2.77 3.52 -0.21 4.61 0.00 -0.83 -4.62 121.76 121.46 2vm3 s ALA 96 Ca 0.19 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 2vm3 s ALA 96 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2vm3 s ALA 96 CO 0.43 0.40 -0.10 0.99 0.00 0.00 0.00 175.76 177.49 2vm3 s THR 97 N -1.91 2.93 0.00 0.00 2.01 -1.26 -4.72 115.64 112.68 2vm3 s THR 97 Ca 0.31 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2vm3 s THR 97 Cb -0.09 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.11 2vm3 s THR 97 CO 0.23 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 2vm3 n GLY 98 N 4.72 2.62 3.82 4.40 0.00 -1.26 -4.95 105.19 114.54 2vm3 n GLY 98 Ca -0.19 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 2vm3 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 n ALA 99 N 0.88 -1.64 -3.87 4.61 0.00 -1.26 -0.94 120.51 118.30 2vm3 n ALA 99 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 2vm3 n ALA 99 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 19.45 16.24 2vm3 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2vm3 n LEU 100 N -4.49 -2.63 0.00 0.00 4.77 -1.26 -0.99 117.00 112.39 2vm3 n LEU 100 Ca -0.13 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2vm3 n LEU 100 Cb 0.60 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.19 2vm3 n LEU 100 CO 0.72 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 2vm3 n GLY 101 N -1.67 0.34 0.00 -0.72 0.00 -0.11 -2.72 105.19 100.30 2vm3 n GLY 101 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2vm3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vm3 n GLY 102 N -1.49 0.69 0.29 -0.02 0.00 -0.16 -0.61 105.19 103.89 2vm3 n GLY 102 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2vm3 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 h ALA 103 N 0.00 1.08 0.00 4.61 0.00 -0.85 -2.16 119.26 121.94 2vm3 h ALA 103 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2vm3 h ALA 103 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vm3 h ALA 103 CO 0.00 0.12 0.00 0.87 0.00 0.00 0.00 179.25 180.24 2vm3 h LYS 104 N 0.80 0.00 -0.04 0.00 1.57 -1.77 -2.92 116.57 114.21 2vm3 h LYS 104 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2vm3 h LYS 104 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2vm3 h LYS 104 CO -0.21 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.95 2vm3 n LEU 105 N -2.33 1.77 -0.36 2.94 4.77 -0.84 -4.59 117.00 118.36 2vm3 n LEU 105 Ca 0.00 -1.15 0.04 0.00 -0.03 0.00 0.00 56.01 54.88 2vm3 n LEU 105 Cb 0.14 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2vm3 n LEU 105 CO 0.16 0.38 0.38 0.35 -1.33 0.00 0.00 177.39 177.32 2vm3 n THR 106 N 0.39 0.85 -1.89 -5.08 -2.24 -1.06 -4.83 114.28 100.42 2vm3 n THR 106 Ca 0.05 -1.07 -0.40 0.00 -2.27 0.00 0.00 64.05 60.36 2vm3 n THR 106 Cb 0.21 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 2vm3 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2vm3 s ASN 107 N -1.88 5.30 -0.22 3.42 0.01 -1.23 -4.11 114.94 116.23 2vm3 s ASN 107 Ca 0.16 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 2vm3 s ASN 107 Cb 0.14 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.31 2vm3 s ASN 107 CO 0.00 -2.24 -0.13 0.68 -1.51 0.00 0.00 177.10 173.91 2vm3 s VAL 108 N 8.99 2.45 0.66 1.60 -7.23 0.56 -4.97 120.40 122.46 2vm3 s VAL 108 Ca 0.81 -1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 59.82 2vm3 s VAL 108 Cb -0.18 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 2vm3 s VAL 108 CO 0.27 0.33 1.05 0.20 -0.31 0.00 0.00 175.10 176.64 2vm3 s ASN 109 N 1.29 5.63 0.17 4.85 0.01 -1.26 -1.62 114.94 124.01 2vm3 s ASN 109 Ca 0.01 1.61 -0.33 0.00 -0.71 0.00 0.00 52.86 53.44 2vm3 s ASN 109 Cb -0.15 -2.50 -0.14 0.00 0.41 0.00 0.00 41.25 38.87 2vm3 s ASN 109 CO -0.08 -1.27 1.46 -2.65 -1.51 0.00 0.00 177.10 173.05 2vm3 n PRO 110 N -2.84 1.89 -0.36 -0.60 -0.02 -1.26 -0.70 135.00 131.11 2vm3 n PRO 110 Ca 0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2vm3 n PRO 110 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2vm3 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vm3 n GLY 111 N 2.82 0.68 3.59 -1.23 0.00 0.28 -4.64 105.19 106.69 2vm3 n GLY 111 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2vm3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vm3 s GLU 112 N -0.64 2.06 0.14 1.61 2.02 0.12 -4.86 118.70 119.16 2vm3 s GLU 112 Ca 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 54.97 53.35 2vm3 s GLU 112 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 2vm3 s GLU 112 CO 0.00 0.30 0.13 1.14 0.02 0.00 0.00 175.26 176.85 2vm3 s GLN 113 N -3.64 1.00 0.12 1.61 -2.07 -1.26 -1.11 119.66 114.30 2vm3 s GLN 113 Ca 0.32 -1.35 -0.13 0.00 -1.82 0.00 0.00 55.36 52.38 2vm3 s GLN 113 Cb -0.04 0.29 0.02 0.00 -1.09 0.00 0.00 33.01 32.18 2vm3 s GLN 113 CO 0.18 -0.31 0.32 0.00 -1.32 0.00 0.00 175.29 174.16 2vm3 s ALA 114 N -4.02 -0.59 -0.12 2.60 0.00 -0.74 -5.00 121.76 113.89 2vm3 s ALA 114 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2vm3 s ALA 114 Cb 0.06 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.84 2vm3 s ALA 114 CO 0.01 -0.60 -0.10 0.99 0.00 0.00 0.00 175.76 176.06 2vm3 s THR 115 N -3.84 1.22 -0.05 0.00 2.01 -1.26 -0.30 115.64 113.41 2vm3 s THR 115 Ca 0.05 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2vm3 s THR 115 Cb 0.03 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2vm3 s THR 115 CO -0.10 0.40 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.89 2vm3 s LEU 116 N 1.48 2.92 -0.03 4.42 2.96 0.41 -4.95 118.68 125.89 2vm3 s LEU 116 Ca 0.02 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2vm3 s LEU 116 Cb -0.13 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2vm3 s LEU 116 CO -0.07 0.35 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.47 2vm3 s ARG 117 N -0.78 2.06 0.05 1.98 3.52 -1.26 -0.02 118.95 124.50 2vm3 s ARG 117 Ca 0.12 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2vm3 s ARG 117 Cb -0.11 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 2vm3 s ARG 117 CO 0.01 0.48 0.17 -0.59 -0.81 0.00 0.00 175.30 174.56 2vm3 s PHE 118 N -0.46 0.12 -0.19 5.12 -0.12 -0.30 -4.99 117.98 117.15 2vm3 s PHE 118 Ca 0.06 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.28 2vm3 s PHE 118 Cb -0.10 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2vm3 s PHE 118 CO 0.00 -0.45 0.76 0.21 -0.05 0.00 0.00 175.22 175.69 2vm3 s LYS 119 N -2.95 4.24 -1.31 1.99 2.20 -1.26 -0.31 119.74 122.34 2vm3 s LYS 119 Ca -0.02 0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 56.31 2vm3 s LYS 119 Cb 0.01 -3.59 0.12 0.00 -1.51 0.00 0.00 37.83 32.86 2vm3 s LYS 119 CO -0.06 -0.33 1.84 0.00 -0.36 0.00 0.00 175.35 176.43 2vm3 n ALA 120 N 5.32 4.77 1.51 3.13 0.00 -0.03 -4.73 120.51 130.48 2vm3 n ALA 120 Ca 0.02 -4.12 0.13 0.00 0.00 0.00 0.00 53.44 49.47 2vm3 n ALA 120 Cb 0.49 -3.23 0.54 0.00 0.00 0.00 0.00 19.45 17.24 2vm3 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2vm3 n ASP 121 N 5.53 1.31 -4.02 0.00 5.75 -1.26 -1.28 116.55 122.59 2vm3 n ASP 121 Ca 0.43 -1.49 -0.25 0.00 -0.01 0.00 0.00 54.79 53.48 2vm3 n ASP 121 Cb 0.40 -0.03 -0.17 0.00 -1.03 0.00 0.00 41.12 40.30 2vm3 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2vm3 s ARG 122 N -1.95 1.68 0.43 0.11 0.52 -1.26 -4.78 118.95 113.71 2vm3 s ARG 122 Ca 0.37 -0.41 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 2vm3 s ARG 122 Cb 0.20 -1.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.17 2vm3 s ARG 122 CO 0.32 0.02 0.97 -1.54 0.02 0.00 0.00 175.30 175.09 2vm3 s SER 123 N 0.68 6.83 0.00 0.23 1.04 -1.26 -4.76 113.70 116.46 2vm3 s SER 123 Ca -0.14 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2vm3 s SER 123 Cb -0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2vm3 s SER 123 CO 0.04 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2vm3 n GLY 124 N -0.42 1.79 3.75 7.32 0.00 0.38 -3.03 105.19 114.98 2vm3 n GLY 124 Ca 0.07 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 2vm3 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vm3 s THR 125 N -1.39 5.21 -0.02 2.61 -4.23 0.69 -0.03 115.64 118.48 2vm3 s THR 125 Ca 0.00 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 2vm3 s THR 125 Cb 0.00 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 2vm3 s THR 125 CO 0.00 0.41 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.05 2vm3 s PHE 126 N 0.15 0.86 0.36 3.99 0.40 0.65 -4.34 117.98 120.05 2vm3 s PHE 126 Ca 0.22 -0.19 -0.27 0.00 -0.60 0.00 0.00 56.93 56.08 2vm3 s PHE 126 Cb -0.15 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.70 2vm3 s PHE 126 CO 0.08 -0.06 1.22 0.08 0.70 0.00 0.00 175.22 177.24 2vm3 s VAL 127 N 0.04 3.00 0.08 -0.44 1.01 -1.26 -0.45 120.40 122.37 2vm3 s VAL 127 Ca -0.00 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.00 2vm3 s VAL 127 Cb -0.06 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2vm3 s VAL 127 CO 0.00 0.16 -0.22 -0.72 0.00 0.00 0.00 175.10 174.32 2vm3 s TYR 128 N -1.26 2.44 0.14 5.22 -0.85 0.40 -1.21 117.35 122.23 2vm3 s TYR 128 Ca 0.52 -0.33 -0.20 0.00 -0.52 0.00 0.00 57.07 56.55 2vm3 s TYR 128 Cb -0.35 -1.37 0.05 0.00 0.38 0.00 0.00 41.96 40.67 2vm3 s TYR 128 CO 0.45 0.27 0.51 -3.38 -1.52 0.00 0.00 175.55 171.87 2vm3 s HIS 129 N -0.97 -0.39 0.40 -3.49 -3.43 -0.27 -1.11 115.29 106.03 2vm3 s HIS 129 Ca 0.14 0.13 -0.24 0.00 -0.80 0.00 0.00 55.06 54.29 2vm3 s HIS 129 Cb -0.10 0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 31.38 2vm3 s HIS 129 CO 0.06 -0.78 1.09 0.00 -2.00 0.00 0.00 174.74 173.11 2vm3 n ALA 131 N -0.06 0.58 -1.88 0.00 0.00 -1.26 -4.47 120.51 113.42 2vm3 n ALA 131 Ca 0.05 -2.43 -0.41 0.00 0.00 0.00 0.00 53.44 50.65 2vm3 n ALA 131 Cb 0.49 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 2vm3 n ALA 131 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vm3 s PRO 132 N -0.70 4.64 0.12 0.00 0.05 -1.26 -4.86 135.00 132.98 2vm3 s PRO 132 Ca 0.32 1.75 -0.35 0.00 0.05 0.00 0.00 61.00 62.77 2vm3 s PRO 132 Cb 0.26 -3.23 -0.15 0.00 0.05 0.00 0.00 34.50 31.43 2vm3 s PRO 132 CO -0.12 0.18 1.45 -1.91 0.05 0.00 0.00 177.00 176.65 2vm3 n GLU 133 N 1.71 1.61 0.00 4.56 4.07 -1.26 -1.44 120.64 129.89 2vm3 n GLU 133 Ca 0.00 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2vm3 n GLU 133 Cb 0.45 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 2vm3 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2vm3 n GLY 134 N 2.93 2.87 1.62 8.31 0.00 -1.26 -4.80 105.19 114.86 2vm3 n GLY 134 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2vm3 n GLY 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2vm3 n MET 135 N -2.00 1.46 0.38 1.61 0.00 -0.52 -4.95 117.12 113.10 2vm3 n MET 135 Ca 0.00 -3.08 -0.18 0.00 0.00 0.00 0.00 57.70 54.45 2vm3 n MET 135 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 33.22 31.93 2vm3 n MET 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2vm3 h VAL 136 N 4.15 0.26 -0.91 3.17 2.07 -1.83 -2.52 116.25 120.64 2vm3 h VAL 136 Ca -0.04 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2vm3 h VAL 136 Cb 1.45 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2vm3 h VAL 136 CO 0.21 0.01 0.59 -0.65 0.02 0.00 0.00 177.57 177.75 2vm3 h PRO 137 N -1.03 1.05 -0.29 1.57 0.11 -1.92 -2.13 132.00 129.35 2vm3 h PRO 137 Ca -0.10 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 2vm3 h PRO 137 Cb 0.75 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2vm3 h PRO 137 CO 0.16 0.69 0.16 2.35 -0.21 0.00 0.00 178.00 181.16 2vm3 h TRP 138 N 1.08 0.40 -0.67 0.65 7.01 -1.94 0.80 115.95 123.28 2vm3 h TRP 138 Ca 0.38 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.32 2vm3 h TRP 138 Cb 0.11 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 2vm3 h TRP 138 CO -0.00 0.32 0.23 0.45 -2.79 0.00 0.00 178.44 176.65 2vm3 h HIS 139 N 0.36 1.03 0.24 2.65 3.86 -1.10 -1.54 115.15 120.64 2vm3 h HIS 139 Ca 0.10 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2vm3 h HIS 139 Cb 0.05 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.22 2vm3 h HIS 139 CO -0.03 0.81 -0.12 0.28 0.86 0.00 0.00 177.93 179.73 2vm3 h VAL 140 N 0.98 0.81 0.00 2.45 2.07 -0.99 -2.54 116.25 119.03 2vm3 h VAL 140 Ca 0.22 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2vm3 h VAL 140 Cb 0.25 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2vm3 h VAL 140 CO -0.01 0.14 -0.04 -0.37 0.02 0.00 0.00 177.57 177.31 2vm3 h VAL 141 N -0.71 0.14 0.00 2.57 -1.51 -0.82 -1.83 116.25 114.10 2vm3 h VAL 141 Ca -0.03 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2vm3 h VAL 141 Cb 0.48 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2vm3 h VAL 141 CO 0.05 0.04 0.00 -1.20 -1.23 0.00 0.00 177.57 175.24 2vm3 n SER 142 N -3.20 0.00 0.00 4.19 7.64 -0.59 -4.75 113.62 116.91 2vm3 n SER 142 Ca -0.01 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2vm3 n SER 142 Cb 0.26 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2vm3 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vm3 n GLY 143 N 1.24 -0.02 2.94 0.23 0.00 -0.69 -1.74 105.19 107.14 2vm3 n GLY 143 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2vm3 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vm3 n MET 144 N 0.00 3.57 -3.70 1.61 2.81 -0.96 -4.55 117.12 115.90 2vm3 n MET 144 Ca 0.00 -3.54 -0.10 0.00 -1.81 0.00 0.00 57.70 52.25 2vm3 n MET 144 Cb 0.00 -2.95 -0.05 0.00 -0.71 0.00 0.00 33.22 29.51 2vm3 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2vm3 s SER 145 N 1.17 -0.19 0.00 7.83 1.04 -1.26 -1.56 113.70 120.73 2vm3 s SER 145 Ca 0.40 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2vm3 s SER 145 Cb 0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2vm3 s SER 145 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2vm3 n GLY 146 N -0.24 1.49 3.22 7.32 0.00 -0.27 -0.32 105.19 116.39 2vm3 n GLY 146 Ca -0.14 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2vm3 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vm3 s THR 147 N -2.60 1.88 -0.26 2.61 2.01 -1.26 -0.45 115.64 117.56 2vm3 s THR 147 Ca 0.00 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 2vm3 s THR 147 Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2vm3 s THR 147 CO 0.00 0.52 0.27 -0.22 -0.69 0.00 0.00 174.62 174.50 2vm3 s LEU 148 N 0.03 4.05 -0.25 4.42 2.96 0.40 -1.58 118.68 128.72 2vm3 s LEU 148 Ca -0.08 0.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2vm3 s LEU 148 Cb -0.14 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 2vm3 s LEU 148 CO 0.05 -0.08 0.13 -0.32 -1.32 0.00 0.00 176.35 174.81 2vm3 s MET 149 N 1.71 3.88 -0.41 1.98 -2.45 0.97 -0.25 119.30 124.73 2vm3 s MET 149 Ca 0.11 -0.36 -0.07 0.00 -1.25 0.00 0.00 55.69 54.12 2vm3 s MET 149 Cb -0.15 -3.48 0.09 0.00 1.25 0.00 0.00 34.83 32.54 2vm3 s MET 149 CO 0.09 -0.08 0.22 0.08 1.05 0.00 0.00 175.02 176.39 2vm3 s VAL 150 N 1.41 3.83 0.32 10.11 1.01 0.96 -1.14 120.40 136.90 2vm3 s VAL 150 Ca 0.06 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 60.17 2vm3 s VAL 150 Cb -0.15 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2vm3 s VAL 150 CO 0.06 -0.54 0.94 -0.76 0.00 0.00 0.00 175.10 174.80 2vm3 s LEU 151 N 1.32 4.32 0.50 3.92 1.43 -0.15 -0.47 118.68 129.55 2vm3 s LEU 151 Ca 0.04 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 54.73 2vm3 s LEU 151 Cb -0.23 -4.02 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 2vm3 s LEU 151 CO -0.00 -0.07 1.27 -2.84 0.23 0.00 0.00 176.35 174.94 2vm3 s PRO 152 N -2.09 3.46 0.40 1.29 0.02 -1.26 -0.68 135.00 136.13 2vm3 s PRO 152 Ca 0.50 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.65 2vm3 s PRO 152 Cb -0.18 -2.36 0.87 0.00 0.02 0.00 0.00 34.50 32.85 2vm3 s PRO 152 CO 0.23 -0.87 1.99 -0.09 -0.33 0.00 0.00 177.00 177.94 2vm3 h ARG 153 N 1.80 0.57 -0.68 5.54 2.43 -1.89 0.76 114.38 122.91 2vm3 h ARG 153 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2vm3 h ARG 153 Cb 1.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2vm3 h ARG 153 CO 0.59 0.37 0.00 -3.47 -1.51 0.00 0.00 179.97 175.95 2vm3 n ASP 154 N -4.47 4.66 -0.03 -3.80 2.03 -1.26 -1.23 116.55 112.44 2vm3 n ASP 154 Ca 0.08 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.68 2vm3 n ASP 154 Cb 0.23 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 2vm3 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vm3 n GLY 155 N 0.48 -1.40 3.78 0.27 0.00 0.26 -4.57 105.19 104.01 2vm3 n GLY 155 Ca 0.21 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2vm3 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vm3 s LEU 156 N -2.61 3.97 0.05 0.99 1.43 -1.25 -4.55 118.68 116.71 2vm3 s LEU 156 Ca 0.00 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 2vm3 s LEU 156 Cb 0.00 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2vm3 s LEU 156 CO 0.00 -0.85 -0.13 -0.54 0.23 0.00 0.00 176.35 175.06 2vm3 s LYS 157 N -2.85 0.82 0.88 1.70 -0.14 -1.26 -1.33 119.74 117.57 2vm3 s LYS 157 Ca 0.64 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 2vm3 s LYS 157 Cb -0.24 -0.81 0.17 0.00 -1.68 0.00 0.00 37.83 35.27 2vm3 s LYS 157 CO 0.29 0.19 1.22 0.16 -0.76 0.00 0.00 175.35 176.45 2vm3 s ASP 158 N -1.43 3.56 0.57 2.83 -4.77 0.68 -4.67 116.67 113.45 2vm3 s ASP 158 Ca -0.01 0.13 0.27 0.00 -3.30 0.00 0.00 52.55 49.64 2vm3 s ASP 158 Cb -0.09 -0.30 1.52 0.00 -1.09 0.00 0.00 42.92 42.96 2vm3 s ASP 158 CO 0.02 -2.43 2.03 -0.65 0.70 0.00 0.00 175.17 174.84 2vm3 h PRO 159 N -1.29 0.00 -0.11 2.11 0.11 -1.90 0.72 132.00 131.65 2vm3 h PRO 159 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2vm3 h PRO 159 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2vm3 h PRO 159 CO 0.41 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.24 2vm3 n GLN 160 N -4.00 1.89 -0.83 1.05 3.00 -1.26 -4.94 117.38 112.29 2vm3 n GLN 160 Ca 0.05 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 2vm3 n GLN 160 Cb 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.25 2vm3 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vm3 n GLY 161 N 1.23 0.60 3.82 1.08 0.00 0.25 -5.06 105.19 107.10 2vm3 n GLY 161 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2vm3 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vm3 s LYS 162 N -0.17 3.90 0.38 1.61 1.02 -1.26 -4.70 119.74 120.51 2vm3 s LYS 162 Ca 0.00 1.13 -0.27 0.00 0.02 0.00 0.00 55.97 56.85 2vm3 s LYS 162 Cb 0.00 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 2vm3 s LYS 162 CO 0.00 -0.32 1.23 -2.14 -0.92 0.00 0.00 175.35 173.20 2vm3 s PRO 163 N -3.63 4.15 0.15 -1.68 0.02 -1.26 -0.23 135.00 132.52 2vm3 s PRO 163 Ca 0.62 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.74 2vm3 s PRO 163 Cb -0.12 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 2vm3 s PRO 163 CO 0.24 -0.29 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.91 2vm3 s LEU 164 N -2.23 2.40 0.15 -5.54 1.43 -0.44 -4.74 118.68 109.71 2vm3 s LEU 164 Ca 0.54 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2vm3 s LEU 164 Cb -0.35 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 44.96 2vm3 s LEU 164 CO 0.45 0.02 0.34 -1.38 0.23 0.00 0.00 176.35 176.01 2vm3 s HIS 165 N -1.74 0.14 0.12 0.29 -3.43 -1.26 -3.90 115.29 105.49 2vm3 s HIS 165 Ca 0.14 -0.50 0.10 0.00 -0.80 0.00 0.00 55.06 54.01 2vm3 s HIS 165 Cb -0.07 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 2vm3 s HIS 165 CO 0.07 -0.73 -0.26 1.52 -2.00 0.00 0.00 174.74 173.34 2vm3 s TYR 166 N -3.90 2.20 -0.36 0.38 1.13 -1.26 -4.89 117.35 110.64 2vm3 s TYR 166 Ca 0.11 -0.39 0.23 0.00 -1.41 0.00 0.00 57.07 55.60 2vm3 s TYR 166 Cb 0.02 -1.21 -0.05 0.00 -1.10 0.00 0.00 41.96 39.62 2vm3 s TYR 166 CO -0.05 0.29 0.91 -0.25 -2.51 0.00 0.00 175.55 173.94 2vm3 n ASP 167 N 1.04 0.56 -3.67 -0.18 8.00 0.12 -4.95 116.55 117.48 2vm3 n ASP 167 Ca -0.18 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 2vm3 n ASP 167 Cb 0.53 0.95 -0.08 0.00 -0.02 0.00 0.00 41.12 42.49 2vm3 n ASP 167 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2vm3 s ARG 168 N -3.32 0.65 -0.05 -1.24 6.06 -1.05 -5.00 118.95 114.99 2vm3 s ARG 168 Ca -0.00 0.93 0.06 0.00 -2.50 0.00 0.00 55.73 54.22 2vm3 s ARG 168 Cb 0.13 0.22 -0.01 0.00 0.06 0.00 0.00 34.95 35.35 2vm3 s ARG 168 CO 0.82 -0.11 -0.24 0.00 -2.50 0.00 0.00 175.30 173.27 2vm3 s ALA 169 N 0.87 2.04 0.08 6.12 0.00 -1.26 -0.51 121.76 129.10 2vm3 s ALA 169 Ca -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2vm3 s ALA 169 Cb -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2vm3 s ALA 169 CO -0.07 0.40 -0.21 0.71 0.00 0.00 0.00 175.76 176.59 2vm3 s TYR 170 N -0.18 1.78 -0.14 0.00 2.02 0.78 -4.07 117.35 117.55 2vm3 s TYR 170 Ca -0.02 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2vm3 s TYR 170 Cb -0.13 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 2vm3 s TYR 170 CO 0.03 0.16 -0.21 -0.08 -1.57 0.00 0.00 175.55 173.88 2vm3 s THR 171 N -1.03 2.15 -0.16 -0.71 -1.32 0.27 -1.21 115.64 113.63 2vm3 s THR 171 Ca 0.07 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 2vm3 s THR 171 Cb -0.10 -1.86 0.02 0.00 -1.51 0.00 0.00 72.50 69.06 2vm3 s THR 171 CO 0.03 0.55 -0.18 -0.63 -2.21 0.00 0.00 174.62 172.18 2vm3 s ILE 172 N 0.73 1.87 -0.18 5.08 1.09 0.72 -4.42 121.20 126.09 2vm3 s ILE 172 Ca -0.09 -0.83 -0.06 0.00 -1.10 0.00 0.00 60.65 58.57 2vm3 s ILE 172 Cb -0.16 -1.70 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 2vm3 s ILE 172 CO 0.00 0.51 0.02 -0.83 -0.10 0.00 0.00 174.94 174.55 2vm3 s GLY 173 N 1.24 1.82 -0.17 6.18 0.00 -1.26 -0.70 107.32 114.43 2vm3 s GLY 173 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 2vm3 s GLY 173 CO -0.09 0.04 -0.03 1.85 0.00 0.00 0.00 173.10 174.87 2vm3 s GLU 174 N 0.46 3.63 -0.22 2.90 2.12 -0.39 -0.28 118.70 126.92 2vm3 s GLU 174 Ca 0.00 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.82 2vm3 s GLU 174 Cb -0.13 -2.97 0.05 0.00 0.26 0.00 0.00 34.13 31.33 2vm3 s GLU 174 CO 0.01 0.14 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.70 2vm3 s PHE 175 N 0.64 2.75 -0.30 5.30 0.08 0.40 -4.53 117.98 122.32 2vm3 s PHE 175 Ca -0.02 -1.86 -0.29 0.00 0.12 0.00 0.00 56.93 54.88 2vm3 s PHE 175 Cb -0.14 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2vm3 s PHE 175 CO 0.02 -0.80 1.14 0.16 -0.10 0.00 0.00 175.22 175.64 2vm3 s ASP 176 N 1.28 6.88 0.09 1.36 -4.77 -1.26 -1.36 116.67 118.88 2vm3 s ASP 176 Ca -0.03 1.15 0.04 0.00 -3.30 0.00 0.00 52.55 50.40 2vm3 s ASP 176 Cb -0.17 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 2vm3 s ASP 176 CO -0.08 -0.91 0.05 -0.76 0.70 0.00 0.00 175.17 174.17 2vm3 s LEU 177 N 3.78 3.67 -0.54 2.11 1.43 0.31 -4.86 118.68 124.60 2vm3 s LEU 177 Ca 0.48 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2vm3 s LEU 177 Cb -0.14 -2.37 0.24 0.00 0.03 0.00 0.00 46.19 43.95 2vm3 s LEU 177 CO 0.17 0.17 0.63 -1.22 0.23 0.00 0.00 176.35 176.32 2vm3 n TYR 178 N 0.48 1.86 -2.99 0.29 4.01 -1.26 -0.46 117.16 119.08 2vm3 n TYR 178 Ca -0.09 -3.90 -0.41 0.00 -0.16 0.00 0.00 57.90 53.34 2vm3 n TYR 178 Cb 0.52 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 2vm3 n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2vm3 s ILE 179 N -1.81 4.92 0.75 -0.72 -1.09 -1.26 -4.71 121.20 117.29 2vm3 s ILE 179 Ca 0.37 1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 60.06 2vm3 s ILE 179 Cb 0.14 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2vm3 s ILE 179 CO -0.07 0.02 1.11 -2.84 -1.23 0.00 0.00 174.94 171.92 2vm3 s PRO 180 N 2.39 2.30 0.12 2.79 0.02 -1.26 -4.86 135.00 136.51 2vm3 s PRO 180 Ca 0.32 1.28 0.11 0.00 0.02 0.00 0.00 61.00 62.73 2vm3 s PRO 180 Cb -0.16 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2vm3 s PRO 180 CO 0.09 -1.62 -0.26 0.15 -0.33 0.00 0.00 177.00 175.03 2vm3 s LYS 181 N -4.62 1.40 0.76 5.54 1.02 -1.26 -1.07 119.74 121.50 2vm3 s LYS 181 Ca 0.64 -1.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 2vm3 s LYS 181 Cb -0.19 -1.86 0.15 0.00 -0.52 0.00 0.00 37.83 35.41 2vm3 s LYS 181 CO 0.52 0.44 1.05 0.20 -0.92 0.00 0.00 175.35 176.64 2vm3 s GLY 182 N -2.00 1.76 0.57 -3.33 0.00 0.01 -4.85 107.32 99.48 2vm3 s GLY 182 Ca 0.13 -1.73 0.29 0.00 0.00 0.00 0.00 44.72 43.41 2vm3 s GLY 182 CO 0.06 -1.11 1.88 -2.55 0.00 0.00 0.00 173.10 171.38 2vm3 h PRO 183 N -0.70 0.00 -0.00 2.90 0.11 -2.02 0.13 132.00 132.42 2vm3 h PRO 183 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2vm3 h PRO 183 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2vm3 h PRO 183 CO 0.38 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.76 2vm3 n ASP 184 N -3.91 0.24 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.43 2vm3 n ASP 184 Ca 0.12 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 2vm3 n ASP 184 Cb 0.78 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 2vm3 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vm3 n GLY 185 N 1.09 0.87 3.86 6.12 0.00 0.46 -5.02 105.19 112.57 2vm3 n GLY 185 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2vm3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vm3 s LYS 186 N -0.00 3.92 0.35 1.61 1.02 -1.26 -4.81 119.74 120.56 2vm3 s LYS 186 Ca 0.00 0.48 -0.28 0.00 0.02 0.00 0.00 55.97 56.18 2vm3 s LYS 186 Cb 0.00 -2.58 -0.11 0.00 -0.52 0.00 0.00 37.83 34.62 2vm3 s LYS 186 CO 0.00 0.26 1.37 0.71 -0.92 0.00 0.00 175.35 176.77 2vm3 s TYR 187 N -1.85 2.90 0.32 3.18 2.02 -1.26 -0.81 117.35 121.85 2vm3 s TYR 187 Ca 0.49 1.33 -0.26 0.00 -0.37 0.00 0.00 57.07 58.27 2vm3 s TYR 187 Cb -0.11 -3.79 -0.10 0.00 -0.40 0.00 0.00 41.96 37.56 2vm3 s TYR 187 CO 0.19 -2.23 0.96 0.15 -1.57 0.00 0.00 175.55 173.05 2vm3 s LYS 188 N -1.88 4.57 -0.19 -0.62 1.02 -0.24 -4.81 119.74 117.59 2vm3 s LYS 188 Ca 0.50 1.37 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 2vm3 s LYS 188 Cb -0.42 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2vm3 s LYS 188 CO 0.56 0.26 -0.10 0.34 -0.92 0.00 0.00 175.35 175.49 2vm3 s ASP 189 N -1.56 3.95 -0.13 2.83 -1.08 -1.26 -4.74 116.67 114.68 2vm3 s ASP 189 Ca 0.50 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 52.05 2vm3 s ASP 189 Cb -0.20 -1.65 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 2vm3 s ASP 189 CO 0.25 0.02 0.02 -0.31 0.52 0.00 0.00 175.17 175.67 2vm3 s TYR 190 N 1.19 3.19 0.27 -5.34 2.02 -1.26 -5.01 117.35 112.40 2vm3 s TYR 190 Ca 0.02 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 2vm3 s TYR 190 Cb -0.14 -1.90 0.37 0.00 -0.40 0.00 0.00 41.96 39.88 2vm3 s TYR 190 CO -0.04 0.31 1.69 0.00 -1.57 0.00 0.00 175.55 175.94 2vm3 h ALA 191 N 5.83 1.04 -2.25 3.71 0.00 -1.99 -3.45 119.26 122.14 2vm3 h ALA 191 Ca -0.44 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 53.87 2vm3 h ALA 191 Cb 1.19 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 2vm3 h ALA 191 CO 0.60 0.58 -0.70 0.95 0.00 0.00 0.00 179.25 180.69 2vm3 s THR 192 N -4.40 0.70 0.15 0.00 -4.23 -1.26 -5.06 115.64 101.54 2vm3 s THR 192 Ca -0.07 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 2vm3 s THR 192 Cb 0.13 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.32 2vm3 s THR 192 CO 0.80 -0.86 1.72 0.25 -0.54 0.00 0.00 174.62 175.98 2vm3 h LEU 193 N 2.99 -0.09 -1.08 4.79 5.85 -1.94 -2.86 115.31 122.96 2vm3 h LEU 193 Ca -0.35 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.54 2vm3 h LEU 193 Cb 1.17 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2vm3 h LEU 193 CO 0.64 -0.01 0.62 0.00 -0.34 0.00 0.00 178.44 179.35 2vm3 h ALA 194 N 1.25 1.57 0.00 1.25 0.00 -1.98 -1.85 119.26 119.48 2vm3 h ALA 194 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vm3 h ALA 194 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vm3 h ALA 194 CO -0.22 0.22 -0.09 0.93 0.00 0.00 0.00 179.25 180.08 2vm3 h GLU 195 N 0.96 0.00 0.00 0.00 5.08 -1.93 -2.70 114.58 116.00 2vm3 h GLU 195 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2vm3 h GLU 195 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2vm3 h GLU 195 CO -0.23 0.09 0.00 0.66 -1.00 0.00 0.00 179.01 178.54 2vm3 h SER 196 N 0.00 0.00 0.73 1.42 4.64 -1.32 -3.41 113.55 115.60 2vm3 h SER 196 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2vm3 h SER 196 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2vm3 h SER 196 CO 0.01 0.00 -0.40 0.22 -0.87 0.00 0.00 176.83 175.79 2vm3 h TYR 197 N 0.00 -1.06 -0.62 4.77 3.20 -1.53 -2.09 116.97 119.65 2vm3 h TYR 197 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2vm3 h TYR 197 Cb 0.71 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2vm3 h TYR 197 CO 0.00 -0.62 0.38 0.78 -1.64 0.00 0.00 178.16 177.06 2vm3 h GLY 198 N -1.04 0.88 1.15 1.82 0.00 -1.80 -1.55 103.07 102.53 2vm3 h GLY 198 Ca -0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2vm3 h GLY 198 CO 0.13 0.25 0.14 -0.55 0.00 0.00 0.00 176.54 176.51 2vm3 h ASP 199 N 0.75 0.99 -0.44 0.19 3.32 -1.84 -2.85 116.42 116.55 2vm3 h ASP 199 Ca 0.25 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2vm3 h ASP 199 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2vm3 h ASP 199 CO -0.10 0.97 0.07 0.74 -1.72 0.00 0.00 179.24 179.20 2vm3 h THR 200 N 0.99 1.24 -0.89 0.35 2.02 -0.74 -2.65 112.91 113.24 2vm3 h THR 200 Ca 0.21 -0.89 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2vm3 h THR 200 Cb 0.38 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 2vm3 h THR 200 CO 0.00 0.31 0.56 0.58 0.37 0.00 0.00 175.52 177.35 2vm3 h VAL 201 N 0.59 1.07 -0.56 3.16 2.07 -1.19 0.25 116.25 121.64 2vm3 h VAL 201 Ca 0.13 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2vm3 h VAL 201 Cb 0.38 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2vm3 h VAL 201 CO 0.01 0.19 0.36 1.56 0.02 0.00 0.00 177.57 179.71 2vm3 h GLN 202 N 1.03 0.71 -0.17 1.57 1.08 -1.27 -0.32 115.11 117.74 2vm3 h GLN 202 Ca 0.38 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 2vm3 h GLN 202 Cb 0.14 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2vm3 h GLN 202 CO -0.16 0.47 0.01 0.28 -0.95 0.00 0.00 178.83 178.48 2vm3 h VAL 203 N 0.73 1.24 -0.73 -0.54 2.07 -1.03 -3.08 116.25 114.90 2vm3 h VAL 203 Ca 0.21 -0.80 0.16 0.00 0.82 0.00 0.00 66.70 67.10 2vm3 h VAL 203 Cb -0.05 1.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.05 2vm3 h VAL 203 CO -0.07 0.24 0.08 0.24 0.02 0.00 0.00 177.57 178.08 2vm3 h MET 204 N 0.05 0.16 0.00 1.57 2.86 0.06 -1.39 114.93 118.24 2vm3 h MET 204 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2vm3 h MET 204 Cb 0.35 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2vm3 h MET 204 CO 0.01 0.11 0.00 0.00 1.06 0.00 0.00 176.91 178.08 2vm3 h ARG 205 N 0.16 0.00 0.00 1.72 3.08 -0.98 -0.04 114.38 118.32 2vm3 h ARG 205 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2vm3 h ARG 205 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2vm3 h ARG 205 CO -0.59 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.10 2vm3 h THR 206 N 0.00 0.00 -0.38 2.04 1.35 -1.27 -3.47 112.91 111.19 2vm3 h THR 206 Ca 0.00 -0.46 -0.16 0.00 -0.55 0.00 0.00 66.41 65.24 2vm3 h THR 206 Cb 0.22 1.35 -0.06 0.00 -1.73 0.00 0.00 68.15 67.93 2vm3 h THR 206 CO 0.00 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.30 2vm3 n LEU 207 N -2.52 -0.12 -4.29 3.87 4.77 -0.03 -4.98 117.00 113.71 2vm3 n LEU 207 Ca 0.03 0.20 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 2vm3 n LEU 207 Cb 0.34 -2.31 -0.12 0.00 -2.33 0.00 0.00 43.42 39.00 2vm3 n LEU 207 CO 0.26 -0.87 -0.25 -0.89 -1.33 0.00 0.00 177.39 174.31 2vm3 s THR 208 N -1.84 3.86 0.49 -5.08 2.01 -1.26 -5.09 115.64 108.74 2vm3 s THR 208 Ca 0.00 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 60.73 2vm3 s THR 208 Cb 0.00 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 2vm3 s THR 208 CO 0.00 -0.15 1.16 -2.84 -0.69 0.00 0.00 174.62 172.10 2vm3 s PRO 209 N 1.43 3.58 0.09 4.92 0.02 -1.26 -4.88 135.00 138.89 2vm3 s PRO 209 Ca -0.01 1.74 0.06 0.00 0.02 0.00 0.00 61.00 62.81 2vm3 s PRO 209 Cb -0.19 -2.25 -0.22 0.00 0.02 0.00 0.00 34.50 31.86 2vm3 s PRO 209 CO 0.03 -0.69 1.18 0.66 -0.33 0.00 0.00 177.00 177.85 2vm3 h SER 210 N 1.70 0.06 -4.85 2.53 4.64 -1.10 -3.47 113.55 113.07 2vm3 h SER 210 Ca -0.50 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 60.60 2vm3 h SER 210 Cb 1.26 -0.02 -0.21 0.00 -0.31 0.00 0.00 62.40 63.11 2vm3 h SER 210 CO 0.59 1.05 -0.53 -1.00 -0.87 0.00 0.00 176.83 176.07 2vm3 s HIS 211 N -2.69 0.05 -0.15 4.77 3.76 -1.20 -4.92 115.29 114.90 2vm3 s HIS 211 Ca -0.01 -0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 2vm3 s HIS 211 Cb 0.09 -0.06 0.05 0.00 1.11 0.00 0.00 32.58 33.77 2vm3 s HIS 211 CO 0.83 -0.25 0.01 0.42 -0.85 0.00 0.00 174.74 174.89 2vm3 s ILE 212 N -1.24 0.63 0.06 0.60 1.01 0.06 -0.53 121.20 121.80 2vm3 s ILE 212 Ca -0.13 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2vm3 s ILE 212 Cb -0.07 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2vm3 s ILE 212 CO 0.01 -0.00 -0.19 0.68 0.00 0.00 0.00 174.94 175.43 2vm3 s VAL 213 N 1.83 1.58 0.01 2.92 -7.23 -0.47 -0.17 120.40 118.87 2vm3 s VAL 213 Ca 0.01 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.64 2vm3 s VAL 213 Cb -0.15 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2vm3 s VAL 213 CO -0.07 0.06 0.73 -0.36 -0.31 0.00 0.00 175.10 175.15 2vm3 s PHE 214 N -0.96 3.69 -1.42 2.82 0.08 -1.26 -0.46 117.98 120.48 2vm3 s PHE 214 Ca 0.06 1.39 -0.07 0.00 0.12 0.00 0.00 56.93 58.43 2vm3 s PHE 214 Cb -0.09 -2.79 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2vm3 s PHE 214 CO 0.03 0.23 0.54 0.09 -0.10 0.00 0.00 175.22 176.01 2vm3 n ASN 215 N 3.06 -4.97 0.00 1.36 4.13 0.62 -3.14 115.26 116.32 2vm3 n ASN 215 Ca -0.03 -0.32 0.00 0.00 1.68 0.00 0.00 54.58 55.91 2vm3 n ASN 215 Cb 0.51 -4.06 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 2vm3 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vm3 n GLY 216 N -1.35 0.56 3.57 7.41 0.00 -1.22 -4.67 105.19 109.49 2vm3 n GLY 216 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2vm3 n GLY 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vm3 s LYS 217 N -0.81 0.91 0.16 1.61 2.20 -1.19 -4.60 119.74 118.02 2vm3 s LYS 217 Ca 0.00 0.57 -0.34 0.00 -0.36 0.00 0.00 55.97 55.84 2vm3 s LYS 217 Cb 0.00 0.44 -0.14 0.00 -1.51 0.00 0.00 37.83 36.61 2vm3 s LYS 217 CO 0.00 -0.21 1.52 0.28 -0.36 0.00 0.00 175.35 176.57 2vm3 n VAL 218 N 1.69 0.12 -0.96 4.02 0.31 -0.15 -1.56 118.33 121.81 2vm3 n VAL 218 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2vm3 n VAL 218 Cb 0.56 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2vm3 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vm3 n GLY 219 N 3.11 0.45 0.34 2.92 0.00 -1.26 -4.82 105.19 105.92 2vm3 n GLY 219 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.37 2vm3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 h ALA 220 N 0.00 1.79 -1.01 4.61 0.00 -1.51 -1.89 119.26 121.25 2vm3 h ALA 220 Ca 0.00 0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.40 2vm3 h ALA 220 Cb 0.22 0.09 -0.33 0.00 0.00 0.00 0.00 17.79 17.76 2vm3 h ALA 220 CO 0.00 -0.38 0.34 1.28 0.00 0.00 0.00 179.25 180.49 2vm3 n LEU 221 N -4.97 6.68 -4.37 0.00 4.77 -1.26 -4.70 117.00 113.15 2vm3 n LEU 221 Ca 0.28 -4.64 -0.18 0.00 -0.03 0.00 0.00 56.01 51.43 2vm3 n LEU 221 Cb 0.81 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2vm3 n LEU 221 CO 0.13 1.78 -0.28 0.42 -1.33 0.00 0.00 177.39 178.11 2vm3 s THR 222 N -4.93 0.90 0.00 -5.08 -4.23 -0.71 -0.64 115.64 100.95 2vm3 s THR 222 Ca 0.57 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2vm3 s THR 222 Cb 0.46 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2vm3 s THR 222 CO -0.12 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2vm3 n GLY 223 N -0.53 3.64 0.34 3.99 0.00 -1.26 -1.01 105.19 110.35 2vm3 n GLY 223 Ca -0.02 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2vm3 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 h ALA 224 N -0.85 2.02 -0.53 4.61 0.00 -1.96 -2.06 119.26 120.48 2vm3 h ALA 224 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2vm3 h ALA 224 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2vm3 h ALA 224 CO 0.00 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 178.99 2vm3 n ASN 225 N -4.07 3.65 -4.61 0.00 3.02 -0.18 -4.98 115.26 108.10 2vm3 n ASN 225 Ca 0.03 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 2vm3 n ASN 225 Cb 0.37 -0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2vm3 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vm3 n ALA 226 N 1.51 0.13 -1.25 5.41 0.00 -0.78 -3.98 120.51 121.55 2vm3 n ALA 226 Ca 0.21 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 2vm3 n ALA 226 Cb 0.60 -2.09 0.09 0.00 0.00 0.00 0.00 19.45 18.06 2vm3 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vm3 s LEU 227 N -1.34 3.05 0.07 0.00 1.43 -0.37 -4.84 118.68 116.68 2vm3 s LEU 227 Ca 0.71 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 2vm3 s LEU 227 Cb -0.46 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.20 2vm3 s LEU 227 CO 0.51 -2.06 -0.10 0.42 0.23 0.00 0.00 176.35 175.36 2vm3 s THR 228 N -2.85 0.78 0.32 5.49 -4.23 -1.26 -0.27 115.64 113.62 2vm3 s THR 228 Ca 0.62 -1.36 -0.18 0.00 -1.18 0.00 0.00 61.69 59.58 2vm3 s THR 228 Cb -0.18 -1.01 0.05 0.00 1.34 0.00 0.00 72.50 72.70 2vm3 s THR 228 CO 0.55 -0.44 0.80 0.00 -0.54 0.00 0.00 174.62 174.99 2vm3 s ALA 229 N -1.85 -1.02 0.13 3.99 0.00 -0.86 -4.92 121.76 117.22 2vm3 s ALA 229 Ca -0.02 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.49 2vm3 s ALA 229 Cb -0.07 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2vm3 s ALA 229 CO 0.00 -1.01 -0.18 -1.59 0.00 0.00 0.00 175.76 172.98 2vm3 s LYS 230 N -2.84 1.15 0.15 0.00 -2.85 -1.26 -0.86 119.74 113.23 2vm3 s LYS 230 Ca 0.14 -1.27 -0.33 0.00 -1.00 0.00 0.00 55.97 53.51 2vm3 s LYS 230 Cb -0.05 -1.25 -0.17 0.00 -2.06 0.00 0.00 37.83 34.30 2vm3 s LYS 230 CO 0.09 0.27 1.06 0.28 0.10 0.00 0.00 175.35 177.15 2vm3 n VAL 231 N 0.67 0.89 -0.02 1.79 0.31 0.66 -1.54 118.33 121.09 2vm3 n VAL 231 Ca -0.16 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2vm3 n VAL 231 Cb 0.56 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2vm3 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vm3 n GLY 232 N 1.93 1.83 3.83 2.92 0.00 0.41 -4.98 105.19 111.12 2vm3 n GLY 232 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2vm3 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vm3 s GLU 233 N -0.38 3.98 -0.24 1.61 2.12 -0.59 -4.85 118.70 120.36 2vm3 s GLU 233 Ca 0.00 0.49 -0.10 0.00 0.36 0.00 0.00 54.97 55.72 2vm3 s GLU 233 Cb 0.00 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 2vm3 s GLU 233 CO 0.00 0.67 0.14 0.99 -0.54 0.00 0.00 175.26 176.52 2vm3 s THR 234 N -1.11 5.22 -0.01 -1.70 2.01 -1.26 -1.92 115.64 116.86 2vm3 s THR 234 Ca 0.26 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2vm3 s THR 234 Cb -0.17 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2vm3 s THR 234 CO 0.15 0.35 -0.01 0.68 -0.69 0.00 0.00 174.62 175.11 2vm3 s VAL 235 N 1.07 4.11 -0.24 3.82 -7.23 0.12 0.16 120.40 122.21 2vm3 s VAL 235 Ca 0.07 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.58 2vm3 s VAL 235 Cb -0.14 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2vm3 s VAL 235 CO 0.04 0.41 0.12 -0.22 -0.31 0.00 0.00 175.10 175.15 2vm3 s LEU 236 N -1.44 3.84 -0.38 1.32 2.96 0.34 -1.74 118.68 123.58 2vm3 s LEU 236 Ca 0.18 -0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 2vm3 s LEU 236 Cb -0.11 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.60 2vm3 s LEU 236 CO 0.09 0.02 0.18 -0.76 -1.32 0.00 0.00 176.35 174.56 2vm3 s LEU 237 N 1.29 4.72 -0.12 -0.68 1.43 -0.09 -0.16 118.68 125.07 2vm3 s LEU 237 Ca 0.06 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.63 2vm3 s LEU 237 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2vm3 s LEU 237 CO 0.05 -0.42 0.61 -0.63 0.23 0.00 0.00 176.35 176.19 2vm3 s ILE 238 N 1.41 5.08 -0.16 -0.59 1.01 -0.35 -1.55 121.20 126.05 2vm3 s ILE 238 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2vm3 s ILE 238 Cb -0.21 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.35 2vm3 s ILE 238 CO 0.02 0.23 -0.10 -2.28 0.00 0.00 0.00 174.94 172.82 2vm3 s HIS 239 N 1.09 1.97 -0.03 3.97 2.46 -0.48 -0.20 115.29 124.07 2vm3 s HIS 239 Ca 0.31 -1.18 0.03 0.00 0.47 0.00 0.00 55.06 54.69 2vm3 s HIS 239 Cb -0.16 -1.46 -0.03 0.00 -0.13 0.00 0.00 32.58 30.79 2vm3 s HIS 239 CO 0.13 -0.64 -0.08 -1.54 -2.47 0.00 0.00 174.74 170.14 2vm3 s SER 240 N 1.55 4.52 -0.24 9.88 1.04 0.13 -1.40 113.70 129.18 2vm3 s SER 240 Ca 0.02 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.30 2vm3 s SER 240 Cb -0.14 -1.06 0.09 0.00 0.10 0.00 0.00 66.02 65.01 2vm3 s SER 240 CO -0.09 0.32 0.16 -1.58 0.98 0.00 0.00 173.24 173.03 2vm3 s GLN 241 N -1.10 0.17 0.05 4.02 -0.44 -0.64 -1.27 119.66 120.46 2vm3 s GLN 241 Ca 0.14 -0.19 0.28 0.00 -2.50 0.00 0.00 55.36 53.09 2vm3 s GLN 241 Cb -0.11 -1.28 1.09 0.00 -1.64 0.00 0.00 33.01 31.06 2vm3 s GLN 241 CO 0.04 -0.85 1.86 0.00 0.50 0.00 0.00 175.29 176.84 2vm3 n ALA 242 N 5.28 2.39 0.00 1.58 0.00 -1.26 0.07 120.51 128.57 2vm3 n ALA 242 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2vm3 n ALA 242 Cb 0.46 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2vm3 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2vm3 n ASN 243 N -1.69 2.03 -3.82 0.00 5.15 -1.26 -3.05 115.26 112.61 2vm3 n ASN 243 Ca 0.07 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.92 2vm3 n ASN 243 Cb 0.36 0.33 -0.09 0.00 -0.53 0.00 0.00 39.78 39.85 2vm3 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2vm3 s ARG 244 N -1.04 0.54 0.56 1.20 3.52 -1.26 -4.68 118.95 117.79 2vm3 s ARG 244 Ca 0.00 -0.25 -0.20 0.00 -0.13 0.00 0.00 55.73 55.14 2vm3 s ARG 244 Cb 0.00 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.58 2vm3 s ARG 244 CO 0.00 -0.14 1.25 -0.51 -0.81 0.00 0.00 175.30 175.10 2vm3 s ASP 245 N -1.23 5.34 0.20 -2.12 1.01 -1.26 -3.62 116.67 114.98 2vm3 s ASP 245 Ca -0.13 2.51 -0.06 0.00 0.71 0.00 0.00 52.55 55.59 2vm3 s ASP 245 Cb -0.06 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2vm3 s ASP 245 CO 0.03 -1.50 0.25 0.28 0.21 0.00 0.00 175.17 174.43 2vm3 s THR 246 N -1.47 0.02 -0.42 -1.27 -1.32 -0.53 -4.88 115.64 105.77 2vm3 s THR 246 Ca 0.74 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 59.53 2vm3 s THR 246 Cb -0.34 -2.26 0.16 0.00 -1.51 0.00 0.00 72.50 68.56 2vm3 s THR 246 CO 0.38 -0.10 0.33 0.00 -2.21 0.00 0.00 174.62 173.03 2vm3 s ARG 247 N -4.08 0.97 0.54 7.08 1.70 -1.26 -0.89 118.95 123.02 2vm3 s ARG 247 Ca 0.29 -2.08 -0.21 0.00 -0.47 0.00 0.00 55.73 53.26 2vm3 s ARG 247 Cb 0.04 -1.57 -0.05 0.00 -0.57 0.00 0.00 34.95 32.81 2vm3 s ARG 247 CO 0.08 -1.35 1.28 -2.14 -1.08 0.00 0.00 175.30 172.09 2vm3 s PRO 248 N 0.11 3.22 -0.15 3.89 0.02 -1.15 -0.63 135.00 140.31 2vm3 s PRO 248 Ca 0.30 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.22 2vm3 s PRO 248 Cb -0.02 -2.20 0.04 0.00 0.02 0.00 0.00 34.50 32.34 2vm3 s PRO 248 CO -0.16 -1.07 0.40 -1.58 -0.33 0.00 0.00 177.00 174.27 2vm3 s HIS 249 N -1.42 -0.47 -0.30 6.54 2.46 -0.15 -1.56 115.29 120.39 2vm3 s HIS 249 Ca 0.71 1.11 -0.06 0.00 0.47 0.00 0.00 55.06 57.29 2vm3 s HIS 249 Cb -0.36 0.17 0.02 0.00 -0.13 0.00 0.00 32.58 32.28 2vm3 s HIS 249 CO 0.41 -0.23 0.08 -1.17 -2.47 0.00 0.00 174.74 171.36 2vm3 s LEU 250 N 0.42 3.94 -0.06 8.88 2.96 -1.26 -1.38 118.68 132.17 2vm3 s LEU 250 Ca -0.02 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 2vm3 s LEU 250 Cb -0.04 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2vm3 s LEU 250 CO -0.02 -0.23 1.33 -0.63 -1.32 0.00 0.00 176.35 175.48 2vm3 s ILE 251 N 1.46 4.00 0.00 6.68 1.01 0.52 -1.34 121.20 133.53 2vm3 s ILE 251 Ca 0.01 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2vm3 s ILE 251 Cb -0.18 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2vm3 s ILE 251 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2vm3 n GLY 252 N 3.58 0.86 0.00 6.18 0.00 -1.26 -4.13 105.19 110.42 2vm3 n GLY 252 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2vm3 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vm3 n GLY 253 N -2.12 6.04 3.64 -0.02 0.00 -0.45 -5.01 105.19 107.27 2vm3 n GLY 253 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 2vm3 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vm3 s HIS 254 N -0.25 0.34 -0.54 1.61 0.09 -1.26 -4.73 115.29 110.56 2vm3 s HIS 254 Ca 0.00 -0.74 -0.20 0.00 -0.00 0.00 0.00 55.06 54.12 2vm3 s HIS 254 Cb 0.00 0.31 0.06 0.00 -0.00 0.00 0.00 32.58 32.95 2vm3 s HIS 254 CO 0.00 -1.12 0.71 0.20 -0.00 0.00 0.00 174.74 174.53 2vm3 s GLY 255 N -3.04 1.69 0.09 -2.22 0.00 0.20 -4.70 107.32 99.35 2vm3 s GLY 255 Ca 0.21 -1.75 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 2vm3 s GLY 255 CO 0.11 1.61 1.63 -0.55 0.00 0.00 0.00 173.10 175.90 2vm3 h ASP 256 N 9.11 0.23 -3.40 1.64 3.32 -1.07 -1.22 116.42 125.03 2vm3 h ASP 256 Ca -0.28 -0.16 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 2vm3 h ASP 256 Cb 1.09 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 2vm3 h ASP 256 CO 1.02 0.32 -0.76 0.26 -1.72 0.00 0.00 179.24 178.36 2vm3 s TRP 257 N -5.58 0.54 -0.04 4.55 0.52 -1.08 -2.87 118.94 114.98 2vm3 s TRP 257 Ca -0.14 -0.10 0.01 0.00 0.02 0.00 0.00 56.10 55.90 2vm3 s TRP 257 Cb 0.07 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.80 2vm3 s TRP 257 CO 0.70 -0.21 -0.06 0.08 0.02 0.00 0.00 176.95 177.48 2vm3 s VAL 258 N 1.36 0.62 -0.82 4.03 1.01 0.46 -0.25 120.40 126.80 2vm3 s VAL 258 Ca -0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2vm3 s VAL 258 Cb -0.13 -0.62 0.21 0.00 0.00 0.00 0.00 36.38 35.84 2vm3 s VAL 258 CO -0.02 0.24 0.71 0.26 0.00 0.00 0.00 175.10 176.28 2vm3 s TRP 259 N 0.81 3.75 0.35 5.22 0.51 -0.31 -0.98 118.94 128.28 2vm3 s TRP 259 Ca -0.12 -2.67 0.11 0.00 -2.12 0.00 0.00 56.10 51.30 2vm3 s TRP 259 Cb -0.14 -3.42 0.63 0.00 -0.81 0.00 0.00 33.47 29.73 2vm3 s TRP 259 CO 0.01 -0.85 1.79 1.05 -0.51 0.00 0.00 176.95 178.43 2vm3 h GLU 260 N 6.80 0.08 0.00 4.98 4.11 -1.86 -0.61 114.58 128.07 2vm3 h GLU 260 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2vm3 h GLU 260 Cb 0.91 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2vm3 h GLU 260 CO 0.80 0.45 -0.10 0.25 0.07 0.00 0.00 179.01 180.49 2vm3 n THR 261 N -4.07 0.25 -0.95 -1.06 -2.24 -1.26 -4.32 114.28 100.63 2vm3 n THR 261 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2vm3 n THR 261 Cb 0.43 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2vm3 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vm3 n GLY 262 N 1.42 0.44 3.09 3.38 0.00 -0.28 -4.78 105.19 108.45 2vm3 n GLY 262 Ca 0.06 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 2vm3 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vm3 s LYS 263 N -1.89 2.34 0.32 1.61 -0.14 -1.26 -0.22 119.74 120.51 2vm3 s LYS 263 Ca 0.00 -1.28 0.26 0.00 -1.36 0.00 0.00 55.97 53.58 2vm3 s LYS 263 Cb 0.00 -2.89 1.11 0.00 -1.68 0.00 0.00 37.83 34.36 2vm3 s LYS 263 CO 0.00 -0.54 1.77 0.74 -0.76 0.00 0.00 175.35 176.56 2vm3 h PHE 264 N 7.82 0.00 0.00 3.18 0.04 -1.89 -2.00 116.94 124.08 2vm3 h PHE 264 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2vm3 h PHE 264 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2vm3 h PHE 264 CO 0.62 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.33 2vm3 n ALA 265 N -1.83 1.97 -2.50 2.45 0.00 -1.26 -4.73 120.51 114.61 2vm3 n ALA 265 Ca 0.01 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 2vm3 n ALA 265 Cb 0.22 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2vm3 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2vm3 s ASN 266 N -3.19 6.65 0.35 0.00 0.01 -0.76 -5.06 114.94 112.95 2vm3 s ASN 266 Ca 0.10 0.85 -0.28 0.00 -0.71 0.00 0.00 52.86 52.82 2vm3 s ASN 266 Cb 0.14 -2.20 -0.11 0.00 0.41 0.00 0.00 41.25 39.49 2vm3 s ASN 266 CO 0.40 0.07 1.37 -2.16 -1.51 0.00 0.00 177.10 175.28 2vm3 s PRO 267 N -2.28 4.26 0.69 -0.60 0.04 -1.26 -4.97 135.00 130.89 2vm3 s PRO 267 Ca 0.39 2.34 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 2vm3 s PRO 267 Cb -0.13 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2vm3 s PRO 267 CO 0.20 -0.31 1.06 -1.25 0.04 0.00 0.00 177.00 176.74 2vm3 s PRO 268 N -1.91 2.96 0.12 0.56 0.04 -1.26 -4.94 135.00 130.57 2vm3 s PRO 268 Ca 0.50 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 2vm3 s PRO 268 Cb -0.42 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2vm3 s PRO 268 CO 0.57 -1.05 0.33 -0.65 0.04 0.00 0.00 177.00 176.23 2vm3 s GLN 269 N -5.11 3.56 0.23 4.56 -0.21 -0.16 -4.69 119.66 117.83 2vm3 s GLN 269 Ca 0.58 -0.21 0.09 0.00 0.02 0.00 0.00 55.36 55.83 2vm3 s GLN 269 Cb -0.13 -2.90 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 2vm3 s GLN 269 CO 0.54 0.50 -0.02 -0.98 -2.12 0.00 0.00 175.29 173.22 2vm3 s ARG 270 N -2.67 2.27 -1.11 2.91 1.70 -1.26 -0.41 118.95 120.38 2vm3 s ARG 270 Ca 0.39 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 2vm3 s ARG 270 Cb -0.12 -2.21 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 2vm3 s ARG 270 CO 0.26 0.40 0.00 -0.25 -1.08 0.00 0.00 175.30 174.63 2vm3 n ASP 271 N -0.54 -4.26 -4.77 -2.89 8.00 -0.80 -4.97 116.55 106.32 2vm3 n ASP 271 Ca -0.08 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 2vm3 n ASP 271 Cb 0.57 -2.69 -0.02 0.00 -0.02 0.00 0.00 41.12 38.97 2vm3 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vm3 s LEU 272 N -2.40 4.39 -0.09 0.64 1.43 -0.53 -4.75 118.68 117.37 2vm3 s LEU 272 Ca 0.00 2.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 2vm3 s LEU 272 Cb 0.00 -3.65 -0.28 0.00 0.03 0.00 0.00 46.19 42.29 2vm3 s LEU 272 CO 0.00 -0.67 0.70 1.05 0.23 0.00 0.00 176.35 177.66 2vm3 h GLU 273 N 3.52 0.22 -3.33 1.70 4.11 -1.91 0.61 114.58 119.50 2vm3 h GLU 273 Ca -0.49 -0.38 -0.22 0.00 0.07 0.00 0.00 59.36 58.34 2vm3 h GLU 273 Cb 1.23 0.14 -0.29 0.00 0.50 0.00 0.00 28.75 30.33 2vm3 h GLU 273 CO 0.67 1.18 -0.58 0.99 0.07 0.00 0.00 179.01 181.34 2vm3 s THR 274 N -2.42 -0.02 0.46 -1.06 2.01 -1.26 -4.25 115.64 109.09 2vm3 s THR 274 Ca -0.18 0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.93 2vm3 s THR 274 Cb 0.02 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.33 2vm3 s THR 274 CO 0.77 0.04 0.15 -2.67 -0.69 0.00 0.00 174.62 172.22 2vm3 n TRP 275 N 3.60 0.28 -3.85 4.92 2.14 -0.60 -4.99 117.44 118.93 2vm3 n TRP 275 Ca -0.19 -2.10 -0.25 0.00 2.07 0.00 0.00 57.50 57.02 2vm3 n TRP 275 Cb 0.55 -0.33 -0.17 0.00 -0.81 0.00 0.00 31.31 30.55 2vm3 n TRP 275 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 2vm3 s PHE 276 N -2.49 1.15 -0.32 -2.67 5.36 -1.26 -2.94 117.98 114.80 2vm3 s PHE 276 Ca 0.12 -0.50 -0.10 0.00 -0.96 0.00 0.00 56.93 55.48 2vm3 s PHE 276 Cb -0.01 -1.05 -0.01 0.00 -0.34 0.00 0.00 43.02 41.61 2vm3 s PHE 276 CO 0.07 -0.44 0.17 0.42 -1.46 0.00 0.00 175.22 173.99 2vm3 s ILE 277 N 1.81 4.72 0.24 3.12 -1.09 -0.06 -4.54 121.20 125.39 2vm3 s ILE 277 Ca 0.05 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 57.77 2vm3 s ILE 277 Cb -0.12 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 2vm3 s ILE 277 CO -0.07 0.04 1.33 -0.13 -1.23 0.00 0.00 174.94 174.88 2vm3 s ARG 278 N 1.63 4.37 0.10 2.79 0.52 -1.26 -1.45 118.95 125.65 2vm3 s ARG 278 Ca 0.05 2.12 -0.35 0.00 -0.52 0.00 0.00 55.73 57.03 2vm3 s ARG 278 Cb -0.17 -3.15 -0.15 0.00 0.52 0.00 0.00 34.95 32.00 2vm3 s ARG 278 CO 0.07 -0.26 1.52 0.41 0.02 0.00 0.00 175.30 177.07 2vm3 n GLY 279 N 2.00 0.91 0.96 -3.53 0.00 -1.24 -1.58 105.19 102.71 2vm3 n GLY 279 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2vm3 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vm3 n GLY 280 N 3.20 1.06 3.52 -0.02 0.00 0.11 -4.74 105.19 108.32 2vm3 n GLY 280 Ca 0.18 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2vm3 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vm3 s SER 281 N -2.48 -0.11 0.01 1.61 1.04 -0.61 -4.80 113.70 108.36 2vm3 s SER 281 Ca 0.00 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.72 2vm3 s SER 281 Cb 0.00 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2vm3 s SER 281 CO 0.00 -1.06 -0.23 0.00 0.98 0.00 0.00 173.24 172.92 2vm3 s ALA 282 N -3.96 1.95 0.41 5.32 0.00 -1.26 -1.62 121.76 122.59 2vm3 s ALA 282 Ca 0.17 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2vm3 s ALA 282 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2vm3 s ALA 282 CO 0.04 0.46 0.05 0.20 0.00 0.00 0.00 175.76 176.52 2vm3 s GLY 283 N -0.87 2.52 -0.11 0.00 0.00 -0.49 -3.83 107.32 104.53 2vm3 s GLY 283 Ca 0.09 -1.51 -0.07 0.00 0.00 0.00 0.00 44.72 43.24 2vm3 s GLY 283 CO 0.01 -1.96 0.26 0.00 0.00 0.00 0.00 173.10 171.40 2vm3 s ALA 284 N -3.07 -0.62 -0.01 3.20 0.00 -0.94 -1.38 121.76 118.95 2vm3 s ALA 284 Ca 0.26 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.23 2vm3 s ALA 284 Cb 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2vm3 s ALA 284 CO 0.13 -0.18 -0.16 0.00 0.00 0.00 0.00 175.76 175.55 2vm3 s ALA 285 N 0.97 1.32 -0.13 0.00 0.00 -0.60 -1.16 121.76 122.16 2vm3 s ALA 285 Ca -0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2vm3 s ALA 285 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2vm3 s ALA 285 CO -0.06 0.32 0.07 -0.51 0.00 0.00 0.00 175.76 175.58 2vm3 s LEU 286 N -0.41 3.94 -0.02 0.00 1.43 0.65 -0.91 118.68 123.37 2vm3 s LEU 286 Ca 0.06 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2vm3 s LEU 286 Cb -0.06 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2vm3 s LEU 286 CO -0.00 0.33 0.03 -0.47 0.23 0.00 0.00 176.35 176.47 2vm3 s TYR 287 N -0.55 -0.01 -0.26 0.29 5.04 -0.71 -0.46 117.35 120.69 2vm3 s TYR 287 Ca 0.11 0.12 -0.09 0.00 -2.44 0.00 0.00 57.07 54.77 2vm3 s TYR 287 Cb -0.12 -0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.06 2vm3 s TYR 287 CO 0.02 -0.05 0.12 0.99 -1.34 0.00 0.00 175.55 175.29 2vm3 s THR 288 N 0.52 4.73 0.26 4.34 2.01 -1.26 -0.70 115.64 125.55 2vm3 s THR 288 Ca -0.04 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 2vm3 s THR 288 Cb -0.06 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 2vm3 s THR 288 CO -0.02 0.29 1.25 -0.36 -0.69 0.00 0.00 174.62 175.10 2vm3 s PHE 289 N 1.68 3.27 0.00 4.92 0.08 -0.81 -4.90 117.98 122.22 2vm3 s PHE 289 Ca 0.07 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.53 2vm3 s PHE 289 Cb -0.16 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 2vm3 s PHE 289 CO 0.07 -1.52 0.00 1.63 -0.10 0.00 0.00 175.22 175.30 2vm3 n LYS 290 N 1.65 1.39 -4.60 0.44 5.02 -1.26 -0.45 118.16 120.35 2vm3 n LYS 290 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 2vm3 n LYS 290 Cb 0.43 -0.88 -0.14 0.00 -0.02 0.00 0.00 35.03 34.42 2vm3 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2vm3 s GLN 291 N -1.60 1.23 0.77 1.97 -1.52 -1.26 -4.62 119.66 114.63 2vm3 s GLN 291 Ca 0.00 -0.75 -0.12 0.00 -1.95 0.00 0.00 55.36 52.54 2vm3 s GLN 291 Cb 0.00 -1.25 0.05 0.00 -0.22 0.00 0.00 33.01 31.59 2vm3 s GLN 291 CO 0.00 0.33 1.15 -1.25 -0.25 0.00 0.00 175.29 175.26 2vm3 s PRO 292 N -0.87 2.31 0.00 2.91 0.04 -1.26 -4.78 135.00 133.35 2vm3 s PRO 292 Ca 0.05 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2vm3 s PRO 292 Cb -0.08 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2vm3 s PRO 292 CO 0.01 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2vm3 n GLY 293 N -3.18 0.85 3.56 0.56 0.00 0.30 -4.94 105.19 102.34 2vm3 n GLY 293 Ca 0.08 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2vm3 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vm3 s VAL 294 N -0.97 5.26 0.19 1.61 1.01 -1.26 -0.34 120.40 125.90 2vm3 s VAL 294 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2vm3 s VAL 294 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2vm3 s VAL 294 CO 0.00 0.10 0.33 -0.31 0.00 0.00 0.00 175.10 175.21 2vm3 s TYR 295 N 1.83 3.47 -0.09 5.22 1.51 0.44 -4.93 117.35 124.80 2vm3 s TYR 295 Ca 0.08 0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2vm3 s TYR 295 Cb -0.17 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2vm3 s TYR 295 CO 0.11 0.47 -0.03 0.00 -1.11 0.00 0.00 175.55 174.99 2vm3 s ALA 296 N -1.86 3.14 -0.19 3.71 0.00 -1.26 -0.79 121.76 124.52 2vm3 s ALA 296 Ca 0.35 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2vm3 s ALA 296 Cb -0.10 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2vm3 s ALA 296 CO 0.29 0.54 -0.18 -0.47 0.00 0.00 0.00 175.76 175.94 2vm3 s TYR 297 N -0.73 2.81 0.17 0.00 5.04 0.26 -0.36 117.35 124.55 2vm3 s TYR 297 Ca 0.11 -1.73 -0.14 0.00 -2.44 0.00 0.00 57.07 52.88 2vm3 s TYR 297 Cb -0.11 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.31 2vm3 s TYR 297 CO 0.02 -0.81 0.40 -0.48 -1.34 0.00 0.00 175.55 173.34 2vm3 s LEU 298 N 1.27 0.52 -0.18 6.97 0.05 -0.48 -0.17 118.68 126.67 2vm3 s LEU 298 Ca 0.03 -0.61 -0.29 0.00 0.05 0.00 0.00 54.13 53.30 2vm3 s LEU 298 Cb -0.14 1.69 -0.01 0.00 -2.05 0.00 0.00 46.19 45.68 2vm3 s LEU 298 CO -0.12 -0.95 1.27 0.21 -0.55 0.00 0.00 176.35 176.21 2vm3 s ASN 299 N -2.90 6.92 -0.07 1.48 3.84 -0.58 -0.97 114.94 122.67 2vm3 s ASN 299 Ca 0.11 1.66 0.03 0.00 0.21 0.00 0.00 52.86 54.87 2vm3 s ASN 299 Cb 0.01 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.36 2vm3 s ASN 299 CO -0.03 -0.79 0.88 1.57 -2.79 0.00 0.00 177.10 175.93 2vm3 n HIS 300 N 6.70 0.54 -2.79 0.43 -0.00 0.20 -4.01 115.22 116.29 2vm3 n HIS 300 Ca 0.14 -0.30 -0.43 0.00 -0.00 0.00 0.00 57.72 57.13 2vm3 n HIS 300 Cb 0.45 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 30.16 2vm3 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2vm3 s ASN 301 N -0.06 6.32 0.55 0.26 3.84 -1.26 -4.93 114.94 119.66 2vm3 s ASN 301 Ca 0.13 -0.39 0.33 0.00 0.21 0.00 0.00 52.86 53.14 2vm3 s ASN 301 Cb 0.10 -2.46 1.49 0.00 -0.55 0.00 0.00 41.25 39.84 2vm3 s ASN 301 CO 0.04 -1.33 2.04 -0.07 -2.79 0.00 0.00 177.10 174.99 2vm3 h LEU 302 N 11.27 0.00 0.03 3.21 3.38 -1.99 0.26 115.31 131.47 2vm3 h LEU 302 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2vm3 h LEU 302 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2vm3 h LEU 302 CO 1.13 0.06 -0.02 0.40 0.09 0.00 0.00 178.44 180.10 2vm3 h ILE 303 N 0.00 1.24 -0.84 1.22 2.04 -1.91 0.08 117.51 119.33 2vm3 h ILE 303 Ca -0.00 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.06 2vm3 h ILE 303 Cb 0.43 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 2vm3 h ILE 303 CO 0.01 0.22 0.55 -0.33 0.00 0.00 0.00 178.15 178.60 2vm3 h GLU 304 N -0.43 0.88 0.29 2.37 5.08 -1.45 -0.25 114.58 121.07 2vm3 h GLU 304 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2vm3 h GLU 304 Cb 0.40 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2vm3 h GLU 304 CO 0.01 0.58 -0.14 0.00 -1.00 0.00 0.00 179.01 178.46 2vm3 h ALA 305 N 1.55 -0.59 0.16 3.43 0.00 -1.00 -1.72 119.26 121.10 2vm3 h ALA 305 Ca 0.37 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 2vm3 h ALA 305 Cb 0.27 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2vm3 h ALA 305 CO -0.14 -0.56 -1.52 0.74 0.00 0.00 0.00 179.25 177.77 2vm3 h PHE 306 N -0.68 0.62 0.15 0.00 0.04 -0.97 -2.41 116.94 113.70 2vm3 h PHE 306 Ca -0.04 -0.46 -0.25 0.00 2.80 0.00 0.00 57.97 60.03 2vm3 h PHE 306 Cb 0.30 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.43 2vm3 h PHE 306 CO 0.05 1.46 -1.19 0.93 -0.60 0.00 0.00 178.31 178.96 2vm3 h GLU 307 N 0.09 0.31 0.00 1.51 4.39 -1.21 -3.41 114.58 116.27 2vm3 h GLU 307 Ca -0.25 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 58.92 2vm3 h GLU 307 Cb 2.06 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.91 2vm3 h GLU 307 CO 0.20 1.25 -1.70 1.28 -1.16 0.00 0.00 179.01 178.88 2vm3 n LEU 308 N -3.97 0.25 0.00 1.33 4.77 -0.69 -5.00 117.00 113.69 2vm3 n LEU 308 Ca -0.19 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2vm3 n LEU 308 Cb 0.90 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2vm3 n LEU 308 CO 0.47 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2vm3 n GLY 309 N 1.25 1.12 2.68 -0.72 0.00 -0.82 -0.76 105.19 107.94 2vm3 n GLY 309 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2vm3 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vm3 n ALA 310 N -0.03 5.90 -3.62 4.61 0.00 0.76 -4.00 120.51 124.14 2vm3 n ALA 310 Ca 0.00 -3.92 -0.13 0.00 0.00 0.00 0.00 53.44 49.39 2vm3 n ALA 310 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 19.45 16.01 2vm3 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vm3 s ALA 311 N 2.28 -1.76 0.37 0.00 0.00 -1.26 -1.52 121.76 119.88 2vm3 s ALA 311 Ca 0.50 2.03 0.06 0.00 0.00 0.00 0.00 51.96 54.54 2vm3 s ALA 311 Cb 0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2vm3 s ALA 311 CO -0.07 -0.34 0.21 0.41 0.00 0.00 0.00 175.76 175.97 2vm3 n GLY 312 N 2.83 3.09 3.33 0.00 0.00 0.76 -4.54 105.19 110.66 2vm3 n GLY 312 Ca -0.14 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 2vm3 n GLY 312 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vm3 s HIS 313 N -3.20 1.97 -0.12 1.61 3.76 0.19 -0.57 115.29 118.92 2vm3 s HIS 313 Ca 0.29 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2vm3 s HIS 313 Cb 0.01 -1.06 0.03 0.00 1.11 0.00 0.00 32.58 32.67 2vm3 s HIS 313 CO 0.21 0.26 -0.09 0.42 -0.85 0.00 0.00 174.74 174.69 2vm3 s ILE 314 N -1.20 1.14 -0.31 0.60 1.01 0.03 -1.24 121.20 121.23 2vm3 s ILE 314 Ca 0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 2vm3 s ILE 314 Cb -0.10 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 2vm3 s ILE 314 CO 0.05 0.37 0.47 -0.75 0.00 0.00 0.00 174.94 175.08 2vm3 s LYS 315 N 1.66 3.79 -0.20 2.79 2.20 0.63 -0.42 119.74 130.19 2vm3 s LYS 315 Ca 0.05 -0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 2vm3 s LYS 315 Cb -0.13 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2vm3 s LYS 315 CO -0.09 -0.49 -0.10 0.08 -0.36 0.00 0.00 175.35 174.39 2vm3 s VAL 316 N 2.27 2.93 0.38 4.02 1.01 0.54 -2.03 120.40 129.51 2vm3 s VAL 316 Ca 0.18 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2vm3 s VAL 316 Cb -0.16 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 2vm3 s VAL 316 CO 0.12 0.46 0.76 -1.61 0.00 0.00 0.00 175.10 174.83 2vm3 s GLU 317 N 1.37 3.86 0.00 2.72 0.41 -0.04 -0.54 118.70 126.48 2vm3 s GLU 317 Ca 0.05 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 2vm3 s GLU 317 Cb -0.14 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 2vm3 s GLU 317 CO -0.06 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 2vm3 n GLY 318 N -0.97 0.97 3.76 -1.39 0.00 -1.26 -0.25 105.19 106.05 2vm3 n GLY 318 Ca 0.03 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 2vm3 n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vm3 s LYS 319 N -1.75 4.04 0.50 1.61 2.20 -1.26 -4.65 119.74 120.42 2vm3 s LYS 319 Ca 0.00 -0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.22 2vm3 s LYS 319 Cb 0.00 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 2vm3 s LYS 319 CO 0.00 0.40 1.36 -0.46 -0.36 0.00 0.00 175.35 176.29 2vm3 s TRP 320 N 0.06 2.43 -0.32 4.03 -0.11 -1.26 -4.47 118.94 119.30 2vm3 s TRP 320 Ca 0.11 1.36 0.02 0.00 1.22 0.00 0.00 56.10 58.81 2vm3 s TRP 320 Cb -0.12 -3.79 0.08 0.00 -1.50 0.00 0.00 33.47 28.15 2vm3 s TRP 320 CO 0.00 -2.73 0.01 1.21 -4.62 0.00 0.00 176.95 170.83 2vm3 s ASN 321 N -0.84 4.73 0.51 5.86 3.84 -1.26 -4.99 114.94 122.79 2vm3 s ASN 321 Ca 0.66 -1.81 0.28 0.00 0.21 0.00 0.00 52.86 52.21 2vm3 s ASN 321 Cb -0.40 -1.64 1.29 0.00 -0.55 0.00 0.00 41.25 39.95 2vm3 s ASN 321 CO 0.49 -0.32 1.98 0.44 -2.79 0.00 0.00 177.10 176.89 2vm3 h ASP 322 N 7.75 0.00 -0.30 -4.21 3.32 -1.96 -2.41 116.42 118.61 2vm3 h ASP 322 Ca -0.12 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 2vm3 h ASP 322 Cb 1.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2vm3 h ASP 322 CO 0.52 0.13 -0.18 -0.78 -1.72 0.00 0.00 179.24 177.21 2vm3 h ASP 323 N 0.00 0.67 -0.23 6.45 3.58 -2.02 -3.24 116.42 121.63 2vm3 h ASP 323 Ca -0.00 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 2vm3 h ASP 323 Cb 0.51 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2vm3 h ASP 323 CO 0.02 0.95 -0.08 -0.07 -2.88 0.00 0.00 179.24 177.17 2vm3 h LEU 324 N 0.39 0.48 -7.24 2.28 3.38 -1.93 -3.45 115.31 109.22 2vm3 h LEU 324 Ca 0.06 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 2vm3 h LEU 324 Cb 0.72 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.09 2vm3 h LEU 324 CO 0.05 0.76 -0.20 -0.32 0.09 0.00 0.00 178.44 178.82 2vm3 s MET 325 N -4.67 0.50 -0.07 1.13 0.00 -0.93 -5.14 119.30 110.12 2vm3 s MET 325 Ca -0.14 0.70 -0.03 0.00 0.00 0.00 0.00 55.69 56.22 2vm3 s MET 325 Cb 0.07 0.18 0.04 0.00 0.00 0.00 0.00 34.83 35.12 2vm3 s MET 325 CO 0.76 -0.09 0.16 0.21 0.00 0.00 0.00 175.02 176.06 2vm3 s LYS 326 N 0.62 0.11 -0.46 4.11 2.20 -1.25 -4.08 119.74 120.99 2vm3 s LYS 326 Ca -0.03 0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 2vm3 s LYS 326 Cb -0.05 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 2vm3 s LYS 326 CO -0.04 -0.16 1.39 -1.14 -0.36 0.00 0.00 175.35 175.04 2vm3 s GLN 327 N 1.13 3.51 -0.04 4.03 0.74 -1.26 -4.87 119.66 122.90 2vm3 s GLN 327 Ca -0.09 0.79 -0.23 0.00 0.05 0.00 0.00 55.36 55.88 2vm3 s GLN 327 Cb -0.11 -4.04 -0.25 0.00 1.10 0.00 0.00 33.01 29.71 2vm3 s GLN 327 CO -0.06 -1.65 1.00 0.82 -0.55 0.00 0.00 175.29 174.86 2vm3 h ILE 328 N 6.43 1.52 -3.31 -2.34 1.08 -2.02 -3.44 117.51 115.44 2vm3 h ILE 328 Ca -0.27 -2.16 -0.40 0.00 -0.39 0.00 0.00 64.86 61.65 2vm3 h ILE 328 Cb 1.10 2.85 -0.38 0.00 -3.07 0.00 0.00 36.82 37.32 2vm3 h ILE 328 CO 1.11 0.61 -0.75 -0.54 -0.69 0.00 0.00 178.15 177.89 2vm3 s LYS 329 N -2.93 0.25 0.89 2.37 1.02 -1.26 -5.15 119.74 114.92 2vm3 s LYS 329 Ca -0.15 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 55.97 2vm3 s LYS 329 Cb 0.02 -0.70 0.12 0.00 -0.52 0.00 0.00 37.83 36.75 2vm3 s LYS 329 CO 0.79 -0.30 1.10 0.00 -0.92 0.00 0.00 175.35 176.02 2vm3 s ALA 330 N 1.97 1.56 0.13 5.17 0.00 -1.26 -4.91 121.76 124.41 2vm3 s ALA 330 Ca 0.03 0.20 -0.35 0.00 0.00 0.00 0.00 51.96 51.85 2vm3 s ALA 330 Cb -0.12 -3.29 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 2vm3 s ALA 330 CO -0.04 -2.41 1.34 -2.30 0.00 0.00 0.00 175.76 172.35 2vm3 n PRO 331 N -3.96 1.37 -3.46 0.00 -0.02 -1.26 -4.96 135.00 122.72 2vm3 n PRO 331 Ca 0.08 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2vm3 n PRO 331 Cb 0.54 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2vm3 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vm3 s ALA 332 N 0.37 -1.68 0.43 3.55 0.00 -1.26 -5.15 121.76 118.02 2vm3 s ALA 332 Ca 0.80 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 2vm3 s ALA 332 Cb -0.87 0.58 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 2vm3 s ALA 332 CO 0.47 -0.66 0.95 -2.30 0.00 0.00 0.00 175.76 174.22 2vm3 n PRO 333 N -0.05 1.23 -2.00 0.00 -0.02 -1.26 -4.88 135.00 128.01 2vm3 n PRO 333 Ca -0.16 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2vm3 n PRO 333 Cb 0.63 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2vm3 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vm3 s ILE 334 N -1.31 3.29 -2.00 4.25 1.01 -1.26 -5.24 121.20 119.93 2vm3 s ILE 334 Ca 0.64 0.65 0.17 0.00 0.00 0.00 0.00 60.65 62.11 2vm3 s ILE 334 Cb -0.55 -3.42 0.48 0.00 0.01 0.00 0.00 42.46 38.98 2vm3 s ILE 334 CO 0.56 -0.01 1.42 -2.65 0.00 0.00 0.00 174.94 174.26