#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdg s HIS 2 N 0.00 1.01 -0.65 1.61 5.65 -1.26 -5.10 115.29 116.55 1vdg s HIS 2 Ca 0.00 -0.56 -0.05 0.00 0.25 0.00 0.00 55.06 54.70 1vdg s HIS 2 Cb 0.00 -0.99 0.17 0.00 -1.18 0.00 0.00 32.58 30.58 1vdg s HIS 2 CO 0.00 -0.47 0.48 -0.51 -0.65 0.00 0.00 174.74 173.59 1vdg s LEU 3 N 1.86 5.47 0.03 8.88 1.43 -1.26 -5.06 118.68 130.02 1vdg s LEU 3 Ca 0.03 -2.79 -0.34 0.00 -1.03 0.00 0.00 54.13 49.99 1vdg s LEU 3 Cb -0.14 -1.91 -0.13 0.00 0.03 0.00 0.00 46.19 44.04 1vdg s LEU 3 CO -0.07 -0.41 1.72 -2.65 0.23 0.00 0.00 176.35 175.17 1vdg n PRO 4 N 3.61 2.11 -1.67 1.29 -0.02 -1.26 -4.18 135.00 134.88 1vdg n PRO 4 Ca 0.08 0.77 -0.47 0.00 -2.02 0.00 0.00 63.50 61.86 1vdg n PRO 4 Cb 0.39 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1vdg n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1vdg n LYS 5 N 5.00 2.08 -0.99 -0.52 4.81 -1.26 -4.83 118.16 122.44 1vdg n LYS 5 Ca 0.20 0.75 -0.31 0.00 -0.87 0.00 0.00 58.31 58.08 1vdg n LYS 5 Cb 0.28 -2.53 0.13 0.00 0.02 0.00 0.00 35.03 32.94 1vdg n LYS 5 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1vdg s PRO 6 N 1.54 1.50 -0.23 1.64 0.02 -1.26 -4.94 135.00 133.27 1vdg s PRO 6 Ca 0.82 1.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 1vdg s PRO 6 Cb -0.70 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1vdg s PRO 6 CO 0.41 -2.20 0.19 0.99 -0.33 0.00 0.00 177.00 176.06 1vdg s THR 7 N -2.79 5.34 -0.22 0.99 2.01 -0.25 -4.34 115.64 116.38 1vdg s THR 7 Ca 0.64 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1vdg s THR 7 Cb -0.20 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1vdg s THR 7 CO 0.57 0.34 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.50 1vdg s LEU 8 N 1.07 2.85 0.00 4.42 2.96 -1.26 -1.25 118.68 127.46 1vdg s LEU 8 Ca 0.09 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.17 1vdg s LEU 8 Cb -0.14 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1vdg s LEU 8 CO 0.05 -0.09 0.15 -2.67 -1.32 0.00 0.00 176.35 172.47 1vdg n TRP 9 N 4.61 -0.13 -4.10 5.38 2.14 0.33 -4.81 117.44 120.87 1vdg n TRP 9 Ca -0.18 -2.15 -0.14 0.00 2.07 0.00 0.00 57.50 57.10 1vdg n TRP 9 Cb 0.47 0.07 -0.12 0.00 -0.81 0.00 0.00 31.31 30.93 1vdg n TRP 9 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1vdg s ALA 10 N -2.96 0.59 -0.07 -1.67 0.00 -1.26 0.20 121.76 116.59 1vdg s ALA 10 Ca 0.22 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1vdg s ALA 10 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1vdg s ALA 10 CO 0.15 0.02 -0.21 -1.21 0.00 0.00 0.00 175.76 174.52 1vdg s GLU 11 N -1.29 2.44 0.00 0.00 2.02 0.10 -2.83 118.70 119.14 1vdg s GLU 11 Ca -0.07 -0.74 0.28 0.00 0.02 0.00 0.00 54.97 54.46 1vdg s GLU 11 Cb -0.08 -1.95 1.39 0.00 0.10 0.00 0.00 34.13 33.58 1vdg s GLU 11 CO 0.00 0.21 1.97 -0.35 0.02 0.00 0.00 175.26 177.11 1vdg n PRO 12 N 3.38 0.31 0.00 0.39 -0.04 -1.26 0.53 135.00 138.31 1vdg n PRO 12 Ca -0.19 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1vdg n PRO 12 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1vdg n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vdg n GLY 13 N 1.20 -0.45 0.50 0.55 0.00 -1.13 -5.03 105.19 100.82 1vdg n GLY 13 Ca 0.12 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.30 1vdg n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vdg n SER 14 N 0.00 1.58 -4.06 1.61 3.41 -1.26 -4.63 113.62 110.26 1vdg n SER 14 Ca 0.00 -1.48 -0.32 0.00 -0.26 0.00 0.00 58.87 56.80 1vdg n SER 14 Cb 0.00 0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1vdg n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vdg s VAL 15 N -2.05 2.42 -0.10 -3.33 1.01 -1.26 -0.31 120.40 116.79 1vdg s VAL 15 Ca 0.36 -1.98 0.03 0.00 0.00 0.00 0.00 61.98 60.38 1vdg s VAL 15 Cb 0.21 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1vdg s VAL 15 CO 0.35 -0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.28 1vdg s ILE 16 N 1.03 1.61 0.45 2.22 -1.09 -0.76 -4.99 121.20 119.67 1vdg s ILE 16 Ca 0.02 -0.74 -0.25 0.00 -2.23 0.00 0.00 60.65 57.46 1vdg s ILE 16 Cb -0.20 -1.43 -0.08 0.00 -1.58 0.00 0.00 42.46 39.17 1vdg s ILE 16 CO -0.06 0.46 1.36 0.42 -1.23 0.00 0.00 174.94 175.89 1vdg s THR 17 N 0.68 2.33 0.30 2.92 -4.23 -1.26 -2.00 115.64 114.37 1vdg s THR 17 Ca -0.13 0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.37 1vdg s THR 17 Cb -0.16 -3.16 -0.13 0.00 1.34 0.00 0.00 72.50 70.39 1vdg s THR 17 CO 0.03 0.03 1.36 1.67 -0.54 0.00 0.00 174.62 177.18 1vdg n GLN 18 N -0.22 2.15 0.00 3.99 0.00 -0.64 -2.15 117.38 120.51 1vdg n GLN 18 Ca 0.05 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.81 1vdg n GLN 18 Cb 0.43 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.29 1vdg n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vdg n GLY 19 N 1.40 3.27 3.86 1.69 0.00 -0.51 -4.98 105.19 109.92 1vdg n GLY 19 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1vdg n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdg s SER 20 N -0.11 6.36 0.58 1.61 0.01 -0.92 -4.17 113.70 117.06 1vdg s SER 20 Ca 0.00 1.44 -0.09 0.00 1.31 0.00 0.00 55.95 58.61 1vdg s SER 20 Cb 0.00 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1vdg s SER 20 CO 0.00 -0.76 0.95 -2.16 0.41 0.00 0.00 173.24 171.68 1vdg s PRO 21 N -4.80 3.42 -0.25 12.44 0.04 -1.00 -0.51 135.00 144.35 1vdg s PRO 21 Ca 0.56 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 1vdg s PRO 21 Cb -0.11 -2.19 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1vdg s PRO 21 CO 0.46 -0.52 0.82 0.54 0.04 0.00 0.00 177.00 178.34 1vdg s VAL 22 N -3.04 0.00 -0.16 -0.36 0.11 0.19 -4.72 120.40 112.42 1vdg s VAL 22 Ca 0.53 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1vdg s VAL 22 Cb -0.11 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1vdg s VAL 22 CO 0.50 0.00 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.26 1vdg s THR 23 N 0.11 1.52 -0.09 5.04 2.01 0.19 -0.09 115.64 124.33 1vdg s THR 23 Ca -0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1vdg s THR 23 Cb -0.04 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1vdg s THR 23 CO -0.00 0.37 0.63 -0.76 -0.69 0.00 0.00 174.62 174.17 1vdg s LEU 24 N 1.49 4.30 -0.08 4.42 1.43 -1.00 0.03 118.68 129.27 1vdg s LEU 24 Ca 0.03 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 1vdg s LEU 24 Cb -0.14 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1vdg s LEU 24 CO -0.10 -0.09 -0.09 -0.13 0.23 0.00 0.00 176.35 176.18 1vdg s ARG 25 N 0.79 2.81 -0.22 1.70 1.81 0.13 -1.38 118.95 124.58 1vdg s ARG 25 Ca 0.34 -0.59 -0.02 0.00 -1.72 0.00 0.00 55.73 53.74 1vdg s ARG 25 Cb -0.17 -2.57 0.07 0.00 -0.45 0.00 0.00 34.95 31.83 1vdg s ARG 25 CO 0.15 0.59 0.03 0.00 -0.68 0.00 0.00 175.30 175.39 1vdg s GLN 27 N 1.73 1.11 0.00 0.00 0.74 -0.38 -4.27 119.66 118.58 1vdg s GLN 27 Ca -0.00 -1.34 0.00 0.00 0.05 0.00 0.00 55.36 54.07 1vdg s GLN 27 Cb -0.17 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 32.96 1vdg s GLN 27 CO -0.11 0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1vdg n GLY 28 N 0.29 5.10 0.03 2.59 0.00 -1.26 -1.09 105.19 110.86 1vdg n GLY 28 Ca -0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 1vdg n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vdg h GLY 29 N 0.00 0.00 0.00 -0.02 0.00 -1.99 -3.49 103.07 97.56 1vdg h GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vdg h GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1vdg n GLN 30 N -3.85 0.65 0.16 4.80 6.02 -1.26 -4.97 117.38 118.93 1vdg n GLN 30 Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1vdg n GLN 30 Cb 0.01 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.34 1vdg n GLN 30 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1vdg h GLU 31 N 0.00 0.00 -2.07 -1.09 5.08 -1.94 -3.45 114.58 111.11 1vdg h GLU 31 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1vdg h GLU 31 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1vdg h GLU 31 CO 0.00 0.36 -0.12 0.95 -1.00 0.00 0.00 179.01 179.19 1vdg s THR 32 N -3.03 -0.70 0.18 1.13 -4.23 -1.26 -4.66 115.64 103.07 1vdg s THR 32 Ca 0.05 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.63 1vdg s THR 32 Cb 0.07 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.91 1vdg s THR 32 CO 0.73 0.01 -0.10 -1.10 -0.54 0.00 0.00 174.62 173.62 1vdg s GLN 33 N 2.52 1.18 -1.28 3.99 -0.21 -0.95 -5.03 119.66 119.89 1vdg s GLN 33 Ca -0.07 -1.53 -0.16 0.00 0.02 0.00 0.00 55.36 53.62 1vdg s GLN 33 Cb -0.10 -0.76 -0.01 0.00 1.00 0.00 0.00 33.01 33.14 1vdg s GLN 33 CO -0.18 0.08 2.13 0.39 -2.12 0.00 0.00 175.29 175.58 1vdg n GLU 34 N -0.29 2.51 -2.19 2.91 -0.58 -1.26 -4.44 120.64 117.30 1vdg n GLU 34 Ca -0.09 -2.44 -0.35 0.00 -0.42 0.00 0.00 57.16 53.86 1vdg n GLU 34 Cb 0.61 -3.21 0.01 0.00 -0.57 0.00 0.00 31.44 28.28 1vdg n GLU 34 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1vdg s TYR 35 N 3.80 2.64 -0.15 -0.32 1.51 -1.26 -1.59 117.35 121.98 1vdg s TYR 35 Ca 0.50 1.54 -0.04 0.00 -1.01 0.00 0.00 57.07 58.06 1vdg s TYR 35 Cb 0.13 -3.30 0.07 0.00 -0.11 0.00 0.00 41.96 38.75 1vdg s TYR 35 CO -0.03 -1.65 0.15 1.03 -1.11 0.00 0.00 175.55 173.94 1vdg s ARG 36 N -3.36 0.09 -0.08 -0.62 0.52 0.13 -4.89 118.95 110.74 1vdg s ARG 36 Ca 0.73 0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 56.02 1vdg s ARG 36 Cb -0.24 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.98 1vdg s ARG 36 CO 0.29 -0.57 0.25 -1.17 0.02 0.00 0.00 175.30 174.12 1vdg s LEU 37 N 2.24 4.41 0.03 2.53 2.96 -1.26 -2.17 118.68 127.41 1vdg s LEU 37 Ca 0.04 0.65 -0.18 0.00 -0.22 0.00 0.00 54.13 54.42 1vdg s LEU 37 Cb -0.15 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.29 1vdg s LEU 37 CO -0.09 0.35 0.41 -0.72 -1.32 0.00 0.00 176.35 174.98 1vdg s TYR 38 N -0.89 -0.27 0.09 5.38 -0.85 -0.56 -5.00 117.35 115.24 1vdg s TYR 38 Ca 0.18 0.28 0.03 0.00 -0.52 0.00 0.00 57.07 57.04 1vdg s TYR 38 Cb -0.14 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1vdg s TYR 38 CO 0.07 -0.54 0.12 0.50 -1.52 0.00 0.00 175.55 174.18 1vdg s ARG 39 N -2.22 3.03 0.38 -3.49 3.52 -1.26 -1.47 118.95 117.44 1vdg s ARG 39 Ca -0.07 -0.65 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1vdg s ARG 39 Cb -0.01 -2.80 -0.06 0.00 -1.56 0.00 0.00 34.95 30.52 1vdg s ARG 39 CO -0.01 0.57 0.70 -1.21 -0.81 0.00 0.00 175.30 174.54 1vdg s GLU 40 N -2.52 3.69 0.00 5.12 2.02 0.20 -4.36 118.70 122.84 1vdg s GLU 40 Ca 0.31 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.57 1vdg s GLU 40 Cb -0.12 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1vdg s GLU 40 CO 0.24 0.02 0.00 1.63 0.02 0.00 0.00 175.26 177.17 1vdg n LYS 41 N -1.35 0.00 -3.67 1.61 4.76 -1.26 -4.61 118.16 113.64 1vdg n LYS 41 Ca 0.01 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.36 1vdg n LYS 41 Cb 0.54 -2.65 -0.09 0.00 -1.84 0.00 0.00 35.03 30.99 1vdg n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vdg s LYS 42 N 0.00 0.52 0.33 1.97 2.20 -1.26 -5.14 119.74 118.35 1vdg s LYS 42 Ca 0.00 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 56.31 1vdg s LYS 42 Cb 0.00 0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.30 1vdg s LYS 42 CO 0.00 -0.16 1.38 -0.08 -0.36 0.00 0.00 175.35 176.13 1vdg s THR 43 N 1.59 2.52 -0.55 3.43 -1.32 -1.26 -4.54 115.64 115.52 1vdg s THR 43 Ca -0.09 0.51 -0.15 0.00 -1.21 0.00 0.00 61.69 60.74 1vdg s THR 43 Cb -0.07 -3.32 0.13 0.00 -1.51 0.00 0.00 72.50 67.73 1vdg s THR 43 CO -0.16 0.11 0.50 0.00 -2.21 0.00 0.00 174.62 172.86 1vdg s ALA 44 N -0.93 3.64 0.20 11.08 0.00 -1.26 -4.96 121.76 129.54 1vdg s ALA 44 Ca 0.52 -2.57 -0.10 0.00 0.00 0.00 0.00 51.96 49.80 1vdg s ALA 44 Cb -0.42 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 19.67 1vdg s ALA 44 CO 0.54 -2.02 1.81 -0.07 0.00 0.00 0.00 175.76 176.02 1vdg h LEU 45 N 8.80 0.55 -1.90 0.00 3.38 -1.95 -2.26 115.31 121.94 1vdg h LEU 45 Ca -0.27 0.02 0.18 0.00 0.09 0.00 0.00 57.88 57.89 1vdg h LEU 45 Cb 1.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1vdg h LEU 45 CO 1.01 0.37 0.58 4.11 0.09 0.00 0.00 178.44 184.59 1vdg h TRP 46 N 0.69 0.00 0.00 1.13 5.08 -1.97 0.41 115.95 121.28 1vdg h TRP 46 Ca 0.28 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.20 1vdg h TRP 46 Cb 0.14 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.29 1vdg h TRP 46 CO -0.07 0.00 -0.24 0.82 -1.28 0.00 0.00 178.44 177.66 1vdg h ILE 47 N 0.00 0.80 0.00 0.12 2.04 -1.79 -2.55 117.51 116.13 1vdg h ILE 47 Ca 0.29 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1vdg h ILE 47 Cb 1.44 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1vdg h ILE 47 CO -0.00 0.24 0.00 0.71 0.00 0.00 0.00 178.15 179.09 1vdg h THR 48 N 0.00 0.00 -0.02 -0.27 1.35 -1.06 -3.00 112.91 109.90 1vdg h THR 48 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1vdg h THR 48 Cb 0.57 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1vdg h THR 48 CO 0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 1vdg n ARG 49 N -2.51 1.47 -2.65 4.72 1.74 -0.96 -4.84 116.66 113.63 1vdg n ARG 49 Ca 0.05 -0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 56.02 1vdg n ARG 49 Cb 0.44 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1vdg n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vdg s ILE 50 N -1.98 4.67 0.59 0.55 -1.09 -1.14 -5.00 121.20 117.81 1vdg s ILE 50 Ca 0.40 1.99 -0.19 0.00 -2.23 0.00 0.00 60.65 60.62 1vdg s ILE 50 Cb 0.21 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1vdg s ILE 50 CO 0.33 -0.12 0.93 -2.65 -1.23 0.00 0.00 174.94 172.21 1vdg n PRO 51 N 5.91 0.88 0.28 2.79 -0.02 -1.26 -4.78 135.00 138.80 1vdg n PRO 51 Ca 0.11 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1vdg n PRO 51 Cb 0.47 -2.13 0.80 0.00 -0.02 0.00 0.00 33.50 32.62 1vdg n PRO 51 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1vdg h GLN 52 N 0.51 0.00 -0.72 -0.52 1.08 -1.98 -2.35 115.11 111.13 1vdg h GLN 52 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1vdg h GLN 52 Cb 1.37 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.76 1vdg h GLN 52 CO 0.51 0.08 0.47 0.93 -0.95 0.00 0.00 178.83 179.87 1vdg h GLU 53 N 0.00 0.96 0.08 1.46 3.07 -2.00 -2.18 114.58 115.96 1vdg h GLU 53 Ca -0.00 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1vdg h GLU 53 Cb 0.32 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1vdg h GLU 53 CO 0.01 0.64 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.73 1vdg h LEU 54 N 0.98 0.28 -0.70 1.33 3.38 -1.78 -3.33 115.31 115.45 1vdg h LEU 54 Ca 0.26 -0.96 0.16 0.00 0.09 0.00 0.00 57.88 57.43 1vdg h LEU 54 Cb -0.10 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.45 1vdg h LEU 54 CO -0.06 1.22 0.04 0.58 0.09 0.00 0.00 178.44 180.31 1vdg h VAL 55 N -0.62 0.43 -0.02 1.22 2.07 -1.36 0.46 116.25 118.44 1vdg h VAL 55 Ca -0.08 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1vdg h VAL 55 Cb 1.35 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1vdg h VAL 55 CO 0.09 0.03 0.01 0.11 0.02 0.00 0.00 177.57 177.83 1vdg h LYS 56 N 0.14 0.00 -0.01 1.57 1.57 -1.54 0.27 116.57 118.57 1vdg h LYS 56 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1vdg h LYS 56 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1vdg h LYS 56 CO -0.58 0.00 -0.04 1.63 -0.57 0.00 0.00 179.45 179.88 1vdg n LYS 57 N -4.33 1.45 -1.67 3.15 4.76 0.15 -2.23 118.16 119.44 1vdg n LYS 57 Ca -0.03 -0.79 -0.07 0.00 -2.87 0.00 0.00 58.31 54.56 1vdg n LYS 57 Cb 0.11 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1vdg n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdg n GLY 58 N 1.19 0.48 3.64 0.72 0.00 0.94 -4.88 105.19 107.28 1vdg n GLY 58 Ca 0.18 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1vdg n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vdg s GLN 59 N -3.48 3.45 -0.43 1.61 -0.21 -0.89 -1.38 119.66 118.33 1vdg s GLN 59 Ca 0.00 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.03 1vdg s GLN 59 Cb 0.00 -2.97 0.17 0.00 1.00 0.00 0.00 33.01 31.21 1vdg s GLN 59 CO 0.00 0.49 0.35 1.19 -2.12 0.00 0.00 175.29 175.20 1vdg n PHE 60 N 2.83 -0.64 -2.39 0.91 3.01 -0.48 -3.82 117.46 116.87 1vdg n PHE 60 Ca -0.18 -3.38 -0.36 0.00 1.01 0.00 0.00 57.45 54.54 1vdg n PHE 60 Cb 0.53 0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 40.18 1vdg n PHE 60 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1vdg s PRO 61 N -0.07 3.85 -0.31 -1.08 0.04 -1.26 -2.38 135.00 133.78 1vdg s PRO 61 Ca 0.32 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1vdg s PRO 61 Cb 0.04 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1vdg s PRO 61 CO -0.20 -0.43 0.10 0.42 0.04 0.00 0.00 177.00 176.93 1vdg s ILE 62 N -1.67 0.98 0.16 0.56 1.01 0.88 -4.97 121.20 118.15 1vdg s ILE 62 Ca 0.63 -1.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 1vdg s ILE 62 Cb -0.24 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1vdg s ILE 62 CO 0.29 -0.68 1.61 -0.65 0.00 0.00 0.00 174.94 175.52 1vdg h PRO 63 N 8.03 -0.26 -3.38 2.79 0.11 -1.88 0.57 132.00 137.97 1vdg h PRO 63 Ca -0.13 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.47 1vdg h PRO 63 Cb 1.01 0.06 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 1vdg h PRO 63 CO 0.48 -0.17 -0.76 0.45 -0.21 0.00 0.00 178.00 177.78 1vdg s SER 64 N -5.04 3.28 0.39 -2.05 0.15 -1.26 -2.39 113.70 106.79 1vdg s SER 64 Ca -0.15 -1.11 -0.25 0.00 0.70 0.00 0.00 55.95 55.15 1vdg s SER 64 Cb 0.13 -0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 63.75 1vdg s SER 64 CO 0.68 -0.36 1.11 -0.51 1.20 0.00 0.00 173.24 175.35 1vdg s ILE 65 N 1.86 3.43 0.40 6.45 2.07 0.33 -4.84 121.20 130.90 1vdg s ILE 65 Ca 0.04 1.17 0.04 0.00 -1.41 0.00 0.00 60.65 60.48 1vdg s ILE 65 Cb -0.17 -3.64 -0.03 0.00 0.13 0.00 0.00 42.46 38.76 1vdg s ILE 65 CO -0.18 0.08 0.13 0.42 -1.91 0.00 0.00 174.94 173.48 1vdg s THR 66 N -1.50 0.60 0.20 4.00 -4.23 -1.26 -1.43 115.64 112.02 1vdg s THR 66 Ca 0.56 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1vdg s THR 66 Cb -0.27 -2.37 0.12 0.00 1.34 0.00 0.00 72.50 71.32 1vdg s THR 66 CO 0.34 0.00 1.80 -0.50 -0.54 0.00 0.00 174.62 175.72 1vdg h TRP 67 N 1.82 0.61 0.00 3.99 4.06 -1.97 -1.19 115.95 123.28 1vdg h TRP 67 Ca -0.35 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.62 1vdg h TRP 67 Cb 1.27 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1vdg h TRP 67 CO 1.47 0.30 0.02 -1.91 -3.56 0.00 0.00 178.44 174.76 1vdg n GLU 68 N -4.81 0.09 0.12 0.49 4.07 -1.26 -1.72 120.64 117.61 1vdg n GLU 68 Ca 0.07 0.59 0.06 0.00 -0.06 0.00 0.00 57.16 57.82 1vdg n GLU 68 Cb 0.15 -1.82 0.02 0.00 -0.06 0.00 0.00 31.44 29.73 1vdg n GLU 68 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1vdg h HIS 69 N 0.00 0.00 -3.99 4.31 3.86 -1.61 -3.47 115.15 114.25 1vdg h HIS 69 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1vdg h HIS 69 Cb 0.04 0.00 0.15 0.00 1.06 0.00 0.00 27.41 28.66 1vdg h HIS 69 CO 0.00 0.27 0.53 0.00 0.86 0.00 0.00 177.93 179.59 1vdg n ALA 70 N -2.23 1.34 0.00 2.45 0.00 -0.70 -4.93 120.51 116.44 1vdg n ALA 70 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1vdg n ALA 70 Cb 0.67 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1vdg n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vdg n GLY 71 N 0.85 1.14 3.55 0.00 0.00 -0.48 -4.98 105.19 105.27 1vdg n GLY 71 Ca 0.12 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1vdg n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vdg s ARG 72 N -1.93 3.60 0.26 1.61 3.52 -1.26 -0.51 118.95 124.23 1vdg s ARG 72 Ca 0.00 -0.27 0.09 0.00 -0.13 0.00 0.00 55.73 55.42 1vdg s ARG 72 Cb 0.00 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1vdg s ARG 72 CO 0.00 -0.59 0.04 0.71 -0.81 0.00 0.00 175.30 174.66 1vdg s TYR 73 N 2.22 2.79 0.24 5.12 1.51 0.08 0.58 117.35 129.89 1vdg s TYR 73 Ca 0.16 -0.20 -0.16 0.00 -1.01 0.00 0.00 57.07 55.86 1vdg s TYR 73 Cb -0.16 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1vdg s TYR 73 CO 0.12 0.60 0.54 1.03 -1.11 0.00 0.00 175.55 176.73 1vdg s ARG 74 N -3.71 1.55 0.26 -0.62 0.52 -0.54 -0.27 118.95 116.13 1vdg s ARG 74 Ca 0.32 -1.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 1vdg s ARG 74 Cb -0.07 0.51 0.02 0.00 0.52 0.00 0.00 34.95 35.94 1vdg s ARG 74 CO 0.21 -0.66 0.68 0.00 0.02 0.00 0.00 175.30 175.55 1vdg s TYR 76 N -3.91 -0.02 0.10 0.00 -0.85 -0.92 0.70 117.35 112.44 1vdg s TYR 76 Ca 0.11 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1vdg s TYR 76 Cb -0.05 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1vdg s TYR 76 CO 0.05 -1.34 -0.07 1.52 -1.52 0.00 0.00 175.55 174.18 1vdg s TYR 77 N -3.34 0.92 0.00 -3.49 -0.85 -1.26 0.18 117.35 109.51 1vdg s TYR 77 Ca 0.14 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 1vdg s TYR 77 Cb -0.05 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.77 1vdg s TYR 77 CO 0.09 -0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.42 1vdg n GLY 78 N 0.18 -0.55 3.06 5.49 0.00 -0.62 -1.22 105.19 111.53 1vdg n GLY 78 Ca -0.14 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 1vdg n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vdg s SER 79 N -4.00 -0.02 0.00 1.61 0.15 -1.19 -4.79 113.70 105.46 1vdg s SER 79 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1vdg s SER 79 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1vdg s SER 79 CO 0.00 -0.24 0.16 0.47 1.20 0.00 0.00 173.24 174.83 1vdg n ASP 80 N 2.05 0.45 0.00 5.45 8.00 -1.26 -1.36 116.55 129.88 1vdg n ASP 80 Ca -0.19 -0.71 0.01 0.00 0.71 0.00 0.00 54.79 54.60 1vdg n ASP 80 Cb 0.57 -0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1vdg n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdg n ALA 82 N 1.48 1.65 0.00 2.24 0.00 -1.26 -4.83 120.51 119.79 1vdg n ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1vdg n ALA 82 Cb 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1vdg n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vdg n GLY 83 N -0.48 3.54 3.67 0.00 0.00 -0.46 -5.01 105.19 106.44 1vdg n GLY 83 Ca 0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1vdg n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vdg s ARG 84 N -3.91 2.56 0.79 1.61 1.70 -1.24 -3.14 118.95 117.32 1vdg s ARG 84 Ca 0.00 -0.79 -0.09 0.00 -0.47 0.00 0.00 55.73 54.38 1vdg s ARG 84 Cb 0.00 -2.54 0.11 0.00 -0.57 0.00 0.00 34.95 31.95 1vdg s ARG 84 CO 0.00 0.56 1.12 -1.54 -1.08 0.00 0.00 175.30 174.36 1vdg s SER 85 N -2.03 4.26 1.00 -2.89 1.04 -0.36 -4.96 113.70 109.76 1vdg s SER 85 Ca 0.23 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 1vdg s SER 85 Cb -0.12 -0.76 0.19 0.00 0.10 0.00 0.00 66.02 65.43 1vdg s SER 85 CO 0.15 -1.98 1.09 -1.61 0.98 0.00 0.00 173.24 171.87 1vdg s GLU 86 N -5.45 0.41 0.38 4.02 2.02 -1.26 -4.65 118.70 114.17 1vdg s GLU 86 Ca 0.65 0.59 -0.24 0.00 0.02 0.00 0.00 54.97 55.99 1vdg s GLU 86 Cb -0.08 -1.73 -0.10 0.00 0.10 0.00 0.00 34.13 32.32 1vdg s GLU 86 CO 0.47 -2.77 0.96 -1.12 0.02 0.00 0.00 175.26 172.83 1vdg s SER 87 N -3.36 7.08 1.19 -0.19 0.01 -1.26 -4.52 113.70 112.65 1vdg s SER 87 Ca 0.65 1.81 -0.15 0.00 1.31 0.00 0.00 55.95 59.57 1vdg s SER 87 Cb -0.19 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.76 1vdg s SER 87 CO 0.58 -0.25 1.03 -0.94 0.41 0.00 0.00 173.24 174.07 1vdg s SER 88 N -1.83 0.87 0.56 2.44 1.04 0.22 -4.84 113.70 112.15 1vdg s SER 88 Ca 0.56 1.19 -0.19 0.00 0.48 0.00 0.00 55.95 57.99 1vdg s SER 88 Cb -0.15 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 1vdg s SER 88 CO 0.20 -4.22 1.17 -1.81 0.98 0.00 0.00 173.24 169.56 1vdg s ASP 89 N -3.00 5.50 0.67 7.02 1.01 -1.26 -4.60 116.67 122.01 1vdg s ASP 89 Ca 0.68 2.30 -0.15 0.00 0.71 0.00 0.00 52.55 56.08 1vdg s ASP 89 Cb -0.20 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.15 1vdg s ASP 89 CO 0.61 -1.38 1.14 -2.16 0.21 0.00 0.00 175.17 173.60 1vdg s PRO 90 N -3.25 2.66 -0.17 8.23 0.04 -1.26 -4.71 135.00 136.53 1vdg s PRO 90 Ca 0.74 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 1vdg s PRO 90 Cb -0.28 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1vdg s PRO 90 CO 0.31 -1.39 -0.07 -1.17 0.04 0.00 0.00 177.00 174.72 1vdg s LEU 91 N -4.83 1.79 -0.39 -3.56 2.96 0.63 -4.96 118.68 110.32 1vdg s LEU 91 Ca 0.70 -0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 53.70 1vdg s LEU 91 Cb -0.24 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.45 1vdg s LEU 91 CO 0.41 -0.16 0.66 -1.61 -1.32 0.00 0.00 176.35 174.33 1vdg s GLU 92 N 1.56 3.55 -0.40 1.98 2.02 -1.26 -0.74 118.70 125.40 1vdg s GLU 92 Ca 0.01 -0.06 -0.20 0.00 0.02 0.00 0.00 54.97 54.74 1vdg s GLU 92 Cb -0.15 -3.86 0.01 0.00 0.10 0.00 0.00 34.13 30.23 1vdg s GLU 92 CO -0.08 -0.86 0.59 -1.17 0.02 0.00 0.00 175.26 173.77 1vdg s LEU 93 N 2.82 4.47 -0.01 1.80 2.96 0.33 -4.80 118.68 126.26 1vdg s LEU 93 Ca 0.25 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1vdg s LEU 93 Cb -0.14 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1vdg s LEU 93 CO 0.17 -0.67 0.15 -0.69 -1.32 0.00 0.00 176.35 173.99 1vdg s VAL 94 N 2.64 5.18 -0.12 1.68 1.01 0.58 -1.38 120.40 129.99 1vdg s VAL 94 Ca 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1vdg s VAL 94 Cb -0.15 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1vdg s VAL 94 CO 0.17 0.33 -0.15 -0.69 0.00 0.00 0.00 175.10 174.75 1vdg s VAL 95 N -1.28 1.54 0.28 2.92 1.01 -0.13 -1.82 120.40 122.92 1vdg s VAL 95 Ca 0.26 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1vdg s VAL 95 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1vdg s VAL 95 CO 0.17 0.45 0.31 0.42 0.00 0.00 0.00 175.10 176.45 1vdg s THR 96 N 1.09 4.42 0.00 3.92 -4.23 -0.85 -0.84 115.64 119.15 1vdg s THR 96 Ca -0.04 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1vdg s THR 96 Cb -0.14 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1vdg s THR 96 CO -0.04 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1vdg n GLY 97 N -1.36 1.01 0.10 3.99 0.00 0.18 -1.62 105.19 107.49 1vdg n GLY 97 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vdg n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdg h ALA 98 N 0.00 0.64 -1.29 4.61 0.00 -1.32 -3.41 119.26 118.49 1vdg h ALA 98 Ca 0.00 -0.78 -0.59 0.00 0.00 0.00 0.00 54.91 53.54 1vdg h ALA 98 Cb 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.81 1vdg h ALA 98 CO 0.00 0.90 -0.53 0.71 0.00 0.00 0.00 179.25 180.33 1vdg s TYR 99 N -2.90 1.89 0.34 0.00 1.51 -1.26 -4.90 117.35 112.04 1vdg s TYR 99 Ca -0.01 -1.10 -0.28 0.00 -1.01 0.00 0.00 57.07 54.68 1vdg s TYR 99 Cb 0.08 -1.36 -0.09 0.00 -0.11 0.00 0.00 41.96 40.48 1vdg s TYR 99 CO 0.79 -0.04 1.22 0.96 -1.11 0.00 0.00 175.55 177.37 1vdg s ILE 100 N -3.08 3.02 0.40 2.71 -4.36 -1.26 -0.53 121.20 118.10 1vdg s ILE 100 Ca 0.20 0.97 -0.25 0.00 -0.26 0.00 0.00 60.65 61.32 1vdg s ILE 100 Cb 0.04 -3.60 -0.08 0.00 1.25 0.00 0.00 42.46 40.07 1vdg s ILE 100 CO 0.11 0.19 1.15 -1.59 0.24 0.00 0.00 174.94 175.04 1vdg s LYS 101 N -1.88 4.06 0.58 0.37 -2.85 -1.26 -4.38 119.74 114.39 1vdg s LYS 101 Ca 0.51 1.77 -0.05 0.00 -1.00 0.00 0.00 55.97 57.20 1vdg s LYS 101 Cb -0.35 -2.64 0.01 0.00 -2.06 0.00 0.00 37.83 32.79 1vdg s LYS 101 CO 0.46 -0.30 0.88 -1.25 0.10 0.00 0.00 175.35 175.24 1vdg s PRO 102 N -2.34 2.85 -0.11 1.78 0.04 -1.26 -4.81 135.00 131.15 1vdg s PRO 102 Ca 0.57 -0.11 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 1vdg s PRO 102 Cb -0.29 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1vdg s PRO 102 CO 0.36 -0.71 0.08 -0.08 0.04 0.00 0.00 177.00 176.69 1vdg s THR 103 N -2.96 4.95 -0.15 1.26 -1.32 0.27 -4.17 115.64 113.53 1vdg s THR 103 Ca 0.54 -0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.02 1vdg s THR 103 Cb -0.10 -3.13 -0.00 0.00 -1.51 0.00 0.00 72.50 67.76 1vdg s THR 103 CO 0.44 0.61 -0.16 -0.22 -2.21 0.00 0.00 174.62 173.08 1vdg s LEU 104 N -0.90 2.45 0.09 9.08 2.96 -1.26 0.19 118.68 131.29 1vdg s LEU 104 Ca 0.14 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1vdg s LEU 104 Cb -0.12 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1vdg s LEU 104 CO 0.03 0.10 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.10 1vdg s SER 105 N 0.74 1.57 0.32 3.68 1.04 -0.10 -4.96 113.70 115.98 1vdg s SER 105 Ca -0.07 -0.73 -0.27 0.00 0.48 0.00 0.00 55.95 55.36 1vdg s SER 105 Cb -0.16 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.85 1vdg s SER 105 CO 0.01 -0.18 1.02 0.00 0.98 0.00 0.00 173.24 175.07 1vdg s ALA 106 N -1.92 3.25 -0.41 5.32 0.00 -1.26 -0.85 121.76 125.89 1vdg s ALA 106 Ca 0.02 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1vdg s ALA 106 Cb -0.06 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 19.93 1vdg s ALA 106 CO 0.01 -0.03 0.20 -0.65 0.00 0.00 0.00 175.76 175.29 1vdg s GLN 107 N -1.85 1.19 0.27 0.00 -1.52 0.16 -4.20 119.66 113.71 1vdg s GLN 107 Ca 0.49 -1.82 0.24 0.00 -1.95 0.00 0.00 55.36 52.33 1vdg s GLN 107 Cb -0.25 -2.34 0.49 0.00 -0.22 0.00 0.00 33.01 30.69 1vdg s GLN 107 CO 0.31 -1.11 1.56 -1.35 -0.25 0.00 0.00 175.29 174.46 1vdg h PRO 108 N 7.06 0.00 -1.30 2.91 0.11 -1.98 -3.13 132.00 135.67 1vdg h PRO 108 Ca -0.04 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.22 1vdg h PRO 108 Cb 0.95 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.79 1vdg h PRO 108 CO 0.49 0.00 0.73 -1.54 -0.21 0.00 0.00 178.00 177.47 1vdg s SER 109 N -5.13 -0.21 0.00 -2.05 1.04 -1.26 -5.02 113.70 101.07 1vdg s SER 109 Ca 0.07 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1vdg s SER 109 Cb 0.10 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1vdg s SER 109 CO 0.66 -0.14 0.97 -2.65 0.98 0.00 0.00 173.24 173.06 1vdg n PRO 110 N 1.12 0.00 -3.69 4.02 -0.02 -1.26 -4.36 135.00 130.81 1vdg n PRO 110 Ca -0.07 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 1vdg n PRO 110 Cb 0.58 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 32.41 1vdg n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vdg s VAL 111 N -2.94 3.99 0.12 -1.45 1.01 -1.25 0.37 120.40 120.26 1vdg s VAL 111 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1vdg s VAL 111 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1vdg s VAL 111 CO 0.00 -0.31 -0.17 0.68 0.00 0.00 0.00 175.10 175.30 1vdg s VAL 112 N 1.42 1.54 0.21 2.92 -7.23 0.14 -4.95 120.40 114.45 1vdg s VAL 112 Ca 0.01 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 1vdg s VAL 112 Cb -0.21 -1.56 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1vdg s VAL 112 CO 0.03 -0.26 1.33 0.20 -0.31 0.00 0.00 175.10 176.09 1vdg s ASN 113 N -2.26 6.85 0.42 4.85 0.01 -1.26 -0.51 114.94 123.04 1vdg s ASN 113 Ca 0.08 2.46 -0.24 0.00 -0.71 0.00 0.00 52.86 54.46 1vdg s ASN 113 Cb -0.07 -2.61 -0.11 0.00 0.41 0.00 0.00 41.25 38.86 1vdg s ASN 113 CO 0.04 -0.56 0.83 -0.24 -1.51 0.00 0.00 177.10 175.66 1vdg n SER 114 N 2.50 0.39 0.00 -1.22 2.88 0.18 -0.26 113.62 118.08 1vdg n SER 114 Ca 0.06 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1vdg n SER 114 Cb 0.42 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1vdg n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdg n GLY 115 N 1.43 2.86 3.91 0.46 0.00 0.35 -4.94 105.19 109.25 1vdg n GLY 115 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1vdg n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vdg s GLY 116 N -2.00 1.62 0.02 -0.02 0.00 0.64 -4.27 107.32 103.30 1vdg s GLY 116 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 44.72 44.10 1vdg s GLY 116 CO 0.00 -0.25 -0.19 -1.31 0.00 0.00 0.00 173.10 171.35 1vdg s ASN 117 N -4.51 3.70 0.09 1.64 0.01 -1.26 0.43 114.94 115.04 1vdg s ASN 117 Ca 0.60 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 52.40 1vdg s ASN 117 Cb -0.11 -0.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 1vdg s ASN 117 CO 0.48 0.28 -0.12 0.54 -1.51 0.00 0.00 177.10 176.77 1vdg s VAL 118 N -0.84 1.04 -0.21 1.60 0.11 -1.22 -5.00 120.40 115.88 1vdg s VAL 118 Ca 0.13 -1.56 -0.10 0.00 -2.93 0.00 0.00 61.98 57.52 1vdg s VAL 118 Cb -0.10 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1vdg s VAL 118 CO 0.03 -0.45 0.13 -0.63 -3.33 0.00 0.00 175.10 170.85 1vdg s ILE 119 N -2.09 5.32 -0.11 7.04 -1.09 -1.19 -1.81 121.20 127.28 1vdg s ILE 119 Ca 0.04 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 1vdg s ILE 119 Cb -0.05 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1vdg s ILE 119 CO 0.01 0.41 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.36 1vdg s LEU 120 N 0.60 3.49 -0.09 2.97 1.43 0.23 0.38 118.68 127.69 1vdg s LEU 120 Ca 0.07 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1vdg s LEU 120 Cb -0.12 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1vdg s LEU 120 CO 0.00 0.30 -0.24 -1.58 0.23 0.00 0.00 176.35 175.07 1vdg s GLN 121 N -0.44 2.93 -0.33 1.70 0.74 -0.03 -0.66 119.66 123.57 1vdg s GLN 121 Ca 0.08 -0.88 -0.06 0.00 0.05 0.00 0.00 55.36 54.54 1vdg s GLN 121 Cb -0.12 -2.27 0.04 0.00 1.10 0.00 0.00 33.01 31.75 1vdg s GLN 121 CO 0.02 0.23 0.10 0.00 -0.55 0.00 0.00 175.29 175.09 1vdg s ASP 123 N 1.41 4.25 -0.05 0.00 2.15 0.13 -0.68 116.67 123.88 1vdg s ASP 123 Ca -0.01 -0.20 0.04 0.00 0.43 0.00 0.00 52.55 52.81 1vdg s ASP 123 Cb -0.19 -0.92 -0.00 0.00 -0.30 0.00 0.00 42.92 41.51 1vdg s ASP 123 CO 0.03 0.31 -0.17 -0.55 -0.17 0.00 0.00 175.17 174.62 1vdg s SER 124 N -1.08 2.15 0.00 -0.34 0.15 -1.02 0.97 113.70 114.54 1vdg s SER 124 Ca 0.14 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.52 1vdg s SER 124 Cb -0.11 -0.67 0.39 0.00 -1.71 0.00 0.00 66.02 63.92 1vdg s SER 124 CO 0.04 0.14 1.27 0.00 1.20 0.00 0.00 173.24 175.88 1vdg n GLN 125 N 3.25 0.02 -3.94 5.44 6.02 -1.26 -4.62 117.38 122.29 1vdg n GLN 125 Ca -0.19 0.33 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 1vdg n GLN 125 Cb 0.53 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.15 1vdg n GLN 125 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1vdg s VAL 126 N -2.94 0.10 0.20 5.09 -7.23 -1.26 -5.13 120.40 109.23 1vdg s VAL 126 Ca 0.05 -0.19 -0.32 0.00 -1.81 0.00 0.00 61.98 59.70 1vdg s VAL 126 Cb 0.06 -0.12 -0.14 0.00 0.56 0.00 0.00 36.38 36.73 1vdg s VAL 126 CO 0.16 -0.06 1.36 0.00 -0.31 0.00 0.00 175.10 176.25 1vdg n ALA 127 N 2.81 0.45 -3.11 1.32 0.00 -1.26 -4.89 120.51 115.83 1vdg n ALA 127 Ca -0.14 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 1vdg n ALA 127 Cb 0.59 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.72 1vdg n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1vdg s PHE 128 N 0.09 -0.24 -2.41 0.00 0.40 -1.26 -5.00 117.98 109.57 1vdg s PHE 128 Ca 0.72 0.57 0.22 0.00 -0.60 0.00 0.00 56.93 57.85 1vdg s PHE 128 Cb -0.74 0.08 0.51 0.00 0.51 0.00 0.00 43.02 43.39 1vdg s PHE 128 CO 0.48 -0.13 1.44 -0.40 0.70 0.00 0.00 175.22 177.32 1vdg n ASP 129 N 2.90 2.95 -3.88 1.36 5.68 -1.21 -4.45 116.55 119.90 1vdg n ASP 129 Ca -0.13 -1.92 -0.11 0.00 -0.50 0.00 0.00 54.79 52.13 1vdg n ASP 129 Cb 0.58 -0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.23 1vdg n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1vdg s GLY 130 N -1.48 0.04 0.07 6.12 0.00 -0.98 -4.44 107.32 106.65 1vdg s GLY 130 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1vdg s GLY 130 CO 0.30 -0.14 -0.04 -1.36 0.00 0.00 0.00 173.10 171.86 1vdg s PHE 131 N -0.70 0.65 -0.05 1.90 0.40 -0.97 -1.44 117.98 117.77 1vdg s PHE 131 Ca -0.08 -1.00 -0.04 0.00 -0.60 0.00 0.00 56.93 55.21 1vdg s PHE 131 Cb -0.05 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.07 1vdg s PHE 131 CO 0.00 -0.29 0.12 0.45 0.70 0.00 0.00 175.22 176.20 1vdg s SER 132 N -2.92 -0.12 -0.12 1.36 0.15 -0.68 -0.02 113.70 111.35 1vdg s SER 132 Ca 0.08 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1vdg s SER 132 Cb 0.07 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1vdg s SER 132 CO -0.08 -0.06 -0.21 -0.22 1.20 0.00 0.00 173.24 173.87 1vdg s LEU 133 N 0.22 2.20 -0.09 3.45 2.96 -0.34 -0.79 118.68 126.28 1vdg s LEU 133 Ca -0.01 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1vdg s LEU 133 Cb -0.02 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1vdg s LEU 133 CO -0.01 0.12 -0.15 0.00 -1.32 0.00 0.00 176.35 175.00 1vdg s LYS 135 N 0.85 3.15 0.00 0.00 2.20 -1.26 -1.80 119.74 122.88 1vdg s LYS 135 Ca -0.10 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1vdg s LYS 135 Cb -0.15 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 1vdg s LYS 135 CO 0.01 -1.93 0.98 0.39 -0.36 0.00 0.00 175.35 174.44 1vdg n GLU 136 N 8.26 0.00 -0.40 4.03 -0.58 -0.19 -4.96 120.64 126.79 1vdg n GLU 136 Ca -0.01 -0.51 -0.10 0.00 -0.42 0.00 0.00 57.16 56.13 1vdg n GLU 136 Cb 0.47 -1.97 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 1vdg n GLU 136 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vdg n GLN 143 N 5.07 -0.57 -4.02 3.49 10.64 -1.26 -4.50 117.38 126.23 1vdg n GLN 143 Ca 0.04 -0.46 -0.10 0.00 -1.83 0.00 0.00 57.00 54.65 1vdg n GLN 143 Cb 0.04 -1.05 -0.11 0.00 -0.86 0.00 0.00 30.24 28.26 1vdg n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1vdg s LEU 145 N -1.81 2.01 0.08 0.00 2.34 -0.63 -4.96 118.68 115.71 1vdg s LEU 145 Ca -0.09 -0.39 0.00 0.00 0.06 0.00 0.00 54.13 53.71 1vdg s LEU 145 Cb -0.06 -1.09 -0.04 0.00 -0.56 0.00 0.00 46.19 44.44 1vdg s LEU 145 CO -0.02 0.23 0.23 0.20 -1.06 0.00 0.00 176.35 175.92 1vdg s ASN 146 N -0.30 6.36 0.00 1.48 -0.87 -1.26 -1.20 114.94 119.15 1vdg s ASN 146 Ca 0.03 0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 1vdg s ASN 146 Cb -0.10 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.18 1vdg s ASN 146 CO 0.01 0.14 0.00 -0.24 -2.57 0.00 0.00 177.10 174.44 1vdg n SER 147 N 0.11 0.65 -4.19 -1.22 2.88 0.97 -4.96 113.62 107.86 1vdg n SER 147 Ca -0.05 -0.79 -0.25 0.00 -1.33 0.00 0.00 58.87 56.44 1vdg n SER 147 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1vdg n SER 147 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1vdg s GLN 148 N -1.38 1.89 0.00 -1.46 -0.21 -1.26 -2.30 119.66 114.95 1vdg s GLN 148 Ca 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 55.36 53.24 1vdg s GLN 148 Cb 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 33.01 33.33 1vdg s GLN 148 CO 0.00 -0.43 0.00 -2.30 -2.12 0.00 0.00 175.29 170.44 1vdg n PRO 149 N -0.89 0.00 -1.25 2.91 -0.02 -1.25 -4.44 135.00 130.06 1vdg n PRO 149 Ca -0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.36 1vdg n PRO 149 Cb 0.65 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.09 1vdg n PRO 149 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vdg n ARG 152 N 0.00 0.19 0.12 -0.52 1.85 -1.26 -4.80 116.66 112.25 1vdg n ARG 152 Ca 0.00 -1.06 -0.02 0.00 -1.00 0.00 0.00 57.85 55.77 1vdg n ARG 152 Cb 0.00 0.47 0.21 0.00 -1.05 0.00 0.00 32.46 32.10 1vdg n ARG 152 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vdg h GLY 153 N 0.17 0.14 -4.51 2.89 0.00 -2.00 -3.47 103.07 96.29 1vdg h GLY 153 Ca -0.54 -0.15 0.27 0.00 0.00 0.00 0.00 47.33 46.91 1vdg h GLY 153 CO -0.27 0.13 0.94 -1.35 0.00 0.00 0.00 176.54 175.99 1vdg s SER 154 N -6.88 -0.05 0.00 0.19 1.04 -1.26 -5.09 113.70 101.64 1vdg s SER 154 Ca -0.03 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1vdg s SER 154 Cb 0.13 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1vdg s SER 154 CO 0.77 -0.06 0.00 -1.54 0.98 0.00 0.00 173.24 173.39 1vdg n SER 155 N 0.30 -1.09 -3.84 7.02 3.41 -1.26 -4.97 113.62 113.20 1vdg n SER 155 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.52 1vdg n SER 155 Cb 0.58 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 1vdg n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vdg s ARG 156 N -0.63 0.75 0.03 4.33 1.70 -1.26 -2.44 118.95 121.42 1vdg s ARG 156 Ca 0.00 -0.70 0.05 0.00 -0.47 0.00 0.00 55.73 54.62 1vdg s ARG 156 Cb 0.00 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1vdg s ARG 156 CO 0.00 -0.23 -0.16 0.00 -1.08 0.00 0.00 175.30 173.84 1vdg s ALA 157 N -2.89 1.34 -0.17 7.88 0.00 0.14 -3.93 121.76 124.12 1vdg s ALA 157 Ca -0.03 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1vdg s ALA 157 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1vdg s ALA 157 CO -0.06 0.29 -0.15 0.42 0.00 0.00 0.00 175.76 176.26 1vdg s ILE 158 N -0.71 2.62 0.02 0.00 1.01 -1.26 -1.19 121.20 121.70 1vdg s ILE 158 Ca 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1vdg s ILE 158 Cb -0.08 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1vdg s ILE 158 CO 0.01 0.51 -0.26 -0.36 0.00 0.00 0.00 174.94 174.84 1vdg s PHE 159 N 1.05 2.28 -0.22 3.97 0.40 0.16 -4.97 117.98 120.65 1vdg s PHE 159 Ca -0.01 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1vdg s PHE 159 Cb -0.15 -1.41 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1vdg s PHE 159 CO -0.04 0.06 -0.14 0.45 0.70 0.00 0.00 175.22 176.25 1vdg s SER 160 N -0.99 3.82 -0.37 1.36 0.15 -1.26 0.77 113.70 117.17 1vdg s SER 160 Ca 0.11 -0.95 -0.17 0.00 0.70 0.00 0.00 55.95 55.64 1vdg s SER 160 Cb -0.10 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1vdg s SER 160 CO 0.01 -0.09 0.47 0.68 1.20 0.00 0.00 173.24 175.51 1vdg s VAL 161 N 1.23 5.05 1.06 4.45 -7.23 -0.75 -4.98 120.40 119.23 1vdg s VAL 161 Ca -0.01 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 60.02 1vdg s VAL 161 Cb -0.16 -3.97 -0.02 0.00 0.56 0.00 0.00 36.38 32.79 1vdg s VAL 161 CO -0.09 -0.27 -0.63 0.61 -0.31 0.00 0.00 175.10 174.42 1vdg n GLY 162 N 4.94 -2.68 0.00 2.32 0.00 -1.26 -3.43 105.19 105.08 1vdg n GLY 162 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1vdg n GLY 162 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vdg n PRO 163 N -0.12 0.00 -2.68 1.61 -0.02 -1.25 -4.76 135.00 127.78 1vdg n PRO 163 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1vdg n PRO 163 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.10 1vdg n PRO 163 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vdg s VAL 164 N 0.00 4.78 0.02 -1.45 1.01 0.17 -4.81 120.40 120.12 1vdg s VAL 164 Ca 0.00 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.01 1vdg s VAL 164 Cb 0.00 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1vdg s VAL 164 CO 0.00 0.12 -0.08 -0.94 0.00 0.00 0.00 175.10 174.21 1vdg s SER 165 N 1.04 0.90 0.12 3.32 1.04 -1.26 0.13 113.70 118.99 1vdg s SER 165 Ca 0.52 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 56.34 1vdg s SER 165 Cb -0.21 -0.04 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 1vdg s SER 165 CO 0.26 -0.04 1.61 -0.65 0.98 0.00 0.00 173.24 175.40 1vdg h PRO 166 N 5.27 -0.49 -1.96 4.02 0.11 -1.96 -3.39 132.00 133.60 1vdg h PRO 166 Ca -0.33 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1vdg h PRO 166 Cb 1.19 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1vdg h PRO 166 CO 0.46 -0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 176.79 1vdg n SER 167 N -5.42 0.00 0.00 -2.05 3.41 -1.26 -4.97 113.62 103.34 1vdg n SER 167 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1vdg n SER 167 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1vdg n SER 167 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1vdg n ARG 169 N 0.98 0.00 -3.71 4.33 0.63 -1.26 -5.30 116.66 112.33 1vdg n ARG 169 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1vdg n ARG 169 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1vdg n ARG 169 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1vdg s TRP 170 N -0.34 1.76 -0.06 -0.14 0.52 -1.26 -5.08 118.94 114.34 1vdg s TRP 170 Ca 0.00 -1.97 0.05 0.00 0.02 0.00 0.00 56.10 54.20 1vdg s TRP 170 Cb 0.00 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1vdg s TRP 170 CO 0.00 -0.85 -0.19 -1.58 0.02 0.00 0.00 176.95 174.35 1vdg s TRP 171 N 1.17 2.57 0.03 -1.98 0.51 -1.26 -0.60 118.94 119.38 1vdg s TRP 171 Ca 0.13 -0.44 0.01 0.00 -2.12 0.00 0.00 56.10 53.68 1vdg s TRP 171 Cb -0.20 -1.63 -0.02 0.00 -0.81 0.00 0.00 33.47 30.81 1vdg s TRP 171 CO -0.15 -0.02 -0.05 0.71 -0.51 0.00 0.00 176.95 176.93 1vdg s TYR 172 N -0.40 0.44 0.02 -1.98 1.51 -0.92 -1.02 117.35 115.00 1vdg s TYR 172 Ca 0.04 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1vdg s TYR 172 Cb -0.12 -0.28 -0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1vdg s TYR 172 CO 0.02 -0.13 -0.06 1.03 -1.11 0.00 0.00 175.55 175.29 1vdg s ARG 173 N -1.45 0.46 0.28 -0.62 0.52 -0.74 0.35 118.95 117.76 1vdg s ARG 173 Ca -0.13 -0.45 0.10 0.00 -0.52 0.00 0.00 55.73 54.74 1vdg s ARG 173 Cb -0.10 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 1vdg s ARG 173 CO -0.00 0.08 -0.16 0.00 0.02 0.00 0.00 175.30 175.24 1vdg s TYR 175 N -2.63 1.17 0.07 0.00 1.51 0.03 -1.34 117.35 116.15 1vdg s TYR 175 Ca 0.29 -1.03 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1vdg s TYR 175 Cb -0.02 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1vdg s TYR 175 CO 0.14 -0.23 -0.20 0.00 -1.11 0.00 0.00 175.55 174.15 1vdg s ALA 176 N -3.69 1.66 0.28 3.71 0.00 -1.26 -1.68 121.76 120.79 1vdg s ALA 176 Ca 0.23 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1vdg s ALA 176 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1vdg s ALA 176 CO 0.03 0.35 0.58 1.52 0.00 0.00 0.00 175.76 178.24 1vdg s TYR 177 N -0.97 0.27 -0.17 0.00 -0.85 -0.52 -1.58 117.35 113.52 1vdg s TYR 177 Ca 0.06 -0.68 -0.06 0.00 -0.52 0.00 0.00 57.07 55.87 1vdg s TYR 177 Cb -0.09 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1vdg s TYR 177 CO 0.03 -1.14 0.03 0.34 -1.52 0.00 0.00 175.55 173.29 1vdg s ASP 178 N -3.02 5.40 0.58 -0.18 -1.08 -1.26 -2.31 116.67 114.80 1vdg s ASP 178 Ca 0.20 0.04 0.39 0.00 -0.52 0.00 0.00 52.55 52.65 1vdg s ASP 178 Cb -0.03 -1.89 1.96 0.00 -1.46 0.00 0.00 42.92 41.50 1vdg s ASP 178 CO 0.10 0.19 2.17 0.77 0.52 0.00 0.00 175.17 178.92 1vdg h SER 179 N 6.55 0.00 -0.19 -0.34 4.64 -1.94 0.22 113.55 122.48 1vdg h SER 179 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1vdg h SER 179 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1vdg h SER 179 CO 0.67 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.22 1vdg n ASN 180 N -2.96 1.13 -2.68 4.97 3.02 -1.26 -3.74 115.26 113.74 1vdg n ASN 180 Ca -0.02 -2.02 -0.05 0.00 -0.03 0.00 0.00 54.58 52.47 1vdg n ASN 180 Cb 0.14 -0.16 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 1vdg n ASN 180 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vdg n SER 181 N 0.08 -1.52 0.14 6.41 2.88 -0.02 -5.04 113.62 116.54 1vdg n SER 181 Ca 0.07 -2.21 0.05 0.00 -1.33 0.00 0.00 58.87 55.44 1vdg n SER 181 Cb 0.19 1.20 0.27 0.00 -0.75 0.00 0.00 64.21 65.12 1vdg n SER 181 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1vdg n PRO 182 N -0.12 0.07 0.00 -1.46 -0.04 -0.72 -2.03 135.00 130.70 1vdg n PRO 182 Ca -0.11 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 1vdg n PRO 182 Cb 0.73 -2.06 0.05 0.00 -0.04 0.00 0.00 33.50 32.18 1vdg n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1vdg n TYR 183 N -1.91 0.00 -3.54 0.54 4.02 -1.26 -4.81 117.16 110.20 1vdg n TYR 183 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 1vdg n TYR 183 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.58 1vdg n TYR 183 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1vdg s GLU 184 N -1.32 2.74 0.42 -0.72 2.02 -0.86 -0.96 118.70 120.02 1vdg s GLU 184 Ca 0.16 -1.39 0.03 0.00 0.02 0.00 0.00 54.97 53.80 1vdg s GLU 184 Cb 0.12 -3.88 -0.00 0.00 0.10 0.00 0.00 34.13 30.47 1vdg s GLU 184 CO 0.22 -0.95 0.60 -1.58 0.02 0.00 0.00 175.26 173.57 1vdg s TRP 185 N 1.50 3.11 0.00 1.61 0.52 -0.02 -4.49 118.94 121.18 1vdg s TRP 185 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 56.10 56.15 1vdg s TRP 185 Cb -0.23 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 29.83 1vdg s TRP 185 CO 0.04 -0.30 0.00 -1.13 0.02 0.00 0.00 176.95 175.58 1vdg n SER 186 N -1.94 -0.07 -4.80 2.95 3.41 -0.61 -1.25 113.62 111.31 1vdg n SER 186 Ca 0.02 -0.81 -0.34 0.00 -0.26 0.00 0.00 58.87 57.48 1vdg n SER 186 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1vdg n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vdg s LEU 187 N 0.00 3.85 0.50 1.04 1.43 0.31 0.49 118.68 126.30 1vdg s LEU 187 Ca 0.00 1.95 -0.20 0.00 -1.03 0.00 0.00 54.13 54.85 1vdg s LEU 187 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 1vdg s LEU 187 CO 0.00 -0.80 1.05 -2.16 0.23 0.00 0.00 176.35 174.67 1vdg s PRO 188 N -3.21 3.72 0.88 1.29 0.04 -1.26 -4.15 135.00 132.31 1vdg s PRO 188 Ca 0.67 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1vdg s PRO 188 Cb -0.17 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.41 1vdg s PRO 188 CO 0.21 -0.51 1.13 -1.54 0.04 0.00 0.00 177.00 176.33 1vdg s SER 189 N -1.99 3.79 0.73 6.66 1.04 -0.45 -4.76 113.70 118.72 1vdg s SER 189 Ca 0.68 1.03 -0.15 0.00 0.48 0.00 0.00 55.95 57.99 1vdg s SER 189 Cb -0.17 -1.64 0.04 0.00 0.10 0.00 0.00 66.02 64.35 1vdg s SER 189 CO 0.22 -2.38 1.21 -1.81 0.98 0.00 0.00 173.24 171.45 1vdg s ASP 190 N -4.03 4.17 0.38 7.02 1.01 -1.26 -4.56 116.67 119.39 1vdg s ASP 190 Ca 0.63 2.37 -0.27 0.00 0.71 0.00 0.00 52.55 55.99 1vdg s ASP 190 Cb -0.14 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.10 1vdg s ASP 190 CO 0.53 -2.28 1.35 -0.22 0.21 0.00 0.00 175.17 174.76 1vdg s LEU 191 N -5.15 4.30 -0.33 1.23 2.96 -1.26 -4.66 118.68 115.76 1vdg s LEU 191 Ca 0.75 2.77 0.03 0.00 -0.22 0.00 0.00 54.13 57.47 1vdg s LEU 191 Cb -0.30 -3.77 0.10 0.00 0.50 0.00 0.00 46.19 42.72 1vdg s LEU 191 CO 0.45 -0.78 0.05 -0.22 -1.32 0.00 0.00 176.35 174.54 1vdg s LEU 192 N -2.17 4.39 -0.16 -0.68 2.96 0.16 -4.93 118.68 118.25 1vdg s LEU 192 Ca 0.54 -2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 52.10 1vdg s LEU 192 Cb -0.41 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1vdg s LEU 192 CO 0.54 -0.38 0.94 -0.70 -1.32 0.00 0.00 176.35 175.43 1vdg s GLU 193 N 1.01 4.33 0.19 1.98 2.12 -1.26 -2.17 118.70 124.90 1vdg s GLU 193 Ca 0.11 1.22 -0.20 0.00 0.36 0.00 0.00 54.97 56.46 1vdg s GLU 193 Cb -0.19 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 1vdg s GLU 193 CO -0.10 -0.39 0.70 -0.51 -0.54 0.00 0.00 175.26 174.42 1vdg s LEU 194 N 2.32 4.39 -0.23 2.70 1.43 0.24 -4.88 118.68 124.64 1vdg s LEU 194 Ca 0.43 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1vdg s LEU 194 Cb -0.17 -3.45 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1vdg s LEU 194 CO 0.13 0.09 -0.12 -0.76 0.23 0.00 0.00 176.35 175.92 1vdg s LEU 195 N -1.78 3.00 0.12 1.79 1.02 1.18 -4.54 118.68 119.47 1vdg s LEU 195 Ca 0.40 -1.01 -0.26 0.00 0.02 0.00 0.00 54.13 53.28 1vdg s LEU 195 Cb -0.18 -1.57 -0.07 0.00 0.02 0.00 0.00 46.19 44.39 1vdg s LEU 195 CO 0.21 -0.12 0.79 -0.69 0.02 0.00 0.00 176.35 176.56 1vdg s VAL 196 N 1.23 4.51 0.00 -1.59 1.01 -1.26 0.27 120.40 124.57 1vdg s VAL 196 Ca -0.02 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1vdg s VAL 196 Cb -0.17 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1vdg s VAL 196 CO -0.07 0.45 0.19 0.18 0.00 0.00 0.00 175.10 175.84