#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vmj s LYS 2 N 0.00 3.55 0.04 2.12 1.02 0.72 -4.96 119.74 122.23 1vmj s LYS 2 Ca 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.73 1vmj s LYS 2 Cb 0.00 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 1vmj s LYS 2 CO 0.00 0.51 0.04 -1.54 -0.92 0.00 0.00 175.35 173.43 1vmj s SER 3 N -2.54 0.28 -0.06 2.83 1.04 -1.26 -1.69 113.70 112.30 1vmj s SER 3 Ca 0.39 -0.66 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 1vmj s SER 3 Cb -0.12 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1vmj s SER 3 CO 0.26 -0.49 0.18 -0.47 0.98 0.00 0.00 173.24 173.69 1vmj s TYR 4 N -2.75 -0.18 -0.00 5.02 6.14 -0.19 -4.98 117.35 120.40 1vmj s TYR 4 Ca -0.04 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.11 1vmj s TYR 4 Cb -0.00 0.06 0.00 0.00 0.42 0.00 0.00 41.96 42.44 1vmj s TYR 4 CO -0.05 -0.11 -0.01 0.50 0.64 0.00 0.00 175.55 176.51 1vmj s ARG 5 N -0.03 0.11 -0.16 4.97 3.52 -1.26 -0.83 118.95 125.27 1vmj s ARG 5 Ca -0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.44 1vmj s ARG 5 Cb -0.02 -0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.30 1vmj s ARG 5 CO 0.00 0.01 0.41 0.21 -0.81 0.00 0.00 175.30 175.13 1vmj s LYS 6 N 0.07 0.44 -0.12 5.12 2.47 -0.33 -5.01 119.74 122.38 1vmj s LYS 6 Ca -0.00 0.69 -0.14 0.00 -1.56 0.00 0.00 55.97 54.96 1vmj s LYS 6 Cb -0.02 0.10 -0.05 0.00 -1.46 0.00 0.00 37.83 36.40 1vmj s LYS 6 CO -0.00 -0.11 0.32 -1.21 0.16 0.00 0.00 175.35 174.51 1vmj s GLU 7 N 0.86 4.11 -0.17 4.03 2.02 -1.26 -0.55 118.70 127.75 1vmj s GLU 7 Ca -0.05 0.18 -0.04 0.00 0.02 0.00 0.00 54.97 55.07 1vmj s GLU 7 Cb -0.06 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1vmj s GLU 7 CO -0.07 0.38 -0.02 -0.51 0.02 0.00 0.00 175.26 175.06 1vmj s LEU 8 N 0.01 3.31 0.04 1.80 1.43 0.55 -4.96 118.68 120.85 1vmj s LEU 8 Ca 0.19 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1vmj s LEU 8 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1vmj s LEU 8 CO 0.07 0.15 -0.01 0.26 0.23 0.00 0.00 176.35 177.05 1vmj s TRP 9 N 0.50 3.02 0.03 0.29 0.52 -1.26 -0.70 118.94 121.35 1vmj s TRP 9 Ca -0.02 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.15 1vmj s TRP 9 Cb -0.14 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1vmj s TRP 9 CO 0.02 0.46 -0.08 -0.06 0.02 0.00 0.00 176.95 177.32 1vmj s PHE 10 N -1.16 0.66 -0.34 -1.98 0.08 0.57 -4.98 117.98 110.83 1vmj s PHE 10 Ca 0.22 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.85 1vmj s PHE 10 Cb -0.12 -0.40 0.14 0.00 -0.57 0.00 0.00 43.02 42.08 1vmj s PHE 10 CO 0.13 -0.06 0.28 -1.58 -0.10 0.00 0.00 175.22 173.89 1vmj s HIS 11 N -1.15 0.12 0.47 0.36 2.46 -1.26 -0.58 115.29 115.72 1vmj s HIS 11 Ca -0.07 -1.04 -0.20 0.00 0.47 0.00 0.00 55.06 54.22 1vmj s HIS 11 Cb -0.09 -0.65 -0.09 0.00 -0.13 0.00 0.00 32.58 31.62 1vmj s HIS 11 CO 0.00 -0.90 0.99 0.95 -2.47 0.00 0.00 174.74 173.32 1vmj s THR 12 N 1.48 4.18 0.26 0.89 -4.23 -1.26 -4.83 115.64 112.13 1vmj s THR 12 Ca 0.16 1.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.95 1vmj s THR 12 Cb -0.18 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.16 1vmj s THR 12 CO -0.09 -0.37 1.70 0.50 -0.54 0.00 0.00 174.62 175.82 1vmj h LYS 13 N 1.53 0.53 -5.48 3.99 3.64 -1.97 -2.29 116.57 116.52 1vmj h LYS 13 Ca -0.49 -0.21 -0.65 0.00 -1.27 0.00 0.00 60.65 58.04 1vmj h LYS 13 Cb 1.20 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 1vmj h LYS 13 CO 0.60 0.75 -0.57 1.03 -2.27 0.00 0.00 179.45 178.99 1vmj s ARG 14 N -4.50 2.05 0.16 1.90 1.81 -1.26 -4.77 118.95 114.34 1vmj s ARG 14 Ca -0.07 -2.22 -0.15 0.00 -1.72 0.00 0.00 55.73 51.57 1vmj s ARG 14 Cb 0.14 -1.59 0.04 0.00 -0.45 0.00 0.00 34.95 33.08 1vmj s ARG 14 CO 0.80 -0.17 1.81 -0.09 -0.68 0.00 0.00 175.30 176.97 1vmj h ARG 15 N 1.61 0.64 -6.27 3.54 2.43 -1.88 -3.31 114.38 111.14 1vmj h ARG 15 Ca -0.44 -0.05 -0.64 0.00 -0.81 0.00 0.00 59.98 58.05 1vmj h ARG 15 Cb 1.27 -0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.39 1vmj h ARG 15 CO 0.78 0.44 -0.86 1.03 -1.51 0.00 0.00 179.97 179.85 1vmj s ARG 16 N -6.09 1.76 -0.21 0.20 0.52 -1.26 -0.68 118.95 113.18 1vmj s ARG 16 Ca -0.13 -0.87 -0.27 0.00 -0.52 0.00 0.00 55.73 53.94 1vmj s ARG 16 Cb 0.12 -1.75 0.10 0.00 0.52 0.00 0.00 34.95 33.94 1vmj s ARG 16 CO 0.74 0.47 0.91 -2.00 0.02 0.00 0.00 175.30 175.44 1vmj s GLU 17 N -0.72 0.68 -0.16 3.54 2.12 -0.73 -5.00 118.70 118.42 1vmj s GLU 17 Ca 0.09 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.88 1vmj s GLU 17 Cb -0.09 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 1vmj s GLU 17 CO -0.00 -0.14 0.01 -0.06 -0.54 0.00 0.00 175.26 174.53 1vmj s PHE 18 N -0.29 3.15 -0.13 5.30 0.08 -1.26 -0.75 117.98 124.08 1vmj s PHE 18 Ca -0.01 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1vmj s PHE 18 Cb -0.03 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1vmj s PHE 18 CO -0.00 0.12 -0.16 0.42 -0.10 0.00 0.00 175.22 175.49 1vmj s ILE 19 N 0.22 1.64 -0.25 0.64 1.01 -0.04 -4.98 121.20 119.43 1vmj s ILE 19 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1vmj s ILE 19 Cb -0.13 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1vmj s ILE 19 CO 0.02 0.47 1.46 0.21 0.00 0.00 0.00 174.94 177.09 1vmj s ASN 20 N 1.16 6.54 0.00 3.58 3.84 -1.26 -0.86 114.94 127.94 1vmj s ASN 20 Ca -0.02 1.44 0.14 0.00 0.21 0.00 0.00 52.86 54.63 1vmj s ASN 20 Cb -0.14 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.33 1vmj s ASN 20 CO -0.06 -1.15 1.21 2.30 -2.79 0.00 0.00 177.10 176.61 1vmj n ILE 21 N 6.26 0.68 -0.18 -5.21 -5.35 0.54 -4.70 119.36 111.40 1vmj n ILE 21 Ca 0.17 -0.84 -0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1vmj n ILE 21 Cb 0.46 0.75 0.09 0.00 -1.74 0.00 0.00 39.64 39.20 1vmj n ILE 21 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1vmj h THR 22 N 2.66 0.58 0.00 7.28 2.02 -1.87 -1.05 112.91 122.53 1vmj h THR 22 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1vmj h THR 22 Cb 0.73 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1vmj h THR 22 CO 0.00 0.03 -0.12 -0.65 0.37 0.00 0.00 175.52 175.15 1vmj h PRO 23 N 0.16 0.00 -0.16 6.66 0.11 -1.92 -0.90 132.00 135.94 1vmj h PRO 23 Ca 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.36 1vmj h PRO 23 Cb 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1vmj h PRO 23 CO -0.45 0.12 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.33 1vmj h LEU 24 N 0.00 0.33 -1.06 2.35 3.38 -1.56 -2.48 115.31 116.27 1vmj h LEU 24 Ca -0.00 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1vmj h LEU 24 Cb 0.23 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1vmj h LEU 24 CO 0.02 0.66 0.63 -0.07 0.09 0.00 0.00 178.44 179.77 1vmj h LEU 25 N -0.00 1.06 -0.84 1.67 4.07 -0.97 -1.06 115.31 119.25 1vmj h LEU 25 Ca 0.04 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.03 1vmj h LEU 25 Cb 0.53 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.96 1vmj h LEU 25 CO 0.02 0.74 0.53 -0.33 -1.08 0.00 0.00 178.44 178.32 1vmj h GLU 26 N 1.24 0.96 -0.25 1.13 5.08 -1.09 -0.07 114.58 121.58 1vmj h GLU 26 Ca 0.37 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1vmj h GLU 26 Cb -0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1vmj h GLU 26 CO -0.11 0.64 -0.47 1.49 -1.00 0.00 0.00 179.01 179.56 1vmj h GLU 27 N 0.99 0.66 -0.32 2.33 4.57 -0.88 -0.50 114.58 121.44 1vmj h GLU 27 Ca 0.35 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1vmj h GLU 27 Cb 0.09 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1vmj h GLU 27 CO -0.15 0.98 0.08 0.00 -1.18 0.00 0.00 179.01 178.74 1vmj h VAL 29 N 0.20 1.21 0.04 0.00 2.07 -0.81 -0.88 116.25 118.08 1vmj h VAL 29 Ca 0.15 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1vmj h VAL 29 Cb 0.15 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1vmj h VAL 29 CO -0.18 0.25 -0.02 -0.09 0.02 0.00 0.00 177.57 177.55 1vmj h ARG 30 N 0.71 -0.06 0.00 1.57 2.43 -0.78 -2.83 114.38 115.42 1vmj h ARG 30 Ca 0.18 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1vmj h ARG 30 Cb 0.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1vmj h ARG 30 CO -0.02 0.09 -0.24 1.05 -1.51 0.00 0.00 179.97 179.34 1vmj h GLU 31 N -0.19 0.00 0.00 0.20 4.11 -0.93 -2.80 114.58 114.97 1vmj h GLU 31 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1vmj h GLU 31 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vmj h GLU 31 CO 0.01 0.24 -0.07 0.66 0.07 0.00 0.00 179.01 179.92 1vmj h SER 32 N 0.00 0.00 0.00 3.06 4.64 -0.90 -3.46 113.55 116.89 1vmj h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vmj h SER 32 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1vmj h SER 32 CO 0.03 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1vmj n GLY 33 N -1.28 0.41 3.71 -0.77 0.00 -1.06 -4.97 105.19 101.23 1vmj n GLY 33 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1vmj n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vmj s ILE 34 N -2.08 4.19 -0.16 -0.61 1.01 -1.26 -4.94 121.20 117.35 1vmj s ILE 34 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 1vmj s ILE 34 Cb 0.00 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.23 1vmj s ILE 34 CO 0.00 0.11 0.27 0.29 0.00 0.00 0.00 174.94 175.62 1vmj n LYS 35 N 4.00 0.68 -4.22 2.79 5.02 -0.70 -4.14 118.16 121.59 1vmj n LYS 35 Ca 0.09 0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 56.55 1vmj n LYS 35 Cb 0.47 -1.71 -0.16 0.00 -0.02 0.00 0.00 35.03 33.61 1vmj n LYS 35 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vmj s GLU 36 N -2.48 0.91 0.00 1.97 0.41 0.02 -1.00 118.70 118.53 1vmj s GLU 36 Ca -0.26 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 1vmj s GLU 36 Cb 0.07 -0.88 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1vmj s GLU 36 CO 0.69 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1vmj n GLY 37 N 3.98 -0.75 3.09 -1.39 0.00 -0.48 -1.29 105.19 108.36 1vmj n GLY 37 Ca -0.25 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1vmj n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vmj s LEU 38 N 0.00 1.96 -0.14 0.99 1.43 -0.63 -1.00 118.68 121.28 1vmj s LEU 38 Ca 0.00 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1vmj s LEU 38 Cb 0.00 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1vmj s LEU 38 CO 0.00 0.15 -0.10 -0.22 0.23 0.00 0.00 176.35 176.41 1vmj s LEU 39 N -0.16 2.87 -0.13 1.79 0.20 0.29 -1.70 118.68 121.83 1vmj s LEU 39 Ca 0.02 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 1vmj s LEU 39 Cb -0.07 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1vmj s LEU 39 CO 0.00 0.15 0.03 -0.22 -0.29 0.00 0.00 176.35 176.03 1vmj s LEU 40 N 0.45 3.71 -0.08 -0.68 2.96 0.69 -0.43 118.68 125.30 1vmj s LEU 40 Ca -0.08 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1vmj s LEU 40 Cb -0.15 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.67 1vmj s LEU 40 CO 0.04 0.28 -0.02 0.00 -1.32 0.00 0.00 176.35 175.33 1vmj s ASN 42 N 1.91 0.70 0.11 0.00 4.22 -0.38 -1.05 114.94 120.46 1vmj s ASN 42 Ca 0.05 -0.55 -0.31 0.00 -2.14 0.00 0.00 52.86 49.91 1vmj s ASN 42 Cb -0.12 0.05 -0.08 0.00 1.28 0.00 0.00 41.25 42.38 1vmj s ASN 42 CO -0.06 -0.24 1.37 0.00 -2.04 0.00 0.00 177.10 176.13 1vmj s ALA 43 N -1.46 3.57 -1.40 3.54 0.00 -0.55 -0.58 121.76 124.87 1vmj s ALA 43 Ca -0.11 1.09 0.27 0.00 0.00 0.00 0.00 51.96 53.21 1vmj s ALA 43 Cb -0.10 -3.52 0.86 0.00 0.00 0.00 0.00 23.12 20.36 1vmj s ALA 43 CO -0.00 -0.59 1.64 -1.33 0.00 0.00 0.00 175.76 175.48 1vmj n MET 44 N 3.88 0.44 -4.17 0.00 0.00 -0.37 -4.83 117.12 112.07 1vmj n MET 44 Ca 0.11 -0.21 -0.30 0.00 0.00 0.00 0.00 57.70 57.30 1vmj n MET 44 Cb 0.43 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.06 1vmj n MET 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1vmj s HIS 45 N -2.71 2.89 -1.82 2.03 3.76 -1.26 -4.98 115.29 113.20 1vmj s HIS 45 Ca 0.20 -0.08 0.14 0.00 -0.15 0.00 0.00 55.06 55.18 1vmj s HIS 45 Cb 0.19 -1.50 0.44 0.00 1.11 0.00 0.00 32.58 32.82 1vmj s HIS 45 CO 0.56 0.46 1.35 0.44 -0.85 0.00 0.00 174.74 176.70 1vmj n ILE 46 N 0.64 0.78 -1.36 0.60 -5.35 -1.26 -3.40 119.36 110.01 1vmj n ILE 46 Ca -0.12 -0.67 0.08 0.00 -0.27 0.00 0.00 62.75 61.76 1vmj n ILE 46 Cb 0.52 0.24 0.13 0.00 -1.74 0.00 0.00 39.64 38.79 1vmj n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1vmj n THR 47 N 0.85 1.61 -3.95 7.28 -2.24 -1.26 -4.35 114.28 112.22 1vmj n THR 47 Ca 0.16 -2.08 -0.10 0.00 -2.27 0.00 0.00 64.05 59.76 1vmj n THR 47 Cb 0.46 -0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1vmj n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vmj s ALA 48 N -2.43 -0.07 0.13 6.98 0.00 -1.22 -2.70 121.76 122.45 1vmj s ALA 48 Ca 0.29 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1vmj s ALA 48 Cb 0.26 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.23 1vmj s ALA 48 CO -0.00 -0.67 -0.12 -1.12 0.00 0.00 0.00 175.76 173.84 1vmj s SER 49 N -2.97 1.88 -0.10 0.00 0.01 0.34 -4.75 113.70 108.11 1vmj s SER 49 Ca 0.17 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.60 1vmj s SER 49 Cb 0.03 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1vmj s SER 49 CO 0.01 -0.21 -0.20 -0.69 0.41 0.00 0.00 173.24 172.56 1vmj s VAL 50 N -2.49 1.79 0.18 3.43 1.01 -1.16 -0.42 120.40 122.74 1vmj s VAL 50 Ca 0.10 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1vmj s VAL 50 Cb -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1vmj s VAL 50 CO 0.02 0.50 0.35 0.72 0.00 0.00 0.00 175.10 176.69 1vmj s PHE 51 N 0.64 0.28 -0.14 5.22 -0.71 -0.73 -3.30 117.98 119.24 1vmj s PHE 51 Ca -0.13 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.13 1vmj s PHE 51 Cb -0.16 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1vmj s PHE 51 CO 0.03 -0.78 -0.15 0.42 -1.34 0.00 0.00 175.22 173.41 1vmj s ILE 52 N -3.95 2.77 0.00 -4.49 1.01 -1.26 -0.41 121.20 114.87 1vmj s ILE 52 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1vmj s ILE 52 Cb 0.02 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1vmj s ILE 52 CO -0.00 0.52 0.00 -3.20 0.00 0.00 0.00 174.94 172.26 1vmj n ASN 53 N 3.79 0.00 -4.79 3.58 2.85 -0.66 -4.92 115.26 115.11 1vmj n ASN 53 Ca -0.19 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.91 1vmj n ASN 53 Cb 0.52 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.48 1vmj n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1vmj s ASP 54 N 2.00 7.27 -1.08 1.20 -1.08 -1.26 -2.49 116.67 121.22 1vmj s ASP 54 Ca 0.00 1.70 -0.13 0.00 -0.52 0.00 0.00 52.55 53.60 1vmj s ASP 54 Cb 0.00 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.13 1vmj s ASP 54 CO 0.00 -0.01 1.20 -0.62 0.52 0.00 0.00 175.17 176.27 1vmj s ASP 55 N -1.58 7.03 -0.07 -0.34 -1.08 -1.26 -4.84 116.67 114.53 1vmj s ASP 55 Ca 0.47 -2.97 -0.03 0.00 -0.52 0.00 0.00 52.55 49.50 1vmj s ASP 55 Cb -0.19 -2.32 0.04 0.00 -1.46 0.00 0.00 42.92 38.99 1vmj s ASP 55 CO 0.23 -0.65 0.15 -0.70 0.52 0.00 0.00 175.17 174.72 1vmj s GLU 56 N 0.78 0.07 0.31 4.34 -6.30 -1.26 -5.06 118.70 111.57 1vmj s GLU 56 Ca 0.34 0.44 0.02 0.00 -2.50 0.00 0.00 54.97 53.27 1vmj s GLU 56 Cb -0.06 -0.22 0.52 0.00 0.00 0.00 0.00 34.13 34.37 1vmj s GLU 56 CO -0.05 -0.22 1.88 -1.00 0.02 0.00 0.00 175.26 175.89 1vmj h PRO 57 N 7.67 0.70 -0.46 4.30 0.13 -2.00 -2.06 132.00 140.29 1vmj h PRO 57 Ca -0.32 -0.13 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1vmj h PRO 57 Cb 1.13 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1vmj h PRO 57 CO 0.32 0.63 0.27 0.78 -0.23 0.00 0.00 178.00 179.77 1vmj h GLY 58 N 0.89 0.65 1.29 1.56 0.00 -1.99 -1.34 103.07 104.12 1vmj h GLY 58 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1vmj h GLY 58 CO -0.00 0.17 -0.06 -2.00 0.00 0.00 0.00 176.54 174.65 1vmj h LEU 59 N 0.54 0.83 -0.68 3.11 5.85 -1.81 -0.38 115.31 122.77 1vmj h LEU 59 Ca 0.19 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1vmj h LEU 59 Cb 0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1vmj h LEU 59 CO -0.09 0.93 0.45 0.45 -0.34 0.00 0.00 178.44 179.85 1vmj h HIS 60 N 0.78 0.85 -0.52 1.25 3.86 -1.07 0.95 115.15 121.24 1vmj h HIS 60 Ca 0.14 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1vmj h HIS 60 Cb 0.55 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1vmj h HIS 60 CO 0.03 0.53 0.32 1.25 0.86 0.00 0.00 177.93 180.92 1vmj h HIS 61 N 0.92 0.59 -0.88 2.45 -0.00 -0.86 -1.92 115.15 115.46 1vmj h HIS 61 Ca 0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1vmj h HIS 61 Cb -0.10 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.08 1vmj h HIS 61 CO -0.03 0.34 0.50 -0.44 -0.00 0.00 0.00 177.93 178.31 1vmj h ASP 62 N 0.63 1.08 -0.61 3.26 3.32 -0.15 -1.41 116.42 122.55 1vmj h ASP 62 Ca 0.21 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1vmj h ASP 62 Cb 0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1vmj h ASP 62 CO -0.09 0.85 0.30 -0.26 -1.72 0.00 0.00 179.24 178.33 1vmj h PHE 63 N 1.22 0.87 -0.13 4.55 0.04 -0.58 -0.24 116.94 122.67 1vmj h PHE 63 Ca 0.31 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 61.07 1vmj h PHE 63 Cb -0.00 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 1vmj h PHE 63 CO 0.01 0.65 -0.05 1.49 -0.60 0.00 0.00 178.31 179.81 1vmj h GLU 64 N 0.83 -0.03 -0.55 1.51 4.57 -0.76 0.47 114.58 120.62 1vmj h GLU 64 Ca 0.21 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1vmj h GLU 64 Cb 0.10 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1vmj h GLU 64 CO -0.03 -0.02 0.28 0.28 -1.18 0.00 0.00 179.01 178.35 1vmj h VAL 65 N -0.03 1.19 -0.41 0.32 2.07 -1.07 -1.84 116.25 116.48 1vmj h VAL 65 Ca 0.07 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1vmj h VAL 65 Cb 0.13 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1vmj h VAL 65 CO -0.15 0.21 -0.07 -0.25 0.02 0.00 0.00 177.57 177.33 1vmj h TRP 66 N 0.74 0.87 -0.17 1.57 7.01 -0.77 -1.91 115.95 123.29 1vmj h TRP 66 Ca 0.19 -0.18 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 1vmj h TRP 66 Cb 0.08 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1vmj h TRP 66 CO -0.01 0.88 -0.34 -0.07 -2.79 0.00 0.00 178.44 176.11 1vmj h LEU 67 N 0.60 0.36 -1.07 0.65 3.38 -0.86 -0.47 115.31 117.90 1vmj h LEU 67 Ca 0.11 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1vmj h LEU 67 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1vmj h LEU 67 CO 0.03 0.69 -0.33 -0.33 0.09 0.00 0.00 178.44 178.59 1vmj h GLU 68 N 0.30 0.23 -0.20 1.13 4.39 -1.14 0.44 114.58 119.74 1vmj h GLU 68 Ca 0.04 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1vmj h GLU 68 Cb 0.75 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1vmj h GLU 68 CO 0.06 0.55 -0.16 0.87 -1.16 0.00 0.00 179.01 179.17 1vmj h LYS 69 N 0.21 0.46 0.01 2.33 1.57 -0.68 -2.74 116.57 117.72 1vmj h LYS 69 Ca 0.03 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.39 1vmj h LYS 69 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1vmj h LYS 69 CO 0.05 0.79 -0.87 -0.07 -0.57 0.00 0.00 179.45 178.78 1vmj h LEU 70 N 0.13 0.12 -5.66 2.94 3.38 -1.00 -3.40 115.31 111.83 1vmj h LEU 70 Ca 0.04 -0.10 -0.44 0.00 0.09 0.00 0.00 57.88 57.46 1vmj h LEU 70 Cb 0.69 -0.04 -0.30 0.00 0.09 0.00 0.00 40.66 41.09 1vmj h LEU 70 CO 0.04 0.93 -0.90 0.00 0.09 0.00 0.00 178.44 178.61 1vmj n ALA 71 N -2.42 1.11 -1.75 1.53 0.00 0.13 -5.06 120.51 114.05 1vmj n ALA 71 Ca -0.02 -2.71 -0.42 0.00 0.00 0.00 0.00 53.44 50.30 1vmj n ALA 71 Cb 0.81 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 1vmj n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vmj n PRO 72 N 1.52 2.63 -0.13 0.00 -0.04 -1.03 -4.59 135.00 133.36 1vmj n PRO 72 Ca 0.17 0.93 -0.07 0.00 -0.04 0.00 0.00 63.50 64.49 1vmj n PRO 72 Cb 0.56 -2.67 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 1vmj n PRO 72 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1vmj h GLU 73 N 3.94 0.50 -6.28 0.54 4.81 -1.91 -3.43 114.58 112.74 1vmj h GLU 73 Ca -0.48 -0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.12 1vmj h GLU 73 Cb 1.24 -0.11 -0.17 0.00 0.63 0.00 0.00 28.75 30.33 1vmj h GLU 73 CO 0.72 0.33 -0.80 0.15 -0.73 0.00 0.00 179.01 178.69 1vmj s LYS 74 N -6.16 1.46 0.44 1.92 1.02 -1.26 -4.09 119.74 113.07 1vmj s LYS 74 Ca -0.13 -1.53 -0.24 0.00 0.02 0.00 0.00 55.97 54.09 1vmj s LYS 74 Cb 0.11 -1.64 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 1vmj s LYS 74 CO 0.72 0.34 1.15 -1.25 -0.92 0.00 0.00 175.35 175.39 1vmj s PRO 75 N -2.90 3.88 0.40 -1.68 0.04 -1.26 -5.05 135.00 128.44 1vmj s PRO 75 Ca 0.21 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1vmj s PRO 75 Cb -0.06 -2.49 0.86 0.00 0.04 0.00 0.00 34.50 32.85 1vmj s PRO 75 CO 0.10 -0.44 2.00 1.88 0.04 0.00 0.00 177.00 180.58 1vmj h TYR 76 N 2.24 0.58 0.00 0.56 0.05 -1.96 -2.53 116.97 115.92 1vmj h TYR 76 Ca -0.49 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1vmj h TYR 76 Cb 1.24 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1vmj h TYR 76 CO 0.54 0.32 0.00 0.66 -1.05 0.00 0.00 178.16 178.64 1vmj h SER 77 N 0.59 0.00 0.88 3.88 4.64 -1.93 -2.44 113.55 119.18 1vmj h SER 77 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1vmj h SER 77 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1vmj h SER 77 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1vmj n GLN 78 N -2.65 0.18 -4.37 4.77 10.64 -0.95 -4.66 117.38 120.33 1vmj n GLN 78 Ca -0.02 0.34 -0.34 0.00 -1.83 0.00 0.00 57.00 55.15 1vmj n GLN 78 Cb 0.08 -1.80 -0.14 0.00 -0.86 0.00 0.00 30.24 27.51 1vmj n GLN 78 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1vmj s TYR 79 N -3.22 2.88 0.44 2.61 2.02 -0.92 -5.00 117.35 116.15 1vmj s TYR 79 Ca 0.06 -0.81 0.19 0.00 -0.37 0.00 0.00 57.07 56.15 1vmj s TYR 79 Cb 0.10 -1.96 1.17 0.00 -0.40 0.00 0.00 41.96 40.88 1vmj s TYR 79 CO 0.43 -0.37 2.02 0.87 -1.57 0.00 0.00 175.55 176.92 1vmj h LYS 80 N 7.33 0.00 -0.14 -0.62 1.57 -1.86 -1.47 116.57 121.38 1vmj h LYS 80 Ca -0.34 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1vmj h LYS 80 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1vmj h LYS 80 CO 0.59 0.17 0.12 1.25 -0.57 0.00 0.00 179.45 181.01 1vmj h HIS 81 N 0.00 0.00 -0.18 -1.35 2.76 -1.94 -2.06 115.15 112.38 1vmj h HIS 81 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1vmj h HIS 81 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1vmj h HIS 81 CO 0.00 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.72 1vmj n ASN 82 N -4.17 1.69 0.26 3.26 3.02 -0.55 -4.46 115.26 114.32 1vmj n ASN 82 Ca 0.00 -1.73 0.14 0.00 -0.03 0.00 0.00 54.58 52.97 1vmj n ASN 82 Cb 0.24 -0.11 0.72 0.00 -0.61 0.00 0.00 39.78 40.02 1vmj n ASN 82 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1vmj h ASP 83 N 2.22 0.00 -0.36 6.41 3.32 -1.47 -2.67 116.42 123.87 1vmj h ASP 83 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1vmj h ASP 83 Cb 0.49 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 1vmj h ASP 83 CO 0.00 0.11 -0.03 0.35 -1.72 0.00 0.00 179.24 177.95 1vmj n THR 84 N -3.46 2.52 0.00 0.35 -2.24 -1.26 -4.95 114.28 105.24 1vmj n THR 84 Ca -0.01 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 1vmj n THR 84 Cb 0.27 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1vmj n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vmj n GLY 85 N -1.00 1.69 3.75 3.38 0.00 -1.01 -5.09 105.19 106.92 1vmj n GLY 85 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 1vmj n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vmj s GLU 86 N -0.49 2.17 -0.03 1.61 0.41 -1.25 -4.97 118.70 116.15 1vmj s GLU 86 Ca 0.00 1.32 0.04 0.00 -0.41 0.00 0.00 54.97 55.92 1vmj s GLU 86 Cb 0.00 -1.88 0.06 0.00 -1.78 0.00 0.00 34.13 30.53 1vmj s GLU 86 CO 0.00 -1.73 0.89 -0.40 -0.49 0.00 0.00 175.26 173.54 1vmj n ASP 87 N -3.34 0.88 -1.42 -0.19 5.68 -1.26 -4.45 116.55 112.45 1vmj n ASP 87 Ca 0.10 -1.96 0.08 0.00 -0.50 0.00 0.00 54.79 52.51 1vmj n ASP 87 Cb 0.52 -0.16 0.33 0.00 -1.14 0.00 0.00 41.12 40.68 1vmj n ASP 87 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1vmj n ASN 88 N -0.40 4.62 -0.27 -1.12 0.23 -1.26 -4.58 115.26 112.47 1vmj n ASN 88 Ca 0.03 -2.61 0.08 0.00 -0.53 0.00 0.00 54.58 51.55 1vmj n ASN 88 Cb 0.55 -0.56 0.22 0.00 -2.08 0.00 0.00 39.78 37.91 1vmj n ASN 88 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vmj h ALA 89 N 3.42 1.15 -0.30 -2.53 0.00 -1.91 0.23 119.26 119.32 1vmj h ALA 89 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1vmj h ALA 89 Cb 1.49 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1vmj h ALA 89 CO 0.26 -0.27 0.20 0.38 0.00 0.00 0.00 179.25 179.82 1vmj h ASP 90 N 0.40 0.27 0.13 0.00 2.03 -1.84 -1.81 116.42 115.60 1vmj h ASP 90 Ca 0.46 -0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.66 1vmj h ASP 90 Cb 0.77 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 1vmj h ASP 90 CO -0.47 0.19 -0.34 0.00 -1.03 0.00 0.00 179.24 177.59 1vmj h ALA 91 N 1.82 1.14 -0.42 4.15 0.00 -1.20 0.11 119.26 124.87 1vmj h ALA 91 Ca 0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1vmj h ALA 91 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vmj h ALA 91 CO -0.03 0.56 -0.15 0.45 0.00 0.00 0.00 179.25 180.08 1vmj h HIS 92 N 0.27 0.86 -0.06 0.00 3.86 -1.30 -1.62 115.15 117.15 1vmj h HIS 92 Ca 0.03 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 1vmj h HIS 92 Cb 0.73 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1vmj h HIS 92 CO 0.02 0.87 -0.12 -0.07 0.86 0.00 0.00 177.93 179.49 1vmj h LEU 93 N 0.69 0.20 -0.69 2.43 3.38 -1.30 -2.88 115.31 117.15 1vmj h LEU 93 Ca 0.11 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1vmj h LEU 93 Cb 0.64 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1vmj h LEU 93 CO 0.04 0.73 0.40 0.11 0.09 0.00 0.00 178.44 179.81 1vmj h LYS 94 N -0.31 0.71 -0.25 1.13 1.57 -0.77 -1.60 116.57 117.05 1vmj h LYS 94 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1vmj h LYS 94 Cb 0.70 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1vmj h LYS 94 CO 0.03 0.47 -0.12 0.07 -0.57 0.00 0.00 179.45 179.33 1vmj h ARG 95 N 0.74 0.41 -0.65 3.15 -0.00 -1.36 -2.23 114.38 114.43 1vmj h ARG 95 Ca 0.30 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.98 60.17 1vmj h ARG 95 Cb 0.16 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.05 1vmj h ARG 95 CO -0.17 0.54 0.39 1.15 -0.00 0.00 0.00 179.97 181.88 1vmj h THR 96 N 0.39 1.19 -0.11 0.08 2.02 -1.07 0.32 112.91 115.72 1vmj h THR 96 Ca 0.07 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1vmj h THR 96 Cb 0.45 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1vmj h THR 96 CO 0.03 0.20 0.07 0.40 0.37 0.00 0.00 175.52 176.59 1vmj h ILE 97 N 0.89 1.05 0.00 3.11 1.08 -0.97 -3.16 117.51 119.50 1vmj h ILE 97 Ca 0.23 -0.11 -0.12 0.00 -0.39 0.00 0.00 64.86 64.48 1vmj h ILE 97 Cb -0.02 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1vmj h ILE 97 CO -0.04 0.04 -0.58 0.24 -0.69 0.00 0.00 178.15 177.11 1vmj h MET 98 N 0.14 0.00 0.00 2.37 2.86 -1.14 -3.49 114.93 115.66 1vmj h MET 98 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1vmj h MET 98 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1vmj h MET 98 CO -0.01 0.58 0.00 0.41 1.06 0.00 0.00 176.91 178.96 1vmj n GLY 99 N 0.89 2.36 0.12 8.32 0.00 0.11 -4.70 105.19 112.29 1vmj n GLY 99 Ca 0.01 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1vmj n GLY 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vmj h ARG 100 N 0.00 0.34 -3.84 1.61 2.43 -1.78 -3.07 114.38 110.08 1vmj h ARG 100 Ca 0.00 -0.55 -0.10 0.00 -0.81 0.00 0.00 59.98 58.52 1vmj h ARG 100 Cb 0.00 0.20 -0.15 0.00 -0.42 0.00 0.00 29.97 29.61 1vmj h ARG 100 CO 0.00 1.26 -0.42 -1.83 -1.51 0.00 0.00 179.97 177.46 1vmj s GLU 101 N -2.70 0.78 0.12 0.20 -1.05 -1.21 -1.49 118.70 113.35 1vmj s GLU 101 Ca -0.05 -0.94 0.09 0.00 -0.15 0.00 0.00 54.97 53.92 1vmj s GLU 101 Cb 0.07 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1vmj s GLU 101 CO 0.90 -0.23 -0.23 0.14 0.95 0.00 0.00 175.26 176.79 1vmj s VAL 102 N -3.63 1.93 -0.11 1.83 -7.23 -0.21 -4.74 120.40 108.25 1vmj s VAL 102 Ca 0.03 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1vmj s VAL 102 Cb 0.04 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.24 1vmj s VAL 102 CO -0.10 -0.02 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.79 1vmj s VAL 103 N -1.19 1.76 -0.05 1.32 1.01 -1.26 -1.23 120.40 120.76 1vmj s VAL 103 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1vmj s VAL 103 Cb -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1vmj s VAL 103 CO 0.05 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 1vmj s ILE 104 N 0.68 1.26 0.32 2.22 1.01 0.43 -4.97 121.20 122.15 1vmj s ILE 104 Ca -0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1vmj s ILE 104 Cb -0.16 -1.11 -0.10 0.00 0.01 0.00 0.00 42.46 41.10 1vmj s ILE 104 CO 0.03 0.37 1.20 0.00 0.00 0.00 0.00 174.94 176.54 1vmj s ALA 105 N 0.33 3.42 -0.22 9.38 0.00 -1.26 -0.55 121.76 132.86 1vmj s ALA 105 Ca -0.09 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1vmj s ALA 105 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1vmj s ALA 105 CO 0.03 -0.42 0.05 0.42 0.00 0.00 0.00 175.76 175.84 1vmj s ILE 106 N -1.18 4.33 -0.04 0.00 -1.09 -0.17 -0.47 121.20 122.57 1vmj s ILE 106 Ca 0.48 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1vmj s ILE 106 Cb -0.35 -2.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1vmj s ILE 106 CO 0.46 0.39 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.65 1vmj s THR 107 N 1.16 0.35 -1.44 2.92 2.01 -0.08 -1.38 115.64 119.18 1vmj s THR 107 Ca 0.04 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1vmj s THR 107 Cb -0.14 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1vmj s THR 107 CO 0.03 0.19 0.37 0.47 -0.69 0.00 0.00 174.62 175.00 1vmj n ASP 108 N 4.23 -0.27 -0.32 3.53 8.00 -0.53 -1.61 116.55 129.58 1vmj n ASP 108 Ca -0.23 -1.05 -0.04 0.00 0.71 0.00 0.00 54.79 54.18 1vmj n ASP 108 Cb 0.51 -2.82 -0.02 0.00 -0.02 0.00 0.00 41.12 38.76 1vmj n ASP 108 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vmj n ARG 109 N -4.43 -1.09 -4.11 -1.24 1.74 -0.17 -4.99 116.66 102.37 1vmj n ARG 109 Ca -0.29 0.51 -0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1vmj n ARG 109 Cb 0.68 -4.45 -0.11 0.00 -1.02 0.00 0.00 32.46 27.56 1vmj n ARG 109 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1vmj s LYS 110 N -1.81 0.65 0.26 5.56 -0.14 -0.63 -4.66 119.74 118.98 1vmj s LYS 110 Ca 0.00 -0.99 -0.31 0.00 -1.36 0.00 0.00 55.97 53.31 1vmj s LYS 110 Cb 0.00 -0.26 -0.11 0.00 -1.68 0.00 0.00 37.83 35.78 1vmj s LYS 110 CO 0.00 0.02 1.63 -1.64 -0.76 0.00 0.00 175.35 174.61 1vmj s MET 111 N -2.48 4.12 -0.96 1.68 -1.94 -1.26 -0.91 119.30 117.56 1vmj s MET 111 Ca -0.01 2.58 -0.14 0.00 -1.71 0.00 0.00 55.69 56.42 1vmj s MET 111 Cb -0.04 -3.04 0.21 0.00 2.01 0.00 0.00 34.83 33.98 1vmj s MET 111 CO -0.02 -0.67 0.99 0.34 -0.01 0.00 0.00 175.02 175.65 1vmj s ASP 112 N 0.71 6.92 0.16 3.03 -1.08 0.38 -4.86 116.67 121.93 1vmj s ASP 112 Ca 0.67 -2.85 0.10 0.00 -0.52 0.00 0.00 52.55 49.95 1vmj s ASP 112 Cb -0.48 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 1vmj s ASP 112 CO 0.43 -0.60 -0.19 -0.76 0.52 0.00 0.00 175.17 174.57 1vmj s LEU 113 N 0.37 2.63 1.05 -1.34 1.43 -1.26 -4.63 118.68 116.92 1vmj s LEU 113 Ca 0.26 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1vmj s LEU 113 Cb -0.08 -1.40 0.23 0.00 0.03 0.00 0.00 46.19 44.96 1vmj s LEU 113 CO -0.08 0.14 1.25 -0.83 0.23 0.00 0.00 176.35 177.06 1vmj s GLY 114 N -2.48 1.71 0.45 -3.19 0.00 -1.26 -4.96 107.32 97.60 1vmj s GLY 114 Ca 0.20 -1.12 0.16 0.00 0.00 0.00 0.00 44.72 43.96 1vmj s GLY 114 CO 0.11 -0.31 1.99 -0.56 0.00 0.00 0.00 173.10 174.33 1vmj h PRO 115 N -1.97 0.00 -0.01 2.90 0.13 -2.04 -3.10 132.00 127.90 1vmj h PRO 115 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vmj h PRO 115 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vmj h PRO 115 CO 0.36 0.19 0.00 0.91 -0.23 0.00 0.00 178.00 179.23 1vmj n TRP 116 N -4.21 0.01 -2.14 1.56 7.02 -1.26 -5.01 117.44 113.41 1vmj n TRP 116 Ca -0.02 -0.31 -0.42 0.00 -1.02 0.00 0.00 57.50 55.72 1vmj n TRP 116 Cb 0.26 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 1vmj n TRP 116 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1vmj s GLU 117 N -0.64 4.22 0.02 -0.99 2.02 -1.18 -4.45 118.70 117.71 1vmj s GLU 117 Ca 0.01 2.03 0.04 0.00 0.02 0.00 0.00 54.97 57.08 1vmj s GLU 117 Cb 0.00 -3.78 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 1vmj s GLU 117 CO 0.01 -0.73 -0.14 -0.65 0.02 0.00 0.00 175.26 173.77 1vmj s GLN 118 N 3.31 0.96 -0.17 1.61 -1.52 -1.04 -4.90 119.66 117.92 1vmj s GLN 118 Ca 0.67 -0.65 -0.11 0.00 -1.95 0.00 0.00 55.36 53.32 1vmj s GLN 118 Cb -0.31 -0.95 -0.05 0.00 -0.22 0.00 0.00 33.01 31.48 1vmj s GLN 118 CO 0.26 0.24 0.18 0.08 -0.25 0.00 0.00 175.29 175.81 1vmj s VAL 119 N -0.67 5.39 0.03 1.09 1.01 -1.26 -1.65 120.40 124.34 1vmj s VAL 119 Ca 0.03 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.39 1vmj s VAL 119 Cb -0.07 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1vmj s VAL 119 CO 0.01 0.47 -0.24 -0.36 0.00 0.00 0.00 175.10 174.98 1vmj s PHE 120 N 0.05 2.08 -0.20 5.22 0.40 0.45 -0.34 117.98 125.64 1vmj s PHE 120 Ca 0.12 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.86 1vmj s PHE 120 Cb -0.12 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1vmj s PHE 120 CO 0.01 0.08 0.58 -0.47 0.70 0.00 0.00 175.22 176.12 1vmj s TYR 121 N -0.75 3.38 -0.46 0.36 5.04 -0.04 -1.77 117.35 123.12 1vmj s TYR 121 Ca 0.10 0.86 -0.10 0.00 -2.44 0.00 0.00 57.07 55.49 1vmj s TYR 121 Cb -0.09 -2.74 0.10 0.00 0.35 0.00 0.00 41.96 39.58 1vmj s TYR 121 CO 0.01 -0.14 0.32 0.20 -1.34 0.00 0.00 175.55 174.61 1vmj s GLY 122 N 1.17 2.02 -0.18 8.97 0.00 0.44 -0.86 107.32 118.88 1vmj s GLY 122 Ca 0.27 -2.39 -0.22 0.00 0.00 0.00 0.00 44.72 42.37 1vmj s GLY 122 CO 0.10 1.06 0.69 1.85 0.00 0.00 0.00 173.10 176.80 1vmj s GLU 123 N 1.40 4.26 0.00 2.90 2.56 0.07 -0.50 118.70 129.39 1vmj s GLU 123 Ca 0.05 0.74 0.06 0.00 0.00 0.00 0.00 54.97 55.82 1vmj s GLU 123 Cb -0.25 -3.56 -0.02 0.00 2.00 0.00 0.00 34.13 32.30 1vmj s GLU 123 CO 0.01 -0.22 0.40 1.19 -0.56 0.00 0.00 175.26 176.07 1vmj n PHE 124 N 4.94 0.00 -2.95 5.30 3.72 -1.10 -1.78 117.46 125.60 1vmj n PHE 124 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1vmj n PHE 124 Cb 0.50 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1vmj n PHE 124 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1vmj n ASP 125 N -0.61 -1.48 -1.43 4.37 2.03 -0.99 -4.63 116.55 113.81 1vmj n ASP 125 Ca 0.02 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1vmj n ASP 125 Cb 0.11 0.73 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 1vmj n ASP 125 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vmj n GLY 126 N 1.44 1.43 2.34 0.27 0.00 0.14 -4.74 105.19 106.08 1vmj n GLY 126 Ca 0.14 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 1vmj n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vmj n MET 127 N 0.00 -1.40 -3.51 1.61 2.81 -0.86 -4.80 117.12 110.97 1vmj n MET 127 Ca 0.00 0.87 -0.13 0.00 -1.81 0.00 0.00 57.70 56.63 1vmj n MET 127 Cb 0.00 -5.34 -0.04 0.00 -0.71 0.00 0.00 33.22 27.13 1vmj n MET 127 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vmj s ARG 128 N -4.83 1.15 -0.07 0.03 1.70 -1.26 -4.94 118.95 110.74 1vmj s ARG 128 Ca 0.00 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 1vmj s ARG 128 Cb 0.00 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 1vmj s ARG 128 CO 0.00 -0.46 1.39 -1.25 -1.08 0.00 0.00 175.30 173.90 1vmj s PRO 129 N -3.13 4.25 0.14 3.89 0.04 -1.26 -4.39 135.00 134.54 1vmj s PRO 129 Ca -0.02 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1vmj s PRO 129 Cb -0.00 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1vmj s PRO 129 CO -0.07 -0.66 -0.04 0.15 0.04 0.00 0.00 177.00 176.41 1vmj s LYS 130 N 3.09 0.99 0.04 4.56 1.02 0.26 -4.97 119.74 124.73 1vmj s LYS 130 Ca 0.62 -1.44 0.05 0.00 0.02 0.00 0.00 55.97 55.22 1vmj s LYS 130 Cb -0.28 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.71 1vmj s LYS 130 CO 0.23 -0.05 -0.14 1.03 -0.92 0.00 0.00 175.35 175.50 1vmj s ARG 131 N -3.85 0.92 -0.04 1.68 0.52 -1.26 -0.31 118.95 116.61 1vmj s ARG 131 Ca 0.18 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1vmj s ARG 131 Cb 0.05 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 1vmj s ARG 131 CO -0.00 0.23 -0.24 0.08 0.02 0.00 0.00 175.30 175.38 1vmj s VAL 132 N -0.90 2.18 -0.14 3.52 1.01 0.13 -1.23 120.40 124.96 1vmj s VAL 132 Ca 0.01 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1vmj s VAL 132 Cb -0.08 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1vmj s VAL 132 CO 0.01 0.58 0.07 -0.22 0.00 0.00 0.00 175.10 175.54 1vmj s LEU 133 N -0.49 3.91 -0.15 3.92 2.96 0.25 -0.33 118.68 128.76 1vmj s LEU 133 Ca 0.06 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1vmj s LEU 133 Cb -0.11 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1vmj s LEU 133 CO 0.01 0.28 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 1vmj s VAL 134 N -0.28 2.78 -0.06 1.68 1.01 0.29 -1.25 120.40 124.57 1vmj s VAL 134 Ca 0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1vmj s VAL 134 Cb -0.12 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1vmj s VAL 134 CO 0.01 0.51 -0.06 -0.75 0.00 0.00 0.00 175.10 174.82 1vmj s LYS 135 N 0.74 1.02 -0.06 2.72 2.47 -0.05 -1.18 119.74 125.39 1vmj s LYS 135 Ca -0.06 -0.15 0.04 0.00 -1.56 0.00 0.00 55.97 54.24 1vmj s LYS 135 Cb -0.15 -1.01 0.00 0.00 -1.46 0.00 0.00 37.83 35.20 1vmj s LYS 135 CO 0.01 -0.10 -0.17 0.42 0.16 0.00 0.00 175.35 175.67 1vmj s ILE 136 N 1.04 1.50 0.07 5.43 1.01 -0.01 -0.23 121.20 130.02 1vmj s ILE 136 Ca -0.09 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1vmj s ILE 136 Cb -0.14 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1vmj s ILE 136 CO -0.00 0.43 -0.18 0.27 0.00 0.00 0.00 174.94 175.46 1vmj s ILE 137 N 0.26 1.48 -5.00 2.92 -4.36 -0.69 -1.02 121.20 114.79 1vmj s ILE 137 Ca -0.10 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1vmj s ILE 137 Cb -0.14 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1vmj s ILE 137 CO 0.04 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.82 1vmj n GLY 138 N 1.46 -0.42 0.00 6.27 0.00 -0.68 -1.61 105.19 110.21 1vmj n GLY 138 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1vmj n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50