#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjx n HIS -2 N 0.00 0.00 -3.49 0.00 -0.00 -1.26 -5.03 115.22 105.44 1vjx n HIS -2 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1vjx n HIS -2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1vjx n HIS -2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1vjx s HIS -1 N -0.70 3.48 0.27 4.41 3.76 -1.26 -1.10 115.29 124.14 1vjx s HIS -1 Ca 0.00 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1vjx s HIS -1 Cb 0.00 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1vjx s HIS -1 CO 0.00 0.26 0.00 0.72 -0.85 0.00 0.00 174.74 174.87 1vjx n HIS 0 N -0.77 -3.29 -4.15 1.40 8.25 -1.26 -5.01 115.22 110.38 1vjx n HIS 0 Ca -0.03 1.71 -0.12 0.00 -0.26 0.00 0.00 57.72 59.02 1vjx n HIS 0 Cb 0.54 -2.65 -0.10 0.00 1.12 0.00 0.00 29.99 28.89 1vjx n HIS 0 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1vjx s LYS 2 N -1.77 0.79 0.27 -0.41 1.02 -1.26 -4.90 119.74 113.48 1vjx s LYS 2 Ca 0.00 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 54.80 1vjx s LYS 2 Cb 0.00 -0.32 0.63 0.00 -0.52 0.00 0.00 37.83 37.61 1vjx s LYS 2 CO 0.00 0.02 1.66 0.28 -0.92 0.00 0.00 175.35 176.39 1vjx h VAL 3 N 3.41 0.37 -0.21 3.17 2.07 -0.98 -1.69 116.25 122.40 1vjx h VAL 3 Ca -0.36 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1vjx h VAL 3 Cb 1.18 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1vjx h VAL 3 CO 0.57 0.04 -0.26 0.77 0.02 0.00 0.00 177.57 178.71 1vjx h SER 4 N 0.23 0.39 -0.68 0.57 4.64 -1.16 -0.70 113.55 116.83 1vjx h SER 4 Ca 0.51 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 1vjx h SER 4 Cb 0.98 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1vjx h SER 4 CO -0.62 0.65 0.22 0.44 -0.87 0.00 0.00 176.83 176.65 1vjx h ASP 5 N 0.34 0.99 -0.08 4.97 3.32 -1.63 -2.38 116.42 121.95 1vjx h ASP 5 Ca 0.05 -0.17 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 1vjx h ASP 5 Cb 0.64 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1vjx h ASP 5 CO 0.05 0.92 -0.75 0.40 -1.72 0.00 0.00 179.24 178.14 1vjx h ILE 6 N 1.03 1.32 -0.73 0.35 1.08 -0.64 -1.63 117.51 118.29 1vjx h ILE 6 Ca 0.23 -2.02 0.08 0.00 -0.39 0.00 0.00 64.86 62.76 1vjx h ILE 6 Cb 0.28 2.22 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 1vjx h ILE 6 CO -0.01 0.62 0.39 -0.07 -0.69 0.00 0.00 178.15 178.39 1vjx h LEU 7 N 0.31 0.55 -0.77 1.44 3.38 -1.14 0.22 115.31 119.31 1vjx h LEU 7 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vjx h LEU 7 Cb 1.40 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1vjx h LEU 7 CO 0.15 0.33 0.49 0.74 0.09 0.00 0.00 178.44 180.24 1vjx h THR 8 N 0.69 1.21 -0.42 0.22 2.02 -1.22 0.24 112.91 115.64 1vjx h THR 8 Ca 0.35 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1vjx h THR 8 Cb 0.30 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1vjx h THR 8 CO -0.23 0.21 0.20 0.58 0.37 0.00 0.00 175.52 176.64 1vjx h VAL 9 N 1.05 1.18 -0.25 3.16 2.07 -0.66 -2.39 116.25 120.40 1vjx h VAL 9 Ca 0.28 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1vjx h VAL 9 Cb -0.08 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1vjx h VAL 9 CO -0.06 0.19 -0.26 0.00 0.02 0.00 0.00 177.57 177.47 1vjx h ALA 10 N 1.05 1.08 -0.52 1.67 0.00 0.11 -2.01 119.26 120.63 1vjx h ALA 10 Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1vjx h ALA 10 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1vjx h ALA 10 CO -0.02 0.56 0.21 0.82 0.00 0.00 0.00 179.25 180.83 1vjx h ILE 11 N 0.43 1.22 -0.15 0.00 2.04 -0.35 -2.40 117.51 118.30 1vjx h ILE 11 Ca 0.06 -0.67 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 1vjx h ILE 11 Cb 0.68 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1vjx h ILE 11 CO 0.05 0.26 -0.55 0.03 0.00 0.00 0.00 178.15 177.94 1vjx h ARG 12 N 0.71 0.43 -0.67 2.37 3.08 -0.88 -1.38 114.38 118.05 1vjx h ARG 12 Ca 0.17 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1vjx h ARG 12 Cb 0.20 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1vjx h ARG 12 CO -0.01 0.87 0.23 -0.07 -1.07 0.00 0.00 179.97 179.91 1vjx h LEU 13 N 0.33 0.96 -0.36 3.04 3.38 -1.26 0.23 115.31 121.63 1vjx h LEU 13 Ca 0.01 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1vjx h LEU 13 Cb 1.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1vjx h LEU 13 CO 0.10 0.90 -0.42 -0.33 0.09 0.00 0.00 178.44 178.77 1vjx h GLU 14 N 0.96 0.92 -0.62 1.13 4.39 -1.24 0.10 114.58 120.23 1vjx h GLU 14 Ca 0.22 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 1vjx h GLU 14 Cb 0.27 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1vjx h GLU 14 CO -0.01 1.16 0.22 0.93 -1.16 0.00 0.00 179.01 180.15 1vjx h GLU 15 N 0.73 0.94 -0.05 2.33 5.08 -1.03 -2.03 114.58 120.56 1vjx h GLU 15 Ca 0.05 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 58.02 1vjx h GLU 15 Cb 1.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1vjx h GLU 15 CO 0.10 0.82 -0.80 0.93 -1.00 0.00 0.00 179.01 179.06 1vjx h GLU 16 N 0.87 0.40 -0.77 2.33 4.39 -0.46 -2.89 114.58 118.45 1vjx h GLU 16 Ca 0.20 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1vjx h GLU 16 Cb 0.25 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1vjx h GLU 16 CO -0.01 1.01 0.43 0.78 -1.16 0.00 0.00 179.01 180.06 1vjx h GLY 17 N 1.30 1.15 0.54 -3.84 0.00 -0.94 -0.07 103.07 101.20 1vjx h GLY 17 Ca -0.05 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 46.81 1vjx h GLY 17 CO 0.14 0.49 -0.10 -2.09 0.00 0.00 0.00 176.54 174.98 1vjx h GLU 18 N 1.07 -0.09 -0.12 4.80 4.81 -1.31 -1.15 114.58 122.58 1vjx h GLU 18 Ca 0.27 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1vjx h GLU 18 Cb 0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1vjx h GLU 18 CO -0.05 -0.06 0.06 0.00 -0.73 0.00 0.00 179.01 178.23 1vjx h ARG 19 N -0.09 0.17 -0.12 1.92 3.08 -1.26 -1.30 114.38 116.77 1vjx h ARG 19 Ca 0.09 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1vjx h ARG 19 Cb 0.23 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1vjx h ARG 19 CO -0.22 0.23 -0.53 0.35 -1.07 0.00 0.00 179.97 178.73 1vjx h PHE 20 N 0.06 -1.58 -0.52 3.04 3.57 -0.94 0.15 116.94 120.72 1vjx h PHE 20 Ca 0.04 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1vjx h PHE 20 Cb 0.12 0.71 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1vjx h PHE 20 CO -0.03 -0.55 0.04 1.88 -2.23 0.00 0.00 178.31 177.43 1vjx h TYR 21 N -0.59 0.90 0.13 0.41 0.05 -1.11 0.44 116.97 117.21 1vjx h TYR 21 Ca 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1vjx h TYR 21 Cb 0.68 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1vjx h TYR 21 CO -0.57 0.80 -0.06 -0.09 -1.05 0.00 0.00 178.16 177.19 1vjx h ARG 22 N 0.80 -0.17 -0.92 4.88 2.43 -1.16 -2.04 114.38 118.20 1vjx h ARG 22 Ca 0.16 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1vjx h ARG 22 Cb 0.42 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1vjx h ARG 22 CO 0.01 0.06 0.61 0.93 -1.51 0.00 0.00 179.97 180.08 1vjx h GLU 23 N -0.38 1.21 -0.37 0.20 5.08 -0.49 -2.15 114.58 117.68 1vjx h GLU 23 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1vjx h GLU 23 Cb 0.30 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1vjx h GLU 23 CO 0.03 0.80 0.18 -0.07 -1.00 0.00 0.00 179.01 178.96 1vjx h LEU 24 N 1.25 0.45 -1.29 1.33 3.38 -0.03 -2.15 115.31 118.25 1vjx h LEU 24 Ca 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1vjx h LEU 24 Cb -0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1vjx h LEU 24 CO -0.07 0.39 0.00 0.77 0.09 0.00 0.00 178.44 179.61 1vjx h SER 25 N 0.52 0.00 1.09 -0.43 4.64 -0.67 0.52 113.55 119.22 1vjx h SER 25 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1vjx h SER 25 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1vjx h SER 25 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1vjx n GLU 26 N -2.36 0.10 0.00 4.77 1.02 -0.81 -3.56 120.64 119.79 1vjx n GLU 26 Ca -0.00 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 1vjx n GLU 26 Cb 0.12 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 1vjx n GLU 26 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1vjx n HIS 27 N -1.79 0.00 -4.25 -0.32 8.25 0.17 -5.02 115.22 112.27 1vjx n HIS 27 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 1vjx n HIS 27 Cb 0.35 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 1vjx n HIS 27 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1vjx s PHE 28 N -2.72 1.49 0.00 4.41 0.08 -1.23 -4.92 117.98 115.08 1vjx s PHE 28 Ca 0.14 -1.52 0.00 0.00 0.12 0.00 0.00 56.93 55.67 1vjx s PHE 28 Cb 0.17 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1vjx s PHE 28 CO 0.70 -0.74 0.00 0.09 -0.10 0.00 0.00 175.22 175.16 1vjx n ASN 29 N -0.95 2.85 0.00 1.36 3.02 -1.26 -4.59 115.26 115.68 1vjx n ASN 29 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1vjx n ASN 29 Cb 0.64 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1vjx n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vjx n GLY 30 N 2.86 2.60 0.37 7.41 0.00 -1.26 -4.65 105.19 112.51 1vjx n GLY 30 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1vjx n GLY 30 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vjx h GLU 31 N 0.00 0.73 -0.16 1.61 4.39 -1.99 -2.63 114.58 116.53 1vjx h GLU 31 Ca 0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1vjx h GLU 31 Cb 0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1vjx h GLU 31 CO 0.00 0.48 0.04 0.82 -1.16 0.00 0.00 179.01 179.19 1vjx h ILE 32 N 0.75 0.94 -0.01 3.13 2.04 -1.97 0.10 117.51 122.49 1vjx h ILE 32 Ca 0.52 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.36 1vjx h ILE 32 Cb 0.81 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1vjx h ILE 32 CO -0.28 0.02 -0.15 0.50 0.00 0.00 0.00 178.15 178.24 1vjx h LYS 33 N 0.11 -0.23 -0.94 2.37 3.64 -1.76 -1.80 116.57 117.96 1vjx h LYS 33 Ca 0.07 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1vjx h LYS 33 Cb 0.05 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1vjx h LYS 33 CO -0.08 -0.16 0.60 -0.22 -2.27 0.00 0.00 179.45 177.32 1vjx h LYS 34 N -0.24 0.87 0.43 1.90 3.64 -1.29 -1.23 116.57 120.65 1vjx h LYS 34 Ca 0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1vjx h LYS 34 Cb 0.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1vjx h LYS 34 CO -0.15 0.57 -0.21 1.15 -2.27 0.00 0.00 179.45 178.55 1vjx h THR 35 N 0.89 0.54 -0.65 1.00 2.02 -0.40 -1.12 112.91 115.19 1vjx h THR 35 Ca 0.45 -0.37 0.10 0.00 0.77 0.00 0.00 66.41 67.37 1vjx h THR 35 Cb 0.50 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1vjx h THR 35 CO -0.22 0.06 0.43 -0.26 0.37 0.00 0.00 175.52 175.91 1vjx h PHE 36 N -0.81 0.51 -0.11 3.16 0.04 -0.76 0.21 116.94 119.18 1vjx h PHE 36 Ca -0.06 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.52 1vjx h PHE 36 Cb 0.55 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1vjx h PHE 36 CO 0.00 0.24 -0.75 -0.07 -0.60 0.00 0.00 178.31 177.13 1vjx h LEU 37 N 0.48 0.70 -0.07 1.54 3.38 -1.02 -1.56 115.31 118.75 1vjx h LEU 37 Ca 0.30 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1vjx h LEU 37 Cb 0.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vjx h LEU 37 CO -0.09 1.23 0.04 -0.33 0.09 0.00 0.00 178.44 179.38 1vjx h GLU 38 N 0.40 0.10 -0.87 1.13 5.08 0.14 -1.32 114.58 119.25 1vjx h GLU 38 Ca -0.04 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1vjx h GLU 38 Cb 1.36 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 1vjx h GLU 38 CO 0.14 0.11 0.51 -0.07 -1.00 0.00 0.00 179.01 178.71 1vjx h LEU 39 N 0.06 0.74 -0.37 1.33 3.38 -0.95 0.21 115.31 119.71 1vjx h LEU 39 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1vjx h LEU 39 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1vjx h LEU 39 CO -0.01 0.41 0.17 0.00 0.09 0.00 0.00 178.44 179.11 1vjx h ALA 40 N 1.48 0.47 -0.71 1.53 0.00 -0.95 -0.99 119.26 120.11 1vjx h ALA 40 Ca 0.43 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1vjx h ALA 40 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1vjx h ALA 40 CO -0.26 0.04 0.16 0.22 0.00 0.00 0.00 179.25 179.41 1vjx h ASP 41 N 0.45 1.08 -0.31 0.00 3.58 -0.57 -1.26 116.42 119.40 1vjx h ASP 41 Ca 0.13 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1vjx h ASP 41 Cb 0.13 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1vjx h ASP 41 CO -0.02 1.04 0.16 1.56 -2.88 0.00 0.00 179.24 179.11 1vjx h GLN 42 N 1.07 0.44 -0.82 0.28 4.20 -0.79 -2.16 115.11 117.33 1vjx h GLN 42 Ca 0.22 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1vjx h GLN 42 Cb 0.39 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 1vjx h GLN 42 CO 0.00 0.38 0.53 0.93 -0.67 0.00 0.00 178.83 180.01 1vjx h GLU 43 N 0.38 1.03 -0.15 1.46 4.39 -1.04 -2.19 114.58 118.46 1vjx h GLU 43 Ca 0.11 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1vjx h GLU 43 Cb 0.08 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.44 1vjx h GLU 43 CO -0.02 0.68 -0.48 -0.09 -1.16 0.00 0.00 179.01 177.94 1vjx h ARG 44 N 1.06 -0.47 -0.94 2.33 2.43 -0.97 -1.51 114.38 116.30 1vjx h ARG 44 Ca 0.32 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 1vjx h ARG 44 Cb -0.04 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 1vjx h ARG 44 CO -0.10 -0.32 0.56 0.82 -1.51 0.00 0.00 179.97 179.43 1vjx h ILE 45 N -0.49 0.85 -0.51 1.20 2.04 -1.15 -0.77 117.51 118.67 1vjx h ILE 45 Ca 0.03 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1vjx h ILE 45 Cb 0.59 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1vjx h ILE 45 CO -0.40 0.16 0.33 0.45 0.00 0.00 0.00 178.15 178.68 1vjx h HIS 46 N 0.85 0.62 -0.60 1.37 3.86 -1.15 -2.08 115.15 118.02 1vjx h HIS 46 Ca 0.49 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1vjx h HIS 46 Cb 0.57 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1vjx h HIS 46 CO -0.03 0.38 0.36 0.00 0.86 0.00 0.00 177.93 179.50 1vjx h ALA 47 N 1.20 0.77 0.00 2.45 0.00 -0.11 -1.15 119.26 122.42 1vjx h ALA 47 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vjx h ALA 47 Cb -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1vjx h ALA 47 CO -0.06 0.25 -0.06 0.93 0.00 0.00 0.00 179.25 180.31 1vjx h GLU 48 N 0.81 0.00 0.05 0.00 5.08 -1.09 0.44 114.58 119.87 1vjx h GLU 48 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1vjx h GLU 48 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1vjx h GLU 48 CO -0.04 0.06 -0.35 0.82 -1.00 0.00 0.00 179.01 178.50 1vjx h ILE 49 N 0.00 1.63 -0.67 3.13 2.04 -0.67 -2.80 117.51 120.17 1vjx h ILE 49 Ca -0.00 -2.32 0.02 0.00 1.00 0.00 0.00 64.86 63.57 1vjx h ILE 49 Cb 0.12 3.17 -0.04 0.00 -0.74 0.00 0.00 36.82 39.33 1vjx h ILE 49 CO 0.01 0.63 0.45 -0.26 0.00 0.00 0.00 178.15 178.97 1vjx h PHE 50 N -0.65 0.80 -0.15 1.37 0.04 -1.06 -2.98 116.94 114.32 1vjx h PHE 50 Ca -0.06 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1vjx h PHE 50 Cb 1.23 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 1vjx h PHE 50 CO 0.23 0.48 -0.05 0.00 -0.60 0.00 0.00 178.31 178.37 1vjx h ARG 51 N 0.85 0.29 -0.70 1.51 3.08 -0.96 -1.90 114.38 116.55 1vjx h ARG 51 Ca 0.26 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1vjx h ARG 51 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1vjx h ARG 51 CO -0.07 0.59 0.00 1.17 -1.07 0.00 0.00 179.97 180.59 1vjx n LYS 52 N -4.68 0.00 0.00 0.04 4.81 -1.06 -2.33 118.16 114.94 1vjx n LYS 52 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1vjx n LYS 52 Cb 0.27 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.23 1vjx n LYS 52 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1vjx n SER 54 N 0.62 0.00 0.04 3.14 3.41 -0.71 -1.23 113.62 118.89 1vjx n SER 54 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1vjx n SER 54 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1vjx n SER 54 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1vjx h ASP 55 N 0.00 0.88 0.00 4.04 3.58 -1.74 -3.41 116.42 119.77 1vjx h ASP 55 Ca 0.00 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1vjx h ASP 55 Cb 0.00 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1vjx h ASP 55 CO 0.00 1.52 -1.70 0.00 -2.88 0.00 0.00 179.24 176.17 1vjx n GLN 56 N -3.89 0.62 -1.81 0.28 6.02 -0.36 -4.96 117.38 113.28 1vjx n GLN 56 Ca -0.11 -0.14 -0.39 0.00 -0.01 0.00 0.00 57.00 56.34 1vjx n GLN 56 Cb 0.88 -1.41 0.03 0.00 1.02 0.00 0.00 30.24 30.75 1vjx n GLN 56 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1vjx s GLU 57 N -3.17 3.45 0.35 -1.09 0.41 -1.26 -4.93 118.70 112.46 1vjx s GLU 57 Ca -0.05 2.31 -0.29 0.00 -0.41 0.00 0.00 54.97 56.54 1vjx s GLU 57 Cb 0.12 -2.47 -0.11 0.00 -1.78 0.00 0.00 34.13 29.89 1vjx s GLU 57 CO 0.73 -0.97 1.40 1.21 -0.49 0.00 0.00 175.26 177.15 1vjx s ASN 58 N -0.73 6.56 0.29 -0.19 3.84 -1.26 -4.79 114.94 118.65 1vjx s ASN 58 Ca 0.66 2.86 0.03 0.00 0.21 0.00 0.00 52.86 56.61 1vjx s ASN 58 Cb -0.42 -2.66 0.62 0.00 -0.55 0.00 0.00 41.25 38.25 1vjx s ASN 58 CO 0.52 -0.71 1.81 -0.25 -2.79 0.00 0.00 177.10 175.68 1vjx h TRP 59 N 3.34 1.12 -0.40 0.43 2.91 -1.97 -1.01 115.95 120.37 1vjx h TRP 59 Ca -0.50 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.51 1vjx h TRP 59 Cb 1.23 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.51 1vjx h TRP 59 CO 0.55 0.37 0.03 -0.44 -1.03 0.00 0.00 178.44 177.93 1vjx h ASP 60 N 0.91 0.59 0.66 2.65 3.32 -1.96 0.28 116.42 122.87 1vjx h ASP 60 Ca 0.53 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 1vjx h ASP 60 Cb 0.64 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.05 1vjx h ASP 60 CO -0.31 0.64 -0.32 -0.08 -1.72 0.00 0.00 179.24 177.45 1vjx h GLU 61 N 0.60 -0.86 -0.55 3.56 4.81 -1.58 -3.29 114.58 117.27 1vjx h GLU 61 Ca 0.13 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1vjx h GLU 61 Cb 0.33 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1vjx h GLU 61 CO 0.01 -0.57 0.37 -0.24 -0.73 0.00 0.00 179.01 177.85 1vjx h VAL 62 N -1.24 0.89 -0.15 0.32 3.04 -1.20 -1.96 116.25 115.95 1vjx h VAL 62 Ca -0.09 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1vjx h VAL 62 Cb 0.68 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1vjx h VAL 62 CO 0.15 0.06 0.00 -0.67 -1.01 0.00 0.00 177.57 176.10 1vjx n ASP 63 N -4.46 1.06 -4.84 3.17 2.03 0.97 -0.68 116.55 113.80 1vjx n ASP 63 Ca 0.09 -1.77 -0.33 0.00 0.52 0.00 0.00 54.79 53.29 1vjx n ASP 63 Cb 0.37 -0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.61 1vjx n ASP 63 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1vjx s SER 64 N -1.32 6.81 0.03 1.67 0.01 -0.74 -4.88 113.70 115.29 1vjx s SER 64 Ca 0.23 1.27 -0.30 0.00 1.31 0.00 0.00 55.95 58.46 1vjx s SER 64 Cb 0.12 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1vjx s SER 64 CO 0.18 -0.14 0.99 -0.31 0.41 0.00 0.00 173.24 174.37 1vjx s TYR 65 N -1.87 3.68 -0.22 2.43 2.02 -1.26 -0.73 117.35 121.41 1vjx s TYR 65 Ca 0.51 1.70 -0.29 0.00 -0.37 0.00 0.00 57.07 58.62 1vjx s TYR 65 Cb -0.12 -3.13 0.01 0.00 -0.40 0.00 0.00 41.96 38.33 1vjx s TYR 65 CO 0.18 -0.04 1.02 -0.51 -1.57 0.00 0.00 175.55 174.63 1vjx s LEU 66 N 0.75 4.11 0.68 -1.29 1.43 -1.26 -4.89 118.68 118.20 1vjx s LEU 66 Ca 0.51 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.82 1vjx s LEU 66 Cb -0.22 -3.51 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1vjx s LEU 66 CO 0.29 -0.64 1.22 0.00 0.23 0.00 0.00 176.35 177.45 1vjx s ALA 67 N 3.05 2.29 0.00 4.21 0.00 -1.26 -4.47 121.76 125.58 1vjx s ALA 67 Ca 0.44 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1vjx s ALA 67 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1vjx s ALA 67 CO 0.07 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1vjx n GLY 68 N 0.48 0.08 3.52 0.00 0.00 -1.26 -4.74 105.19 103.27 1vjx n GLY 68 Ca 0.14 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1vjx n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vjx s TYR 69 N 0.00 3.23 -0.46 1.61 5.04 -1.26 -4.14 117.35 121.37 1vjx s TYR 69 Ca 0.00 -0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.17 1vjx s TYR 69 Cb 0.00 -2.49 0.03 0.00 0.35 0.00 0.00 41.96 39.85 1vjx s TYR 69 CO 0.00 -0.38 0.69 0.00 -1.34 0.00 0.00 175.55 174.52 1vjx s ALA 70 N 1.72 3.32 0.28 3.97 0.00 -0.26 -5.03 121.76 125.76 1vjx s ALA 70 Ca 0.06 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 1vjx s ALA 70 Cb -0.18 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1vjx s ALA 70 CO 0.10 -1.90 1.14 0.12 0.00 0.00 0.00 175.76 175.23 1vjx s PHE 71 N 2.98 3.49 -0.05 0.00 5.36 -1.26 -4.73 117.98 123.77 1vjx s PHE 71 Ca 0.24 1.63 -0.29 0.00 -0.96 0.00 0.00 56.93 57.54 1vjx s PHE 71 Cb -0.14 -3.36 0.09 0.00 -0.34 0.00 0.00 43.02 39.27 1vjx s PHE 71 CO 0.19 -0.81 0.79 1.52 -1.46 0.00 0.00 175.22 175.45 1vjx s TYR 72 N -1.03 -0.52 -0.07 10.12 -0.85 -1.26 -4.53 117.35 119.21 1vjx s TYR 72 Ca 0.46 0.78 0.04 0.00 -0.52 0.00 0.00 57.07 57.83 1vjx s TYR 72 Cb -0.33 0.46 -0.00 0.00 0.38 0.00 0.00 41.96 42.46 1vjx s TYR 72 CO 0.42 -0.55 -0.21 -1.21 -1.52 0.00 0.00 175.55 172.48 1vjx s GLU 73 N -1.71 2.34 0.63 -3.49 0.41 -1.26 -5.14 118.70 110.48 1vjx s GLU 73 Ca -0.05 -0.74 -0.16 0.00 -0.41 0.00 0.00 54.97 53.61 1vjx s GLU 73 Cb -0.00 -1.91 -0.02 0.00 -1.78 0.00 0.00 34.13 30.42 1vjx s GLU 73 CO 0.02 0.24 1.09 0.14 -0.49 0.00 0.00 175.26 176.27 1vjx s VAL 74 N 0.15 3.42 0.28 2.63 -7.23 -1.26 -4.88 120.40 113.51 1vjx s VAL 74 Ca -0.09 0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 60.46 1vjx s VAL 74 Cb -0.15 -3.21 -0.12 0.00 0.56 0.00 0.00 36.38 33.46 1vjx s VAL 74 CO 0.05 -0.39 1.45 0.33 -0.31 0.00 0.00 175.10 176.23 1vjx n PHE 75 N -2.20 2.46 -1.29 2.82 -0.00 -1.26 -4.90 117.46 113.09 1vjx n PHE 75 Ca 0.10 0.40 -0.34 0.00 -0.00 0.00 0.00 57.45 57.60 1vjx n PHE 75 Cb 0.52 -2.50 0.11 0.00 -0.00 0.00 0.00 39.48 37.61 1vjx n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1vjx s PRO 76 N -0.81 1.88 -0.11 -7.13 0.02 -1.26 -4.97 135.00 122.61 1vjx s PRO 76 Ca 0.64 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 1vjx s PRO 76 Cb -0.57 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 1vjx s PRO 76 CO 0.52 -2.06 1.28 0.34 -0.33 0.00 0.00 177.00 176.75 1vjx s ASP 77 N -1.93 6.95 0.00 2.53 -1.08 -1.26 -4.89 116.67 116.99 1vjx s ASP 77 Ca 0.76 1.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.58 1vjx s ASP 77 Cb -0.31 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.60 1vjx s ASP 77 CO 0.48 -0.71 0.62 0.35 0.52 0.00 0.00 175.17 176.43 1vjx n THR 78 N 5.09 0.24 0.26 1.71 -2.24 -1.26 -4.83 114.28 113.25 1vjx n THR 78 Ca 0.13 -0.62 0.08 0.00 -2.27 0.00 0.00 64.05 61.37 1vjx n THR 78 Cb 0.45 0.88 0.63 0.00 -2.10 0.00 0.00 70.33 70.19 1vjx n THR 78 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1vjx h SER 79 N 0.02 0.00 0.08 3.42 4.64 -1.97 -1.65 113.55 118.09 1vjx h SER 79 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vjx h SER 79 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1vjx h SER 79 CO 0.00 0.01 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.61 1vjx h GLU 80 N 0.00 -0.10 -0.72 4.77 4.39 -2.00 -3.02 114.58 117.90 1vjx h GLU 80 Ca -0.00 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1vjx h GLU 80 Cb 0.02 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1vjx h GLU 80 CO 0.00 0.17 0.46 -0.84 -1.16 0.00 0.00 179.01 177.64 1vjx h ILE 81 N -1.00 1.12 0.00 3.13 -0.00 -1.90 -1.24 117.51 117.61 1vjx h ILE 81 Ca -0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 1vjx h ILE 81 Cb 0.32 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.27 1vjx h ILE 81 CO 0.02 0.16 0.00 0.18 -0.00 0.00 0.00 178.15 178.51 1vjx n LEU 82 N -4.64 0.00 0.13 0.16 4.77 -0.63 -0.15 117.00 116.65 1vjx n LEU 82 Ca 0.08 0.38 0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1vjx n LEU 82 Cb 0.07 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1vjx n LEU 82 CO 0.34 -0.31 0.44 -0.09 -1.33 0.00 0.00 177.39 176.44 1vjx h ARG 83 N 0.00 0.00 -7.13 3.23 2.43 -1.08 -3.47 114.38 108.36 1vjx h ARG 83 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1vjx h ARG 83 Cb 0.07 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.72 1vjx h ARG 83 CO 0.00 0.55 0.42 1.03 -1.51 0.00 0.00 179.97 180.46 1vjx s ARG 84 N -2.94 3.00 0.00 0.20 0.52 0.79 -4.97 118.95 115.55 1vjx s ARG 84 Ca 0.04 1.61 0.13 0.00 -0.52 0.00 0.00 55.73 56.99 1vjx s ARG 84 Cb 0.08 -1.96 0.16 0.00 0.52 0.00 0.00 34.95 33.75 1vjx s ARG 84 CO 0.75 -1.13 1.00 1.63 0.02 0.00 0.00 175.30 177.57 1vjx n LYS 85 N -1.81 1.29 -1.69 3.54 5.02 -1.26 -4.58 118.16 118.67 1vjx n LYS 85 Ca 0.12 -1.48 -0.03 0.00 -2.02 0.00 0.00 58.31 54.89 1vjx n LYS 85 Cb 0.51 -1.27 0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1vjx n LYS 85 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1vjx n ASP 86 N 0.73 2.28 -4.76 4.39 5.75 -1.26 -5.09 116.55 118.60 1vjx n ASP 86 Ca 0.09 -2.95 -0.41 0.00 -0.01 0.00 0.00 54.79 51.52 1vjx n ASP 86 Cb 0.36 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1vjx n ASP 86 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1vjx s LEU 87 N -2.63 4.46 0.34 -2.12 1.43 -1.26 -5.02 118.68 113.87 1vjx s LEU 87 Ca 0.38 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 1vjx s LEU 87 Cb 0.37 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 1vjx s LEU 87 CO -0.06 -0.42 0.69 0.42 0.23 0.00 0.00 176.35 177.21 1vjx s THR 88 N -0.74 4.82 0.23 5.49 -4.23 -1.26 -5.00 115.64 114.95 1vjx s THR 88 Ca 0.50 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1vjx s THR 88 Cb -0.36 -3.68 0.19 0.00 1.34 0.00 0.00 72.50 69.98 1vjx s THR 88 CO 0.45 -0.32 1.82 0.25 -0.54 0.00 0.00 174.62 176.28 1vjx h LEU 89 N 1.81 1.12 -0.02 4.79 5.85 -1.95 -3.11 115.31 123.79 1vjx h LEU 89 Ca -0.47 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1vjx h LEU 89 Cb 1.18 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1vjx h LEU 89 CO 0.65 0.94 -0.28 0.50 -0.34 0.00 0.00 178.44 179.91 1vjx h LYS 90 N 1.22 -0.40 -0.35 1.25 3.64 -1.93 0.77 116.57 120.78 1vjx h LYS 90 Ca 0.29 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1vjx h LYS 90 Cb 0.12 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1vjx h LYS 90 CO -0.04 -0.27 -0.09 1.05 -2.27 0.00 0.00 179.45 177.84 1vjx h GLU 91 N -0.42 0.58 -0.08 1.90 4.11 -1.96 -0.48 114.58 118.23 1vjx h GLU 91 Ca 0.07 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1vjx h GLU 91 Cb 0.51 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1vjx h GLU 91 CO -0.25 0.67 -0.03 0.28 0.07 0.00 0.00 179.01 179.74 1vjx h VAL 92 N 0.54 1.32 -0.76 -1.06 2.07 -1.45 -2.84 116.25 114.07 1vjx h VAL 92 Ca 0.10 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1vjx h VAL 92 Cb 0.48 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1vjx h VAL 92 CO 0.03 0.29 0.35 -0.07 0.02 0.00 0.00 177.57 178.18 1vjx h LEU 93 N -0.21 1.01 -0.72 2.57 3.38 -0.69 -1.22 115.31 119.42 1vjx h LEU 93 Ca 0.02 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1vjx h LEU 93 Cb 0.47 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1vjx h LEU 93 CO 0.01 0.87 0.45 0.44 0.09 0.00 0.00 178.44 180.30 1vjx h ASP 94 N 1.09 0.73 -0.22 -0.43 3.32 -1.02 0.18 116.42 120.08 1vjx h ASP 94 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1vjx h ASP 94 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1vjx h ASP 94 CO -0.03 0.50 0.02 0.40 -1.72 0.00 0.00 179.24 178.40 1vjx h ILE 95 N 0.86 1.24 -0.68 0.35 2.04 -1.25 -2.40 117.51 117.68 1vjx h ILE 95 Ca 0.30 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1vjx h ILE 95 Cb 0.05 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1vjx h ILE 95 CO -0.12 0.25 0.39 0.00 0.00 0.00 0.00 178.15 178.67 1vjx h ALA 96 N 0.82 0.90 -0.46 1.87 0.00 -0.59 -1.43 119.26 120.37 1vjx h ALA 96 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1vjx h ALA 96 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vjx h ALA 96 CO 0.01 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 179.95 1vjx h ILE 97 N 0.74 1.27 -0.24 0.00 2.04 -0.61 -1.12 117.51 119.60 1vjx h ILE 97 Ca 0.29 -1.39 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 1vjx h ILE 97 Cb 0.12 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1vjx h ILE 97 CO -0.15 0.48 -0.34 -1.28 0.00 0.00 0.00 178.15 176.85 1vjx h SER 98 N 0.82 0.71 0.54 1.72 0.87 -0.96 -1.86 113.55 115.40 1vjx h SER 98 Ca 0.10 -0.51 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 1vjx h SER 98 Cb 0.81 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1vjx h SER 98 CO 0.07 1.09 -0.77 -0.37 -0.53 0.00 0.00 176.83 176.31 1vjx h VAL 99 N 0.36 1.47 -0.26 2.23 -1.51 -1.29 -2.85 116.25 114.41 1vjx h VAL 99 Ca 0.03 -2.41 -0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1vjx h VAL 99 Cb 0.93 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1vjx h VAL 99 CO 0.08 0.70 0.16 -0.08 -1.23 0.00 0.00 177.57 177.20 1vjx h GLU 100 N 0.11 0.35 -0.74 5.19 4.57 -1.11 -0.15 114.58 122.80 1vjx h GLU 100 Ca -0.03 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1vjx h GLU 100 Cb 1.35 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.82 1vjx h GLU 100 CO 0.12 0.27 0.48 0.87 -1.18 0.00 0.00 179.01 179.57 1vjx h LYS 101 N 0.32 0.65 -0.27 1.92 1.57 -1.35 0.10 116.57 119.53 1vjx h LYS 101 Ca 0.09 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1vjx h LYS 101 Cb 0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1vjx h LYS 101 CO -0.02 0.43 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.63 1vjx h ASP 102 N 0.67 0.65 -0.11 0.86 3.32 -1.15 -2.80 116.42 117.87 1vjx h ASP 102 Ca 0.33 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1vjx h ASP 102 Cb 0.42 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1vjx h ASP 102 CO -0.12 0.97 -0.16 0.28 -1.72 0.00 0.00 179.24 178.50 1vjx h SER 103 N 0.34 0.47 -0.53 6.45 0.02 -0.56 -2.76 113.55 116.97 1vjx h SER 103 Ca 0.05 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1vjx h SER 103 Cb 0.77 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1vjx h SER 103 CO 0.06 0.65 0.22 0.40 -1.14 0.00 0.00 176.83 177.01 1vjx h ILE 104 N 0.44 1.21 -0.63 3.27 2.04 -0.65 -0.74 117.51 122.45 1vjx h ILE 104 Ca 0.08 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1vjx h ILE 104 Cb 0.53 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1vjx h ILE 104 CO 0.03 0.25 0.34 0.40 0.00 0.00 0.00 178.15 179.18 1vjx h ILE 105 N 0.72 0.97 -0.47 -0.67 2.04 -1.38 -1.17 117.51 117.55 1vjx h ILE 105 Ca 0.18 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1vjx h ILE 105 Cb 0.18 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1vjx h ILE 105 CO -0.02 0.12 0.02 0.25 0.00 0.00 0.00 178.15 178.52 1vjx h LEU 106 N 0.64 0.79 -1.14 1.44 5.85 -1.16 -1.13 115.31 120.60 1vjx h LEU 106 Ca 0.28 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1vjx h LEU 106 Cb 0.16 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1vjx h LEU 106 CO -0.17 0.89 -0.20 1.88 -0.34 0.00 0.00 178.44 180.50 1vjx h TYR 107 N 0.66 0.40 -0.75 1.25 0.05 -0.77 -1.46 116.97 116.35 1vjx h TYR 107 Ca 0.14 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1vjx h TYR 107 Cb 0.47 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1vjx h TYR 107 CO 0.04 0.55 0.48 1.88 -1.05 0.00 0.00 178.16 180.05 1vjx h TYR 108 N 0.33 0.96 -0.40 4.88 0.05 -0.79 -1.88 116.97 120.12 1vjx h TYR 108 Ca 0.06 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.87 1vjx h TYR 108 Cb 0.54 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 1vjx h TYR 108 CO 0.01 0.63 0.23 0.93 -1.05 0.00 0.00 178.16 178.91 1vjx h GLU 109 N 1.02 0.46 -0.32 4.88 5.08 -0.62 -1.86 114.58 123.22 1vjx h GLU 109 Ca 0.27 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1vjx h GLU 109 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1vjx h GLU 109 CO -0.06 0.30 0.18 1.25 -1.00 0.00 0.00 179.01 179.69 1vjx h LEU 110 N 0.47 0.29 -0.68 1.33 5.85 -1.20 -2.79 115.31 118.58 1vjx h LEU 110 Ca 0.16 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1vjx h LEU 110 Cb 0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1vjx h LEU 110 CO -0.08 0.21 0.39 0.50 -0.34 0.00 0.00 178.44 179.13 1vjx h LYS 111 N 0.37 0.72 0.00 1.25 3.64 -0.89 -0.88 116.57 120.78 1vjx h LYS 111 Ca 0.13 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1vjx h LYS 111 Cb 0.01 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1vjx h LYS 111 CO -0.06 0.47 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.12 1vjx h ASP 112 N 0.74 0.00 0.59 4.20 5.19 -1.10 -2.91 116.42 123.13 1vjx h ASP 112 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1vjx h ASP 112 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1vjx h ASP 112 CO -0.17 0.03 -1.10 0.61 -3.12 0.00 0.00 179.24 175.49 1vjx n GLY 113 N -1.00 -1.28 3.77 2.75 0.00 -0.39 -4.86 105.19 104.18 1vjx n GLY 113 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1vjx n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vjx s LEU 114 N -4.47 4.37 -0.08 0.99 1.43 -0.85 -4.94 118.68 115.13 1vjx s LEU 114 Ca 0.01 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.19 1vjx s LEU 114 Cb 0.13 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 1vjx s LEU 114 CO 0.80 -0.20 -0.01 0.52 0.23 0.00 0.00 176.35 177.70 1vjx n VAL 115 N 0.64 0.53 -2.27 -1.59 0.31 -1.26 -4.91 118.33 109.78 1vjx n VAL 115 Ca 0.02 -0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 1vjx n VAL 115 Cb 0.48 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1vjx n VAL 115 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1vjx s ASN 116 N -4.24 6.92 0.40 4.52 3.84 -1.26 -4.93 114.94 120.19 1vjx s ASN 116 Ca -0.07 2.15 0.21 0.00 0.21 0.00 0.00 52.86 55.36 1vjx s ASN 116 Cb 0.03 -2.57 0.61 0.00 -0.55 0.00 0.00 41.25 38.77 1vjx s ASN 116 CO 0.28 -0.62 1.69 0.77 -2.79 0.00 0.00 177.10 176.44 1vjx h SER 117 N 7.15 0.00 -0.01 -4.21 4.64 -1.99 -2.03 113.55 117.10 1vjx h SER 117 Ca -0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1vjx h SER 117 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1vjx h SER 117 CO 0.86 0.27 -0.01 0.44 -0.87 0.00 0.00 176.83 177.52 1vjx h ASP 118 N 0.00 0.04 -0.20 4.97 5.19 -1.99 -1.92 116.42 122.50 1vjx h ASP 118 Ca -0.00 -0.48 0.06 0.00 -0.62 0.00 0.00 57.03 55.98 1vjx h ASP 118 Cb 0.96 -0.01 -0.07 0.00 0.18 0.00 0.00 39.33 40.39 1vjx h ASP 118 CO 0.04 0.51 -0.28 0.00 -3.12 0.00 0.00 179.24 176.39 1vjx h ALA 119 N 0.52 -0.24 -0.84 3.45 0.00 -1.95 0.38 119.26 120.58 1vjx h ALA 119 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1vjx h ALA 119 Cb 0.50 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1vjx h ALA 119 CO 0.00 -0.73 0.51 1.96 0.00 0.00 0.00 179.25 181.00 1vjx h GLN 120 N -0.31 0.87 -0.45 0.00 4.20 -1.43 -1.24 115.11 116.75 1vjx h GLN 120 Ca 0.12 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1vjx h GLN 120 Cb 0.50 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1vjx h GLN 120 CO -0.38 0.57 0.03 -0.22 -0.67 0.00 0.00 178.83 178.16 1vjx h LYS 121 N 0.89 0.71 -0.60 1.46 3.64 -0.87 -1.11 116.57 120.70 1vjx h LYS 121 Ca 0.39 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1vjx h LYS 121 Cb 0.26 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1vjx h LYS 121 CO -0.20 0.71 0.04 1.15 -2.27 0.00 0.00 179.45 178.88 1vjx h THR 122 N 0.68 1.26 -0.05 1.00 2.02 -0.17 -2.27 112.91 115.38 1vjx h THR 122 Ca 0.14 -1.09 -0.20 0.00 0.77 0.00 0.00 66.41 66.04 1vjx h THR 122 Cb 0.38 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1vjx h THR 122 CO 0.01 0.40 -0.80 0.58 0.37 0.00 0.00 175.52 176.07 1vjx h VAL 123 N 0.93 1.40 -0.96 3.16 2.07 -1.06 -2.95 116.25 118.83 1vjx h VAL 123 Ca 0.18 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.43 1vjx h VAL 123 Cb 0.50 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1vjx h VAL 123 CO 0.02 0.68 0.63 0.50 0.02 0.00 0.00 177.57 179.42 1vjx h LYS 124 N 0.25 1.27 -0.45 1.57 3.64 -1.01 -0.94 116.57 120.90 1vjx h LYS 124 Ca -0.05 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1vjx h LYS 124 Cb 1.40 -0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1vjx h LYS 124 CO 0.14 0.85 0.09 -0.22 -2.27 0.00 0.00 179.45 178.04 1vjx h LYS 125 N 1.31 0.22 -0.40 1.90 3.64 -1.36 -0.96 116.57 120.92 1vjx h LYS 125 Ca 0.35 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1vjx h LYS 125 Cb -0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1vjx h LYS 125 CO -0.07 0.14 0.18 0.82 -2.27 0.00 0.00 179.45 178.25 1vjx h ILE 126 N 0.22 1.18 -0.22 2.00 2.04 -1.31 -1.39 117.51 120.03 1vjx h ILE 126 Ca 0.22 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1vjx h ILE 126 Cb 0.29 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1vjx h ILE 126 CO -0.29 0.20 0.03 0.40 0.00 0.00 0.00 178.15 178.49 1vjx h ILE 127 N 0.51 0.89 -0.68 -0.67 2.04 -1.01 0.22 117.51 118.81 1vjx h ILE 127 Ca 0.14 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1vjx h ILE 127 Cb 0.14 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1vjx h ILE 127 CO -0.02 0.02 0.33 0.44 0.00 0.00 0.00 178.15 178.93 1vjx h ASP 128 N 0.11 0.43 -0.29 1.72 3.32 -1.03 0.10 116.42 120.79 1vjx h ASP 128 Ca 0.10 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1vjx h ASP 128 Cb 0.10 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1vjx h ASP 128 CO -0.14 0.26 -0.25 1.56 -1.72 0.00 0.00 179.24 178.94 1vjx h GLN 129 N 0.58 0.78 -0.37 3.56 4.20 -0.91 -2.21 115.11 120.74 1vjx h GLN 129 Ca 0.33 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1vjx h GLN 129 Cb 0.33 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1vjx h GLN 129 CO -0.26 0.95 -0.04 0.93 -0.67 0.00 0.00 178.83 179.75 1vjx h GLU 130 N 0.68 0.61 0.00 1.46 4.39 -0.03 -1.69 114.58 119.99 1vjx h GLU 130 Ca 0.09 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1vjx h GLU 130 Cb 0.78 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1vjx h GLU 130 CO 0.06 0.65 -0.54 0.87 -1.16 0.00 0.00 179.01 178.90 1vjx h LYS 131 N 0.57 0.00 -0.09 2.33 1.57 -0.57 -1.76 116.57 118.62 1vjx h LYS 131 Ca 0.11 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 1vjx h LYS 131 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1vjx h LYS 131 CO 0.02 0.54 -0.52 0.93 -0.57 0.00 0.00 179.45 179.85 1vjx h GLU 132 N 0.00 0.24 -0.11 3.15 4.39 -1.10 -2.16 114.58 118.99 1vjx h GLU 132 Ca -0.01 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1vjx h GLU 132 Cb 1.14 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1vjx h GLU 132 CO 0.07 0.70 0.05 0.45 -1.16 0.00 0.00 179.01 179.12 1vjx h HIS 133 N 0.19 0.16 -0.33 4.33 3.86 -0.82 -1.75 115.15 120.78 1vjx h HIS 133 Ca 0.00 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1vjx h HIS 133 Cb 0.98 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 1vjx h HIS 133 CO 0.02 0.23 0.07 1.25 0.86 0.00 0.00 177.93 180.35 1vjx h LEU 134 N 0.04 0.01 -1.06 2.43 5.85 -1.35 0.28 115.31 121.51 1vjx h LEU 134 Ca 0.04 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1vjx h LEU 134 Cb 0.13 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1vjx h LEU 134 CO -0.00 0.04 0.63 -0.09 -0.34 0.00 0.00 178.44 178.68 1vjx h ARG 135 N 0.18 1.06 -0.31 1.25 2.43 -1.31 -0.66 114.38 117.02 1vjx h ARG 135 Ca 0.16 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1vjx h ARG 135 Cb 0.18 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1vjx h ARG 135 CO -0.21 0.70 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.63 1vjx h LYS 136 N 1.09 0.62 -0.92 0.20 1.63 -0.52 -0.04 116.57 118.63 1vjx h LYS 136 Ca 0.43 -0.25 0.06 0.00 -0.85 0.00 0.00 60.65 60.04 1vjx h LYS 136 Cb 0.25 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 1vjx h LYS 136 CO -0.18 0.82 0.58 -0.07 -3.45 0.00 0.00 179.45 177.15 1vjx h LEU 137 N 0.38 0.93 -0.58 5.20 3.38 -0.50 -2.65 115.31 121.48 1vjx h LEU 137 Ca 0.07 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1vjx h LEU 137 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1vjx h LEU 137 CO 0.04 0.60 -0.64 -0.07 0.09 0.00 0.00 178.44 178.46 1vjx h LEU 138 N 1.07 0.33 -0.93 1.67 3.38 -0.92 -1.26 115.31 118.65 1vjx h LEU 138 Ca 0.39 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vjx h LEU 138 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1vjx h LEU 138 CO -0.17 0.88 0.00 1.21 0.09 0.00 0.00 178.44 180.45 1vjx n GLU 139 N -3.86 0.12 0.00 1.13 2.13 -0.05 -1.08 120.64 119.04 1vjx n GLU 139 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1vjx n GLU 139 Cb 0.64 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.30 1vjx n GLU 139 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1vjx n LYS 141 N 0.37 0.00 -0.19 5.31 4.81 -0.48 -1.37 118.16 126.62 1vjx n LYS 141 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1vjx n LYS 141 Cb 0.03 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.14 1vjx n LYS 141 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1vjx h ARG 142 N 0.00 1.00 0.00 1.64 2.43 -1.37 -2.99 114.38 115.09 1vjx h ARG 142 Ca 0.00 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1vjx h ARG 142 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1vjx h ARG 142 CO 0.00 0.98 -0.54 0.93 -1.51 0.00 0.00 179.97 179.83 1vjx h GLU 143 N 0.92 0.00 -0.52 0.20 5.08 -1.47 -3.40 114.58 115.40 1vjx h GLU 143 Ca 0.17 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1vjx h GLU 143 Cb 0.53 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1vjx h GLU 143 CO 0.03 0.39 0.13 -1.13 -1.00 0.00 0.00 179.01 177.43 1vjx n SER 144 N -4.60 4.01 0.00 1.42 3.41 -1.26 -5.22 113.62 111.38 1vjx n SER 144 Ca -0.13 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1vjx n SER 144 Cb 0.35 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1vjx n SER 144 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29