#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s h PRO 2 N 0.00 0.00 -1.09 1.61 0.13 -1.98 -3.47 132.00 127.20 2i9s h PRO 2 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2i9s h PRO 2 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2i9s h PRO 2 CO 0.00 0.30 -0.21 0.41 -0.23 0.00 0.00 178.00 178.27 2i9s n GLY 3 N 0.06 0.20 3.75 1.56 0.00 -1.26 -4.98 105.19 104.52 2i9s n GLY 3 Ca -0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2i9s n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 4 N -4.12 4.64 0.00 1.61 2.20 -1.26 -4.89 119.74 117.92 2i9s s LYS 4 Ca 0.00 1.71 -0.00 0.00 -0.36 0.00 0.00 55.97 57.32 2i9s s LYS 4 Cb 0.00 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2i9s s LYS 4 CO 0.00 0.18 2.03 -0.35 -0.36 0.00 0.00 175.35 176.84 2i9s n PRO 5 N 1.87 1.03 0.09 4.03 -0.04 -1.26 -1.78 135.00 138.94 2i9s n PRO 5 Ca 0.01 -0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2i9s n PRO 5 Cb 0.46 -1.10 0.35 0.00 -0.04 0.00 0.00 33.50 33.17 2i9s n PRO 5 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2i9s n GLU 6 N 1.61 0.27 -0.86 0.54 1.02 -1.26 -1.96 120.64 119.99 2i9s n GLU 6 Ca 0.03 0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 57.03 2i9s n GLU 6 Cb 0.51 -1.77 0.14 0.00 -0.02 0.00 0.00 31.44 30.30 2i9s n GLU 6 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2i9s n SER 7 N -2.22 0.06 -4.37 1.62 7.64 -0.73 -1.05 113.62 114.57 2i9s n SER 7 Ca 0.05 0.47 -0.34 0.00 1.01 0.00 0.00 58.87 60.05 2i9s n SER 7 Cb 0.43 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.11 2i9s n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n ILE 8 N -3.75 -0.80 -3.54 0.44 0.13 -1.26 -1.43 119.36 109.15 2i9s n ILE 8 Ca 0.11 -0.34 -0.24 0.00 -1.10 0.00 0.00 62.75 61.19 2i9s n ILE 8 Cb 0.52 -0.95 0.03 0.00 -0.84 0.00 0.00 39.64 38.40 2i9s n ILE 8 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2i9s n LEU 9 N -4.42 -3.69 -2.47 9.51 -0.00 -0.99 -0.61 117.00 114.33 2i9s n LEU 9 Ca -0.19 -0.82 -0.20 0.00 -0.00 0.00 0.00 56.01 54.81 2i9s n LEU 9 Cb 0.62 -2.54 0.01 0.00 -0.00 0.00 0.00 43.42 41.52 2i9s n LEU 9 CO 0.88 0.15 -0.12 2.29 -0.00 0.00 0.00 177.39 180.59 2i9s n LYS 10 N -3.46 -3.02 -1.92 1.47 2.85 -0.22 -0.39 118.16 113.47 2i9s n LYS 10 Ca -0.10 0.88 -0.20 0.00 -1.05 0.00 0.00 58.31 57.84 2i9s n LYS 10 Cb 0.59 -5.50 -0.05 0.00 -0.65 0.00 0.00 35.03 29.42 2i9s n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2i9s n MET 11 N -3.29 -1.57 0.07 -1.58 0.00 0.22 -4.66 117.12 106.31 2i9s n MET 11 Ca -0.16 1.07 0.00 0.00 -0.00 0.00 0.00 57.70 58.61 2i9s n MET 11 Cb 0.64 -5.56 0.00 0.00 0.00 0.00 0.00 33.22 28.30 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2i9s n THR 12 N -2.98 0.00 -3.40 1.12 -1.04 -0.58 -5.07 114.28 102.33 2i9s n THR 12 Ca -0.21 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.83 2i9s n THR 12 Cb 0.66 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 69.11 2i9s n THR 12 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2i9s s LYS 13 N -1.27 0.02 0.37 -2.82 2.20 0.48 -4.99 119.74 113.72 2i9s s LYS 13 Ca 0.00 0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2i9s s LYS 13 Cb 0.00 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2i9s s LYS 13 CO 0.00 -0.00 0.57 0.15 -0.36 0.00 0.00 175.35 175.70 2i9s s LYS 14 N 1.54 2.06 -0.85 4.03 1.02 -1.25 -4.81 119.74 121.47 2i9s s LYS 14 Ca -0.03 -1.73 -0.01 0.00 0.02 0.00 0.00 55.97 54.22 2i9s s LYS 14 Cb -0.01 0.50 0.35 0.00 -0.52 0.00 0.00 37.83 38.14 2i9s s LYS 14 CO -0.13 -0.89 1.89 0.41 -0.92 0.00 0.00 175.35 175.72 2i9s n GLY 15 N -0.58 5.68 3.77 -3.33 0.00 -1.25 -3.95 105.19 105.53 2i9s n GLY 15 Ca -0.01 -2.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.09 2i9s n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9s s LYS 16 N -4.07 4.29 -0.09 1.61 2.47 -1.26 -4.69 119.74 118.00 2i9s s LYS 16 Ca 0.49 0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 55.33 2i9s s LYS 16 Cb 0.38 -3.33 -0.06 0.00 -1.46 0.00 0.00 37.83 33.37 2i9s s LYS 16 CO -0.34 0.41 1.77 0.99 0.16 0.00 0.00 175.35 178.34 2i9s s THR 17 N -0.34 3.43 -0.21 3.43 2.01 -1.26 -2.88 115.64 119.82 2i9s s THR 17 Ca 0.30 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.82 2i9s s THR 17 Cb -0.18 -3.37 0.05 0.00 0.01 0.00 0.00 72.50 69.01 2i9s s THR 17 CO 0.17 -0.10 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.73 2i9s s LEU 18 N 4.79 2.23 -0.35 4.42 1.98 -0.46 -4.83 118.68 126.47 2i9s s LEU 18 Ca 0.79 -1.00 -0.17 0.00 -2.89 0.00 0.00 54.13 50.86 2i9s s LEU 18 Cb -0.33 -1.10 -0.01 0.00 0.66 0.00 0.00 46.19 45.41 2i9s s LEU 18 CO 0.33 -0.21 0.46 0.00 -1.89 0.00 0.00 176.35 175.03 2i9s s MET 19 N 1.47 3.59 -0.29 1.98 0.23 -1.26 -0.51 119.30 124.52 2i9s s MET 19 Ca -0.03 -0.26 -0.13 0.00 -1.03 0.00 0.00 55.69 54.24 2i9s s MET 19 Cb -0.18 -3.81 -0.04 0.00 -1.53 0.00 0.00 34.83 29.28 2i9s s MET 19 CO -0.07 -0.61 0.30 1.41 -2.03 0.00 0.00 175.02 174.02 2i9s s MET 20 N 2.26 3.91 -0.25 3.16 1.75 -0.57 -3.39 119.30 126.17 2i9s s MET 20 Ca 0.16 -0.18 -0.07 0.00 -1.25 0.00 0.00 55.69 54.35 2i9s s MET 20 Cb -0.16 -3.68 -0.02 0.00 2.84 0.00 0.00 34.83 33.81 2i9s s MET 20 CO 0.13 -0.28 0.06 0.12 -0.65 0.00 0.00 175.02 174.40 2i9s s PHE 21 N 1.93 3.08 -0.08 4.11 2.19 -0.42 -1.60 117.98 127.19 2i9s s PHE 21 Ca 0.11 -0.56 0.02 0.00 0.33 0.00 0.00 56.93 56.83 2i9s s PHE 21 Cb -0.16 -2.23 0.01 0.00 -1.31 0.00 0.00 43.02 39.33 2i9s s PHE 21 CO 0.11 -0.41 -0.13 0.54 1.83 0.00 0.00 175.22 177.15 2i9s s VAL 22 N 1.59 1.26 0.18 3.12 0.11 -0.48 -0.36 120.40 125.81 2i9s s VAL 22 Ca 0.06 -0.53 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 2i9s s VAL 22 Cb -0.15 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.47 2i9s s VAL 22 CO 0.03 0.39 0.71 -0.89 -3.33 0.00 0.00 175.10 172.00 2i9s s THR 23 N 0.77 4.55 -0.00 5.04 2.01 0.17 -1.60 115.64 126.57 2i9s s THR 23 Ca -0.12 1.39 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2i9s s THR 23 Cb -0.16 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2i9s s THR 23 CO 0.02 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 2i9s s VAL 24 N -1.34 0.80 0.00 3.82 1.01 0.15 -1.06 120.40 123.78 2i9s s VAL 24 Ca 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2i9s s VAL 24 Cb -0.19 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2i9s s VAL 24 CO 0.22 0.20 0.00 -0.24 0.00 0.00 0.00 175.10 175.28 2i9s n SER 25 N 2.76 0.00 0.00 3.32 2.88 -0.72 -4.78 113.62 117.07 2i9s n SER 25 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2i9s n SER 25 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2i9s n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i9s n GLY 26 N 5.00 0.09 3.33 0.46 0.00 -1.26 -4.57 105.19 108.23 2i9s n GLY 26 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2i9s n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2i9s s ASN 27 N -0.94 3.59 -0.41 1.61 2.47 -1.26 -5.03 114.94 114.97 2i9s s ASN 27 Ca 0.00 -0.40 -0.02 0.00 0.42 0.00 0.00 52.86 52.86 2i9s s ASN 27 Cb 0.00 -1.30 0.23 0.00 -1.45 0.00 0.00 41.25 38.73 2i9s s ASN 27 CO 0.00 0.21 2.14 -0.81 -3.72 0.00 0.00 177.10 174.92 2i9s n PRO 28 N 3.24 2.07 0.00 0.43 -0.04 -1.26 -4.76 135.00 134.67 2i9s n PRO 28 Ca -0.18 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2i9s n PRO 28 Cb 0.53 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2i9s n THR 29 N 0.19 0.00 -0.88 0.52 -2.24 -1.26 -4.98 114.28 105.64 2i9s n THR 29 Ca 0.39 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.18 2i9s n THR 29 Cb 0.58 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2i9s n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2i9s n GLU 30 N 0.00 0.84 0.05 -0.78 2.13 -1.26 -3.09 120.64 118.52 2i9s n GLU 30 Ca 0.00 -0.94 -0.18 0.00 0.66 0.00 0.00 57.16 56.70 2i9s n GLU 30 Cb 0.00 -0.68 -0.14 0.00 0.27 0.00 0.00 31.44 30.88 2i9s n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2i9s h LYS 31 N 0.00 0.27 -0.25 5.31 3.11 -1.95 -0.08 116.57 122.97 2i9s h LYS 31 Ca 0.00 -0.45 -0.04 0.00 -2.81 0.00 0.00 60.65 57.35 2i9s h LYS 31 Cb 0.92 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.31 2i9s h LYS 31 CO 0.00 1.12 0.01 1.05 -2.81 0.00 0.00 179.45 178.82 2i9s h GLU 32 N 0.07 0.43 -0.62 1.90 9.09 -1.86 -1.64 114.58 121.95 2i9s h GLU 32 Ca -0.30 -0.13 0.11 0.00 0.05 0.00 0.00 59.36 59.08 2i9s h GLU 32 Cb 2.04 -0.04 -0.12 0.00 -1.65 0.00 0.00 28.75 28.98 2i9s h GLU 32 CO 0.15 0.59 -0.35 1.15 0.05 0.00 0.00 179.01 180.60 2i9s h THR 33 N 0.21 0.15 -0.02 -1.06 2.02 -1.85 0.20 112.91 112.56 2i9s h THR 33 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 2i9s h THR 33 Cb 0.39 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2i9s h THR 33 CO 0.01 0.00 0.01 1.05 0.37 0.00 0.00 175.52 176.96 2i9s h GLU 34 N -0.16 0.03 0.51 6.66 4.11 -0.71 0.66 114.58 125.68 2i9s h GLU 34 Ca 0.23 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 2i9s h GLU 34 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2i9s h GLU 34 CO -0.70 0.20 -0.28 1.49 0.07 0.00 0.00 179.01 179.78 2i9s h GLU 35 N -0.14 -0.72 -0.62 1.06 4.57 -1.01 -1.67 114.58 116.05 2i9s h GLU 35 Ca 0.01 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2i9s h GLU 35 Cb 0.18 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 2i9s h GLU 35 CO -0.00 -0.48 0.29 0.82 -1.18 0.00 0.00 179.01 178.47 2i9s h ILE 36 N -0.74 1.22 -0.30 2.32 2.04 -0.60 -1.50 117.51 119.94 2i9s h ILE 36 Ca -0.06 -0.61 -0.18 0.00 1.00 0.00 0.00 64.86 65.01 2i9s h ILE 36 Cb 0.59 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2i9s h ILE 36 CO 0.08 0.25 -0.52 0.71 0.00 0.00 0.00 178.15 178.67 2i9s h THR 37 N 0.84 1.28 0.21 -0.27 1.35 0.51 0.48 112.91 117.31 2i9s h THR 37 Ca 0.21 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.36 2i9s h THR 37 Cb 0.12 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2i9s h THR 37 CO -0.03 0.56 -0.10 0.77 -0.25 0.00 0.00 175.52 176.47 2i9s h SER 38 N 0.67 -0.24 -0.34 5.36 4.64 -1.24 0.21 113.55 122.61 2i9s h SER 38 Ca 0.02 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2i9s h SER 38 Cb 1.12 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2i9s h SER 38 CO 0.12 -0.03 0.12 0.25 -0.87 0.00 0.00 176.83 176.42 2i9s h LEU 39 N -0.45 0.49 0.00 5.97 5.85 -1.20 -0.17 115.31 125.80 2i9s h LEU 39 Ca -0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2i9s h LEU 39 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2i9s h LEU 39 CO 0.05 0.55 0.00 0.79 -0.34 0.00 0.00 178.44 179.49 2i9s n TRP 40 N -4.67 0.00 0.28 1.25 7.02 0.17 -1.56 117.44 119.93 2i9s n TRP 40 Ca -0.01 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.64 2i9s n TRP 40 Cb 0.16 -0.27 0.64 0.00 -2.42 0.00 0.00 31.31 29.41 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2i9s h GLN 41 N 0.00 0.00 0.13 -0.99 -0.00 -1.08 0.59 115.11 113.77 2i9s h GLN 41 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2i9s h GLN 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2i9s h GLN 41 CO 0.00 0.00 -0.06 0.78 -0.00 0.00 0.00 178.83 179.55 2i9s h GLY 42 N 2.22 -0.18 1.92 0.06 0.00 -1.06 -0.80 103.07 105.22 2i9s h GLY 42 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2i9s h GLY 42 CO 0.00 -0.07 -0.42 1.48 0.00 0.00 0.00 176.54 177.53 2i9s h SER 43 N -0.35 0.09 -0.76 0.19 4.64 -0.51 -0.15 113.55 116.70 2i9s h SER 43 Ca -0.02 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2i9s h SER 43 Cb 0.28 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2i9s h SER 43 CO 0.03 0.51 0.50 -0.07 -0.87 0.00 0.00 176.83 176.93 2i9s h LEU 44 N 0.08 0.79 0.05 5.97 3.38 -0.62 -0.10 115.31 124.86 2i9s h LEU 44 Ca 0.00 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2i9s h LEU 44 Cb 0.78 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2i9s h LEU 44 CO 0.06 0.54 -1.49 0.15 0.09 0.00 0.00 178.44 177.79 2i9s h PHE 45 N 0.91 0.18 -0.49 1.13 3.57 -0.75 -2.85 116.94 118.64 2i9s h PHE 45 Ca 0.31 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2i9s h PHE 45 Cb 0.07 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2i9s h PHE 45 CO -0.00 1.18 -0.01 -0.97 -2.23 0.00 0.00 178.31 176.28 2i9s h ASN 46 N 0.03 0.80 -0.07 0.41 -1.24 -0.25 -1.27 115.58 113.99 2i9s h ASN 46 Ca -0.21 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2i9s h ASN 46 Cb 1.96 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.79 2i9s h ASN 46 CO 0.12 0.87 0.00 0.00 -1.29 0.00 0.00 177.43 177.13 2i9s n ALA 47 N -2.48 2.57 -3.44 1.57 0.00 -0.12 -4.94 120.51 113.67 2i9s n ALA 47 Ca 0.03 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.89 2i9s n ALA 47 Cb 0.31 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.64 2i9s n ALA 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2i9s n ASN 48 N -0.04 -2.72 -1.56 0.00 5.15 -0.48 -4.91 115.26 110.69 2i9s n ASN 48 Ca 0.18 -0.67 -0.07 0.00 -0.60 0.00 0.00 54.58 53.42 2i9s n ASN 48 Cb 0.28 -4.97 0.02 0.00 -0.53 0.00 0.00 39.78 34.59 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2i9s n TYR 49 N -4.00 0.69 -2.86 1.20 4.01 -1.08 -4.92 117.16 110.20 2i9s n TYR 49 Ca -0.25 -1.25 -0.09 0.00 -0.16 0.00 0.00 57.90 56.14 2i9s n TYR 49 Cb 0.66 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2i9s n TYR 49 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2i9s n ASP 50 N 0.73 -1.72 -4.06 7.72 2.03 -1.26 -4.92 116.55 115.07 2i9s n ASP 50 Ca 0.13 -0.32 -0.10 0.00 0.52 0.00 0.00 54.79 55.02 2i9s n ASP 50 Cb 0.60 -0.56 -0.07 0.00 -0.72 0.00 0.00 41.12 40.37 2i9s n ASP 50 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2i9s s VAL 51 N -2.16 0.01 -0.12 5.18 -7.23 -1.26 -4.18 120.40 110.63 2i9s s VAL 51 Ca 0.01 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2i9s s VAL 51 Cb -0.00 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2i9s s VAL 51 CO 0.32 -0.03 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.31 2i9s s GLN 52 N -4.06 2.70 -0.02 4.82 -0.44 -0.49 -4.97 119.66 117.20 2i9s s GLN 52 Ca 0.27 -0.74 0.02 0.00 -2.50 0.00 0.00 55.36 52.41 2i9s s GLN 52 Cb 0.02 -2.18 0.00 0.00 -1.64 0.00 0.00 33.01 29.21 2i9s s GLN 52 CO 0.09 0.01 -0.08 1.03 0.50 0.00 0.00 175.29 176.84 2i9s s ARG 53 N 0.78 0.83 0.05 1.67 3.00 -1.26 0.72 118.95 124.74 2i9s s ARG 53 Ca -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 55.73 55.41 2i9s s ARG 53 Cb -0.16 -0.79 -0.03 0.00 0.00 0.00 0.00 34.95 33.97 2i9s s ARG 53 CO 0.00 0.09 -0.08 0.12 0.00 0.00 0.00 175.30 175.43 2i9s s PHE 54 N 0.23 0.76 -0.76 -0.53 5.36 -0.73 -4.93 117.98 117.38 2i9s s PHE 54 Ca -0.03 -0.56 -0.22 0.00 -0.96 0.00 0.00 56.93 55.16 2i9s s PHE 54 Cb -0.08 -0.45 0.08 0.00 -0.34 0.00 0.00 43.02 42.23 2i9s s PHE 54 CO 0.00 -0.08 1.07 0.42 -1.46 0.00 0.00 175.22 175.18 2i9s s ILE 55 N -1.71 4.33 -0.05 3.12 1.01 -1.26 -0.89 121.20 125.74 2i9s s ILE 55 Ca -0.06 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.06 2i9s s ILE 55 Cb -0.08 -4.76 -0.24 0.00 0.01 0.00 0.00 42.46 37.40 2i9s s ILE 55 CO -0.00 -1.55 0.64 -0.37 0.00 0.00 0.00 174.94 173.66 2i9s h VAL 56 N 6.01 0.85 -2.67 2.92 -1.51 -1.88 -3.50 116.25 116.48 2i9s h VAL 56 Ca -0.14 -2.66 0.10 0.00 -1.23 0.00 0.00 66.70 62.77 2i9s h VAL 56 Cb 1.05 2.47 -0.08 0.00 -2.13 0.00 0.00 31.29 32.60 2i9s h VAL 56 CO 1.19 0.60 0.35 -0.83 -1.23 0.00 0.00 177.57 177.66 2i9s s GLY 57 N -5.18 -0.25 -0.51 5.19 0.00 -0.55 -5.00 107.32 101.01 2i9s s GLY 57 Ca -0.08 0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 2i9s s GLY 57 CO 0.82 0.02 1.74 -0.56 0.00 0.00 0.00 173.10 175.12 2i9s s SER 58 N -2.86 5.64 0.00 1.64 0.01 -1.26 -1.08 113.70 115.79 2i9s s SER 58 Ca 0.10 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2i9s s SER 58 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2i9s s SER 58 CO 0.01 -2.03 0.00 -0.90 0.41 0.00 0.00 173.24 170.73 2i9s n ASP 59 N 11.32 -1.20 -3.74 2.44 5.75 -1.18 -4.84 116.55 125.10 2i9s n ASP 59 Ca 0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.85 2i9s n ASP 59 Cb 0.50 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 40.26 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2i9s s ARG 60 N -0.78 0.20 0.20 0.11 0.52 -0.24 0.33 118.95 119.30 2i9s s ARG 60 Ca 0.00 0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2i9s s ARG 60 Cb 0.00 -0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.34 2i9s s ARG 60 CO 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 175.30 175.19 2i9s s ALA 61 N 1.02 1.55 0.05 2.13 0.00 -0.62 -1.48 121.76 124.40 2i9s s ALA 61 Ca -0.07 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 2i9s s ALA 61 Cb -0.09 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2i9s s ALA 61 CO -0.06 -0.31 -0.01 0.96 0.00 0.00 0.00 175.76 176.34 2i9s s ILE 62 N -3.59 0.20 -0.23 0.00 -4.36 -0.07 -1.38 121.20 111.78 2i9s s ILE 62 Ca 0.27 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.99 2i9s s ILE 62 Cb 0.06 -1.36 0.07 0.00 1.25 0.00 0.00 42.46 42.49 2i9s s ILE 62 CO 0.07 -0.91 0.05 0.72 0.24 0.00 0.00 174.94 175.11 2i9s s PHE 63 N -3.62 1.22 -0.40 1.37 -0.71 -0.63 -1.77 117.98 113.44 2i9s s PHE 63 Ca 0.04 -1.13 -0.26 0.00 -1.04 0.00 0.00 56.93 54.54 2i9s s PHE 63 Cb 0.06 -1.22 0.02 0.00 -1.21 0.00 0.00 43.02 40.66 2i9s s PHE 63 CO -0.09 -0.70 0.95 1.41 -1.34 0.00 0.00 175.22 175.45 2i9s s MET 64 N 1.79 3.75 0.05 1.99 1.75 0.22 -1.51 119.30 127.34 2i9s s MET 64 Ca 0.02 0.47 0.04 0.00 -1.25 0.00 0.00 55.69 54.98 2i9s s MET 64 Cb -0.17 -3.85 -0.04 0.00 2.84 0.00 0.00 34.83 33.61 2i9s s MET 64 CO -0.14 -1.07 -0.02 -0.48 -0.65 0.00 0.00 175.02 172.66 2i9s s LEU 65 N 3.66 3.39 -0.24 4.11 2.34 0.33 -1.39 118.68 130.89 2i9s s LEU 65 Ca 0.39 -0.15 -0.15 0.00 0.06 0.00 0.00 54.13 54.29 2i9s s LEU 65 Cb -0.11 -2.06 -0.10 0.00 -0.56 0.00 0.00 46.19 43.37 2i9s s LEU 65 CO 0.22 0.22 -0.34 -1.14 -1.06 0.00 0.00 176.35 174.25 2i9s n ARG 66 N 0.94 0.55 -0.18 1.48 0.63 -1.26 -1.35 116.66 117.47 2i9s n ARG 66 Ca -0.13 0.23 0.26 0.00 -0.92 0.00 0.00 57.85 57.30 2i9s n ARG 66 Cb 0.52 -1.43 0.40 0.00 0.45 0.00 0.00 32.46 32.40 2i9s n ARG 66 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2i9s n ASP 67 N -4.27 0.00 0.00 6.15 2.03 -1.26 -4.21 116.55 114.99 2i9s n ASP 67 Ca -0.40 0.74 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2i9s n ASP 67 Cb 0.76 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2i9s n GLY 68 N -1.70 1.19 0.13 0.27 0.00 -1.14 -3.94 105.19 99.99 2i9s n GLY 68 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2i9s n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i9s n SER 69 N 0.90 1.94 -0.01 1.61 3.41 -1.25 -4.61 113.62 115.61 2i9s n SER 69 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2i9s n SER 69 Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9s n TYR 70 N -4.22 0.00 0.12 7.33 0.18 -1.26 -3.46 117.16 115.85 2i9s n TYR 70 Ca -0.48 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.36 2i9s n TYR 70 Cb 0.84 -0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.82 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9s h ALA 71 N 1.54 0.70 -0.47 -3.48 0.00 -1.99 -3.16 119.26 112.41 2i9s h ALA 71 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2i9s h ALA 71 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2i9s h ALA 71 CO 0.00 0.44 -0.14 -1.49 0.00 0.00 0.00 179.25 178.07 2i9s h TRP 72 N 0.00 1.03 -0.29 0.00 6.55 -1.91 0.21 115.95 121.54 2i9s h TRP 72 Ca -0.04 -0.23 -0.06 0.00 0.95 0.00 0.00 58.89 59.51 2i9s h TRP 72 Cb 1.28 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 29.32 2i9s h TRP 72 CO 0.00 1.01 -0.06 1.49 -1.05 0.00 0.00 178.44 179.84 2i9s h GLU 73 N 0.76 0.54 -0.45 0.49 4.81 -1.85 -2.14 114.58 116.74 2i9s h GLU 73 Ca 0.11 -0.20 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2i9s h GLU 73 Cb 0.69 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.96 2i9s h GLU 73 CO 0.05 0.74 -0.09 0.82 -0.73 0.00 0.00 179.01 179.80 2i9s h ILE 74 N 0.31 0.57 -0.78 2.32 2.04 -1.42 -1.18 117.51 119.37 2i9s h ILE 74 Ca 0.07 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 2i9s h ILE 74 Cb 0.53 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2i9s h ILE 74 CO 0.03 0.00 0.28 0.07 0.00 0.00 0.00 178.15 178.53 2i9s h LYS 75 N 0.02 1.19 -0.47 2.37 2.10 -0.37 0.23 116.57 121.63 2i9s h LYS 75 Ca 0.22 -0.23 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2i9s h LYS 75 Cb 0.33 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 2i9s h LYS 75 CO -0.45 0.98 0.31 0.22 -2.00 0.00 0.00 179.45 178.52 2i9s h ASP 76 N 1.15 0.50 0.02 7.07 3.58 -0.76 -1.67 116.42 126.31 2i9s h ASP 76 Ca 0.26 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2i9s h ASP 76 Cb 0.26 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2i9s h ASP 76 CO -0.02 0.36 -0.01 -0.26 -2.88 0.00 0.00 179.24 176.43 2i9s h PHE 77 N 0.59 -0.03 -0.35 0.28 0.04 0.65 -1.90 116.94 116.23 2i9s h PHE 77 Ca 0.18 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 2i9s h PHE 77 Cb -0.01 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2i9s h PHE 77 CO -0.00 -0.02 -0.02 1.37 -0.60 0.00 0.00 178.31 179.05 2i9s h LEU 78 N -0.05 0.52 0.00 1.54 -0.00 -1.46 0.64 115.31 116.50 2i9s h LEU 78 Ca -0.00 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.88 57.65 2i9s h LEU 78 Cb 0.02 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 2i9s h LEU 78 CO 0.00 0.60 -0.81 0.58 -0.00 0.00 0.00 178.44 178.81 2i9s h VAL 79 N 0.52 0.71 -0.48 0.15 2.07 -1.40 -0.65 116.25 117.18 2i9s h VAL 79 Ca 0.11 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2i9s h VAL 79 Cb 0.37 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2i9s h VAL 79 CO 0.01 0.40 0.00 -1.20 0.02 0.00 0.00 177.57 176.81 2i9s n SER 80 N -3.10 3.06 -0.10 0.57 7.64 -0.68 -3.63 113.62 117.38 2i9s n SER 80 Ca -0.02 -1.96 -0.18 0.00 1.01 0.00 0.00 58.87 57.72 2i9s n SER 80 Cb 0.76 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.56 2i9s n SER 80 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2i9s n GLN 81 N 1.19 0.54 0.00 1.43 -0.06 0.22 -4.95 117.38 115.74 2i9s n GLN 81 Ca 0.19 0.53 0.00 0.00 -2.00 0.00 0.00 57.00 55.72 2i9s n GLN 81 Cb 0.51 -1.70 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 2i9s n GLN 81 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2i9s n ASP 82 N -4.46 0.00 -4.60 1.69 -0.08 -0.71 -5.06 116.55 103.33 2i9s n ASP 82 Ca -0.28 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.72 2i9s n ASP 82 Cb 0.60 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.97 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2i9s s ARG 83 N 0.51 2.17 0.08 -0.67 1.81 -1.26 -5.02 118.95 116.57 2i9s s ARG 83 Ca 0.00 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 2i9s s ARG 83 Cb 0.00 -2.26 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2i9s s ARG 83 CO 0.00 0.47 -0.04 0.00 -0.68 0.00 0.00 175.30 175.05 2i9s n ALA 85 N 0.01 0.00 -3.65 0.00 0.00 -1.03 -1.76 120.51 114.08 2i9s n ALA 85 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 2i9s n ALA 85 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 2i9s n ALA 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2i9s s GLU 86 N -2.00 0.56 -0.25 0.00 2.12 -0.22 -4.98 118.70 113.92 2i9s s GLU 86 Ca 0.00 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.29 2i9s s GLU 86 Cb 0.00 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.50 2i9s s GLU 86 CO 0.00 -0.15 -0.06 0.14 -0.54 0.00 0.00 175.26 174.66 2i9s s VAL 87 N 1.40 2.90 -0.19 3.70 -7.23 -1.26 0.43 120.40 120.15 2i9s s VAL 87 Ca -0.09 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2i9s s VAL 87 Cb -0.06 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2i9s s VAL 87 CO -0.15 0.20 -0.07 0.42 -0.31 0.00 0.00 175.10 175.20 2i9s s THR 88 N 1.33 3.33 0.21 5.32 -4.23 0.51 -5.00 115.64 117.10 2i9s s THR 88 Ca 0.00 -0.53 0.09 0.00 -1.18 0.00 0.00 61.69 60.07 2i9s s THR 88 Cb -0.17 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2i9s s THR 88 CO -0.04 0.46 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.70 2i9s s LEU 89 N 1.03 3.12 0.75 4.79 1.02 -1.26 -1.30 118.68 126.83 2i9s s LEU 89 Ca 0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 2i9s s LEU 89 Cb -0.15 -1.74 0.05 0.00 0.02 0.00 0.00 46.19 44.38 2i9s s LEU 89 CO -0.00 0.06 1.12 -0.70 0.02 0.00 0.00 176.35 176.84 2i9s s GLU 90 N -3.16 2.34 0.00 1.70 2.56 -1.22 -4.82 118.70 116.11 2i9s s GLU 90 Ca 0.28 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.42 2i9s s GLU 90 Cb -0.08 -2.02 0.00 0.00 2.00 0.00 0.00 34.13 34.03 2i9s s GLU 90 CO 0.18 -1.32 0.00 0.41 -0.56 0.00 0.00 175.26 173.97 2i9s n GLY 91 N -3.12 2.56 3.54 -1.50 0.00 -1.26 -4.80 105.19 100.61 2i9s n GLY 91 Ca 0.07 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 2i9s n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2i9s s GLN 92 N -1.93 3.42 -0.51 1.61 -2.07 -1.26 -4.11 119.66 114.81 2i9s s GLN 92 Ca 0.00 -0.07 -0.18 0.00 -1.82 0.00 0.00 55.36 53.29 2i9s s GLN 92 Cb 0.00 -3.96 0.02 0.00 -1.09 0.00 0.00 33.01 27.99 2i9s s GLN 92 CO 0.00 -1.22 0.63 -0.12 -1.32 0.00 0.00 175.29 173.27 2i9s n MET 93 N 6.97 -2.06 -2.79 9.60 0.00 -1.26 -4.92 117.12 122.67 2i9s n MET 93 Ca 0.03 1.78 -0.43 0.00 0.00 0.00 0.00 57.70 59.08 2i9s n MET 93 Cb 0.48 -4.64 -0.04 0.00 0.00 0.00 0.00 33.22 29.02 2i9s n MET 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 2i9s s TYR 94 N -2.44 3.07 -0.22 1.12 5.04 -1.26 -4.90 117.35 117.77 2i9s s TYR 94 Ca 0.22 0.79 0.21 0.00 -2.44 0.00 0.00 57.07 55.86 2i9s s TYR 94 Cb -0.05 -3.68 -0.02 0.00 0.35 0.00 0.00 41.96 38.56 2i9s s TYR 94 CO 0.80 -0.84 1.01 -1.00 -1.34 0.00 0.00 175.55 174.18 2i9s h PRO 95 N 8.49 0.00 0.00 4.97 0.14 -1.94 -3.50 132.00 140.16 2i9s h PRO 95 Ca -0.23 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.91 2i9s h PRO 95 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.22 2i9s h PRO 95 CO 0.99 0.06 0.00 0.41 0.14 0.00 0.00 178.00 179.60 2i9s n GLY 96 N 1.22 0.41 0.00 1.56 0.00 -1.26 -5.16 105.19 101.96 2i9s n GLY 96 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2i9s n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90