#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 1.05 0.00 1.61 0.11 -2.03 -3.46 132.00 129.27 2i9s h PRO 2 Ca 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2i9s h PRO 2 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2i9s h PRO 2 CO 0.00 0.90 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 2i9s n GLY 3 N -0.77 0.96 3.76 -0.55 0.00 -1.26 -4.93 105.19 102.39 2i9s n GLY 3 Ca 0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2i9s n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9s s LYS 4 N 0.00 4.19 -0.22 1.61 -2.85 -1.24 0.07 119.74 121.30 2i9s s LYS 4 Ca 0.00 2.45 -0.29 0.00 -1.00 0.00 0.00 55.97 57.13 2i9s s LYS 4 Cb 0.00 -3.04 -0.03 0.00 -2.06 0.00 0.00 37.83 32.70 2i9s s LYS 4 CO 0.00 -0.49 1.64 -2.14 0.10 0.00 0.00 175.35 174.46 2i9s s PRO 5 N -1.03 3.76 -0.92 1.78 0.02 -1.25 -4.87 135.00 132.50 2i9s s PRO 5 Ca 0.58 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 63.26 2i9s s PRO 5 Cb -0.45 -4.05 0.30 0.00 0.02 0.00 0.00 34.50 30.32 2i9s s PRO 5 CO 0.51 -1.33 1.32 0.39 -0.33 0.00 0.00 177.00 177.56 2i9s n GLU 6 N 7.72 4.08 -3.13 5.54 1.02 -1.26 -4.76 120.64 129.85 2i9s n GLU 6 Ca 0.19 -4.64 -0.14 0.00 -0.02 0.00 0.00 57.16 52.55 2i9s n GLU 6 Cb 0.45 -2.42 0.06 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.81 -3.22 -3.80 1.62 7.64 -1.26 -1.61 113.62 113.80 2i9s n SER 7 Ca 0.31 -0.43 -0.27 0.00 1.01 0.00 0.00 58.87 59.49 2i9s n SER 7 Cb 0.34 -3.82 0.01 0.00 -1.01 0.00 0.00 64.21 59.73 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 -3.66 -4.46 -3.80 0.44 0.13 -1.26 -0.69 119.36 106.06 2i9s n ILE 8 Ca -0.13 -0.69 -0.36 0.00 -1.10 0.00 0.00 62.75 60.47 2i9s n ILE 8 Cb 0.59 -3.55 0.04 0.00 -0.84 0.00 0.00 39.64 35.88 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 -4.29 -2.06 -3.38 9.51 -0.00 -0.84 -0.15 117.00 115.80 2i9s n LEU 9 Ca -0.22 -1.10 -0.12 0.00 -0.00 0.00 0.00 56.01 54.57 2i9s n LEU 9 Cb 0.65 -2.15 0.01 0.00 -0.00 0.00 0.00 43.42 41.92 2i9s n LEU 9 CO 0.71 0.57 0.10 2.29 -0.00 0.00 0.00 177.39 181.05 2i9s n LYS 10 N -4.42 -1.42 0.00 1.47 2.85 -0.63 -0.95 118.16 115.05 2i9s n LYS 10 Ca -0.10 1.11 0.00 0.00 -1.05 0.00 0.00 58.31 58.27 2i9s n LYS 10 Cb 0.58 -4.48 0.00 0.00 -0.65 0.00 0.00 35.03 30.48 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 -2.42 0.00 0.00 -1.58 0.00 0.14 -2.69 117.12 110.57 2i9s n MET 11 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.58 2i9s n MET 11 Cb 0.58 -0.58 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2i9s n MET 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2i9s n THR 12 N -1.15 0.00 -3.26 1.12 5.66 0.79 -4.92 114.28 112.52 2i9s n THR 12 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 2i9s n THR 12 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2i9s n THR 12 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2i9s s LYS 13 N 0.00 0.45 0.00 1.09 2.36 -0.13 -3.31 119.74 120.21 2i9s s LYS 13 Ca 0.00 0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.68 2i9s s LYS 13 Cb 0.00 -0.15 0.00 0.00 -1.05 0.00 0.00 37.83 36.63 2i9s s LYS 13 CO 0.00 -1.03 0.00 1.17 1.55 0.00 0.00 175.35 177.04 2i9s n LYS 14 N 5.37 0.00 -2.68 4.03 0.00 -0.34 -4.66 118.16 119.88 2i9s n LYS 14 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.28 2i9s n LYS 14 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.60 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i9s n GLY 15 N 0.00 -1.41 3.23 3.14 0.00 -1.23 -4.64 105.19 104.28 2i9s n GLY 15 Ca 0.00 0.87 -0.18 0.00 0.00 0.00 0.00 46.02 46.71 2i9s n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i9s s LYS 16 N 0.32 0.99 -0.13 1.61 3.01 -1.26 -4.83 119.74 119.46 2i9s s LYS 16 Ca 0.27 -1.20 -0.26 0.00 -1.01 0.00 0.00 55.97 53.77 2i9s s LYS 16 Cb 0.20 -0.89 -0.02 0.00 -1.01 0.00 0.00 37.83 36.10 2i9s s LYS 16 CO -0.11 0.17 0.84 0.99 0.51 0.00 0.00 175.35 177.75 2i9s s THR 17 N -2.01 4.90 -0.17 2.17 2.01 -1.26 -1.79 115.64 119.49 2i9s s THR 17 Ca 0.07 1.68 -0.02 0.00 0.31 0.00 0.00 61.69 63.73 2i9s s THR 17 Cb -0.06 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.35 2i9s s THR 17 CO 0.03 0.07 0.01 -0.22 -0.69 0.00 0.00 174.62 173.82 2i9s s LEU 18 N 1.81 1.23 -0.09 4.42 1.98 -0.61 -4.85 118.68 122.57 2i9s s LEU 18 Ca 0.40 -0.68 -0.26 0.00 -2.89 0.00 0.00 54.13 50.70 2i9s s LEU 18 Cb -0.17 -0.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.99 2i9s s LEU 18 CO 0.15 -0.26 0.82 0.00 -1.89 0.00 0.00 176.35 175.17 2i9s s MET 19 N 1.81 4.42 -0.43 1.98 0.23 -1.26 0.56 119.30 126.60 2i9s s MET 19 Ca 0.00 1.07 -0.14 0.00 -1.03 0.00 0.00 55.69 55.59 2i9s s MET 19 Cb -0.16 -3.50 0.04 0.00 -1.53 0.00 0.00 34.83 29.69 2i9s s MET 19 CO -0.07 -0.11 0.32 1.41 -2.03 0.00 0.00 175.02 174.53 2i9s s MET 20 N 1.36 2.93 -0.36 3.16 1.75 -0.40 -3.04 119.30 124.71 2i9s s MET 20 Ca 0.42 -1.18 -0.18 0.00 -1.25 0.00 0.00 55.69 53.50 2i9s s MET 20 Cb -0.18 -3.99 -0.00 0.00 2.84 0.00 0.00 34.83 33.50 2i9s s MET 20 CO 0.18 -0.86 0.50 0.12 -0.65 0.00 0.00 175.02 174.32 2i9s s PHE 21 N 1.63 3.18 -0.10 4.11 2.19 -0.41 -1.58 117.98 127.00 2i9s s PHE 21 Ca 0.04 0.11 0.01 0.00 0.33 0.00 0.00 56.93 57.43 2i9s s PHE 21 Cb -0.21 -2.92 0.02 0.00 -1.31 0.00 0.00 43.02 38.59 2i9s s PHE 21 CO 0.08 -0.56 -0.13 0.54 1.83 0.00 0.00 175.22 176.98 2i9s s VAL 22 N 2.36 1.29 0.19 3.12 0.11 -0.50 -1.04 120.40 125.94 2i9s s VAL 22 Ca 0.18 -0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 58.48 2i9s s VAL 22 Cb -0.16 -1.21 -0.08 0.00 -1.53 0.00 0.00 36.38 33.41 2i9s s VAL 22 CO 0.13 0.40 0.76 -0.89 -3.33 0.00 0.00 175.10 172.17 2i9s s THR 23 N 1.04 4.45 -0.08 5.04 2.01 0.37 -0.71 115.64 127.76 2i9s s THR 23 Ca -0.07 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.48 2i9s s THR 23 Cb -0.15 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.37 2i9s s THR 23 CO -0.01 0.37 -0.16 0.54 -0.69 0.00 0.00 174.62 174.67 2i9s s VAL 24 N -1.33 1.44 0.00 3.82 0.11 0.19 -1.25 120.40 123.38 2i9s s VAL 24 Ca 0.39 -0.65 0.24 0.00 -2.93 0.00 0.00 61.98 59.03 2i9s s VAL 24 Cb -0.20 -1.29 0.39 0.00 -1.53 0.00 0.00 36.38 33.75 2i9s s VAL 24 CO 0.24 0.42 1.15 -0.24 -3.33 0.00 0.00 175.10 173.34 2i9s n SER 25 N 3.78 0.87 0.08 3.54 2.88 -1.03 -4.34 113.62 119.40 2i9s n SER 25 Ca -0.21 -2.00 -0.15 0.00 -1.33 0.00 0.00 58.87 55.18 2i9s n SER 25 Cb 0.52 -0.27 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 2i9s n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2i9s h GLY 26 N 0.91 0.26 -6.20 0.46 0.00 -1.97 -3.43 103.07 93.10 2i9s h GLY 26 Ca -0.23 -0.67 -0.67 0.00 0.00 0.00 0.00 47.33 45.77 2i9s h GLY 26 CO 0.08 0.58 -0.81 0.21 0.00 0.00 0.00 176.54 176.60 2i9s s ASN 27 N -7.02 3.57 -0.11 0.19 3.84 -1.26 -5.02 114.94 109.13 2i9s s ASN 27 Ca -0.05 -0.53 0.02 0.00 0.21 0.00 0.00 52.86 52.51 2i9s s ASN 27 Cb 0.07 -1.57 0.19 0.00 -0.55 0.00 0.00 41.25 39.40 2i9s s ASN 27 CO 0.87 0.02 1.14 -0.81 -2.79 0.00 0.00 177.10 175.53 2i9s n PRO 28 N 4.50 1.54 -0.13 0.43 -0.04 -1.26 -4.60 135.00 135.43 2i9s n PRO 28 Ca -0.20 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 2i9s n PRO 28 Cb 0.51 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.08 0.00 1.43 0.52 -2.24 -1.26 -4.89 114.28 107.93 2i9s n THR 29 Ca 0.14 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 2i9s n THR 29 Cb 0.74 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.64 0.01 -0.78 2.13 -1.26 -3.60 120.64 118.78 2i9s n GLU 30 Ca 0.00 -0.94 -0.13 0.00 0.66 0.00 0.00 57.16 56.75 2i9s n GLU 30 Cb 0.00 -1.44 -0.09 0.00 0.27 0.00 0.00 31.44 30.17 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 2.12 -0.04 -0.25 5.31 3.11 -1.96 0.42 116.57 125.29 2i9s h LYS 31 Ca 0.00 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.71 2i9s h LYS 31 Cb 0.46 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2i9s h LYS 31 CO 0.00 0.36 -0.38 1.49 -2.81 0.00 0.00 179.45 178.11 2i9s h GLU 32 N -0.44 0.69 -0.86 1.90 4.57 -1.84 -1.46 114.58 117.15 2i9s h GLU 32 Ca -0.00 -0.42 0.16 0.00 -1.18 0.00 0.00 59.36 57.92 2i9s h GLU 32 Cb 0.41 0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 28.89 2i9s h GLU 32 CO 0.01 1.03 -0.28 1.15 -1.18 0.00 0.00 179.01 179.75 2i9s h THR 33 N 0.41 0.10 -0.04 0.32 2.02 -1.68 0.14 112.91 114.19 2i9s h THR 33 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2i9s h THR 33 Cb 0.97 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2i9s h THR 33 CO 0.09 0.00 -0.10 1.05 0.37 0.00 0.00 175.52 176.93 2i9s h GLU 34 N -0.03 0.14 -0.31 6.66 4.11 0.17 0.33 114.58 125.65 2i9s h GLU 34 Ca 0.37 -0.10 0.06 0.00 0.07 0.00 0.00 59.36 59.76 2i9s h GLU 34 Cb 0.62 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 2i9s h GLU 34 CO -0.88 0.70 -0.46 1.49 0.07 0.00 0.00 179.01 179.92 2i9s h GLU 35 N -0.39 -0.39 -0.26 1.06 4.57 -0.86 -1.54 114.58 116.76 2i9s h GLU 35 Ca -0.00 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 2i9s h GLU 35 Cb 0.70 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2i9s h GLU 35 CO 0.02 -0.26 -0.19 0.82 -1.18 0.00 0.00 179.01 178.22 2i9s h ILE 36 N -0.41 1.31 -0.42 2.32 2.04 -0.79 -1.51 117.51 120.05 2i9s h ILE 36 Ca 0.10 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 2i9s h ILE 36 Cb 0.61 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2i9s h ILE 36 CO -0.52 0.42 -0.11 0.71 0.00 0.00 0.00 178.15 178.64 2i9s h THR 37 N 0.31 1.27 0.40 -0.27 1.35 0.08 0.61 112.91 116.67 2i9s h THR 37 Ca 0.05 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.67 2i9s h THR 37 Cb 0.73 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2i9s h THR 37 CO 0.05 0.41 -0.19 0.77 -0.25 0.00 0.00 175.52 176.31 2i9s h SER 38 N 0.64 -0.46 -0.37 5.36 4.64 -1.35 -0.60 113.55 121.42 2i9s h SER 38 Ca 0.11 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2i9s h SER 38 Cb 0.65 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2i9s h SER 38 CO 0.04 -0.11 0.23 0.25 -0.87 0.00 0.00 176.83 176.37 2i9s h LEU 39 N -0.84 0.44 0.00 5.97 5.85 -1.19 0.00 115.31 125.55 2i9s h LEU 39 Ca -0.06 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2i9s h LEU 39 Cb 0.54 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2i9s h LEU 39 CO 0.09 0.36 -0.00 -0.50 -0.34 0.00 0.00 178.44 178.05 2i9s h TRP 40 N 0.48 -0.00 0.00 1.25 4.06 0.21 -1.40 115.95 120.55 2i9s h TRP 40 Ca 0.13 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 2i9s h TRP 40 Cb -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.15 2i9s h TRP 40 CO -0.04 -0.00 -0.09 -0.56 -3.56 0.00 0.00 178.44 174.19 2i9s h GLN 41 N -0.00 0.00 0.13 0.49 -0.00 -1.21 0.24 115.11 114.76 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 0.09 -0.06 0.78 -0.00 0.00 0.00 178.83 179.64 2i9s h GLY 42 N 1.77 -0.18 1.76 0.06 0.00 -1.04 -0.92 103.07 104.54 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 0.01 -0.06 -0.36 1.48 0.00 0.00 0.00 176.54 177.61 2i9s h SER 43 N -0.33 0.28 -0.29 0.19 4.64 -0.05 0.10 113.55 118.09 2i9s h SER 43 Ca -0.02 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2i9s h SER 43 Cb 0.26 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2i9s h SER 43 CO 0.03 0.62 0.17 -0.07 -0.87 0.00 0.00 176.83 176.71 2i9s h LEU 44 N 0.23 0.36 0.00 5.97 3.38 -0.34 0.00 115.31 124.92 2i9s h LEU 44 Ca 0.03 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 2i9s h LEU 44 Cb 0.74 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2i9s h LEU 44 CO 0.06 0.29 -1.77 0.33 0.09 0.00 0.00 178.44 177.43 2i9s n PHE 45 N -4.46 0.91 0.08 1.13 7.35 -0.37 -1.89 117.46 120.21 2i9s n PHE 45 Ca 0.02 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2i9s n PHE 45 Cb 0.09 -1.17 0.30 0.00 0.35 0.00 0.00 39.48 39.05 2i9s n PHE 45 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2i9s h ASN 46 N 0.00 0.30 -0.13 -2.13 -1.24 -0.13 -0.59 115.58 111.67 2i9s h ASN 46 Ca -0.31 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2i9s h ASN 46 Cb 2.04 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 41.01 2i9s h ASN 46 CO 0.07 0.53 0.00 0.00 -1.29 0.00 0.00 177.43 176.74 2i9s n ALA 47 N -2.48 2.49 -3.69 1.57 0.00 -0.08 -4.99 120.51 113.33 2i9s n ALA 47 Ca -0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 2i9s n ALA 47 Cb 0.35 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 0.91 -5.34 -0.13 0.00 5.15 -0.23 -4.90 115.26 110.73 2i9s n ASN 48 Ca 0.17 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 2i9s n ASN 48 Cb 0.49 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.46 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 -4.14 0.00 -3.49 1.20 4.01 -0.80 -4.92 117.16 109.03 2i9s n TYR 49 Ca -0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 2i9s n TYR 49 Cb 0.59 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.33 -6.07 -3.68 7.72 2.03 -1.26 -4.94 116.55 110.01 2i9s n ASP 50 Ca 0.00 -0.65 -0.13 0.00 0.52 0.00 0.00 54.79 54.53 2i9s n ASP 50 Cb 0.05 -3.48 -0.06 0.00 -0.72 0.00 0.00 41.12 36.91 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 -3.12 0.00 -0.12 5.18 -7.23 -1.26 -3.99 120.40 109.85 2i9s s VAL 51 Ca 0.13 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2i9s s VAL 51 Cb -0.05 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2i9s s VAL 51 CO 0.83 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 174.00 2i9s s GLN 52 N -3.60 1.23 -0.00 4.82 0.74 -0.48 -4.96 119.66 117.42 2i9s s GLN 52 Ca 0.31 -0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.51 2i9s s GLN 52 Cb 0.01 -1.60 -0.01 0.00 1.10 0.00 0.00 33.01 32.50 2i9s s GLN 52 CO 0.16 -0.35 -0.16 1.03 -0.55 0.00 0.00 175.29 175.42 2i9s s ARG 53 N 1.76 1.21 0.07 1.67 3.00 -1.26 0.91 118.95 126.30 2i9s s ARG 53 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 55.73 55.19 2i9s s ARG 53 Cb -0.14 -1.19 -0.03 0.00 0.00 0.00 0.00 34.95 33.59 2i9s s ARG 53 CO -0.07 0.32 -0.10 -0.06 0.00 0.00 0.00 175.30 175.39 2i9s s PHE 54 N -0.46 0.94 -0.71 -0.53 0.40 -0.74 -4.93 117.98 111.95 2i9s s PHE 54 Ca 0.05 -0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 55.64 2i9s s PHE 54 Cb -0.06 -0.53 0.12 0.00 0.51 0.00 0.00 43.02 43.05 2i9s s PHE 54 CO -0.00 -0.03 0.85 0.42 0.70 0.00 0.00 175.22 177.16 2i9s s ILE 55 N -1.75 4.80 -0.07 0.64 1.01 -1.26 -0.85 121.20 123.72 2i9s s ILE 55 Ca -0.02 -1.19 0.11 0.00 0.00 0.00 0.00 60.65 59.55 2i9s s ILE 55 Cb -0.07 -4.59 -0.23 0.00 0.01 0.00 0.00 42.46 37.58 2i9s s ILE 55 CO 0.01 -1.26 0.57 1.33 0.00 0.00 0.00 174.94 175.59 2i9s n VAL 56 N 5.42 1.61 -3.74 2.92 0.24 -1.20 -5.04 118.33 118.55 2i9s n VAL 56 Ca 0.02 -0.78 0.04 0.00 -2.04 0.00 0.00 64.34 61.57 2i9s n VAL 56 Cb 0.45 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 2i9s n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2i9s s GLY 57 N -5.21 -0.38 -0.08 7.63 0.00 -0.64 -4.98 107.32 103.66 2i9s s GLY 57 Ca -0.07 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 2i9s s GLY 57 CO 0.82 2.69 1.69 -0.56 0.00 0.00 0.00 173.10 177.73 2i9s s SER 58 N -3.36 6.57 0.00 1.64 0.01 -1.26 -0.78 113.70 116.53 2i9s s SER 58 Ca 0.21 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2i9s s SER 58 Cb 0.05 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2i9s s SER 58 CO -0.05 -1.01 0.00 -0.67 0.41 0.00 0.00 173.24 171.92 2i9s n ASP 59 N 7.49 -2.01 -3.78 2.44 -0.08 -1.24 -4.85 116.55 114.53 2i9s n ASP 59 Ca 0.18 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.32 2i9s n ASP 59 Cb 0.43 -0.33 -0.16 0.00 2.34 0.00 0.00 41.12 43.40 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2i9s s ARG 60 N -0.26 -0.03 0.14 -0.67 3.00 0.04 -0.64 118.95 120.53 2i9s s ARG 60 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 55.73 55.89 2i9s s ARG 60 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 34.95 34.71 2i9s s ARG 60 CO 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 175.30 175.22 2i9s s ALA 61 N 0.91 0.89 0.05 2.13 0.00 0.11 -1.62 121.76 124.24 2i9s s ALA 61 Ca -0.08 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.34 2i9s s ALA 61 Cb -0.11 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2i9s s ALA 61 CO -0.03 -0.50 0.08 0.96 0.00 0.00 0.00 175.76 176.28 2i9s s ILE 62 N -4.06 0.16 -0.25 0.00 -4.36 -0.03 -1.42 121.20 111.24 2i9s s ILE 62 Ca 0.26 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 2i9s s ILE 62 Cb 0.07 -1.14 0.08 0.00 1.25 0.00 0.00 42.46 42.72 2i9s s ILE 62 CO 0.03 -0.71 0.08 0.72 0.24 0.00 0.00 174.94 175.30 2i9s s PHE 63 N -3.20 0.97 -0.32 1.37 -0.71 -0.62 -1.80 117.98 113.68 2i9s s PHE 63 Ca 0.00 -1.06 -0.23 0.00 -1.04 0.00 0.00 56.93 54.60 2i9s s PHE 63 Cb 0.02 -1.16 0.00 0.00 -1.21 0.00 0.00 43.02 40.68 2i9s s PHE 63 CO -0.07 -0.73 0.77 1.41 -1.34 0.00 0.00 175.22 175.26 2i9s s MET 64 N 1.87 3.92 0.29 1.99 1.75 0.26 -1.27 119.30 128.11 2i9s s MET 64 Ca 0.05 0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 54.77 2i9s s MET 64 Cb -0.17 -3.74 -0.09 0.00 2.84 0.00 0.00 34.83 33.67 2i9s s MET 64 CO -0.20 -0.70 0.84 -0.51 -0.65 0.00 0.00 175.02 173.80 2i9s s LEU 65 N 2.94 4.27 -0.03 4.11 1.02 0.19 -1.38 118.68 129.80 2i9s s LEU 65 Ca 0.31 1.60 -0.07 0.00 0.02 0.00 0.00 54.13 55.99 2i9s s LEU 65 Cb -0.14 -3.90 -0.02 0.00 0.02 0.00 0.00 46.19 42.14 2i9s s LEU 65 CO 0.13 -0.07 -0.14 -1.14 0.02 0.00 0.00 176.35 175.15 2i9s n ARG 66 N 0.41 0.21 0.03 1.70 0.63 -1.26 -1.57 116.66 116.82 2i9s n ARG 66 Ca 0.01 0.09 0.02 0.00 -0.92 0.00 0.00 57.85 57.04 2i9s n ARG 66 Cb 0.51 -0.83 0.10 0.00 0.45 0.00 0.00 32.46 32.69 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 -3.71 0.09 -2.12 6.15 2.03 -1.26 -4.06 116.55 113.68 2i9s n ASP 67 Ca -0.06 0.48 -0.17 0.00 0.52 0.00 0.00 54.79 55.56 2i9s n ASP 67 Cb 0.21 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.40 0.21 2.67 0.27 0.00 -0.74 -3.77 105.19 102.43 2i9s n GLY 68 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2i9s n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9s n SER 69 N -1.62 1.06 -2.87 1.61 7.64 -1.26 -1.20 113.62 116.98 2i9s n SER 69 Ca -0.20 -2.05 0.03 0.00 1.01 0.00 0.00 58.87 57.67 2i9s n SER 69 Cb 0.63 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.55 2i9s n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n TYR 70 N -0.62 -0.04 0.00 1.43 4.11 -1.21 -4.75 117.16 116.08 2i9s n TYR 70 Ca 0.03 -0.33 0.00 0.00 -0.00 0.00 0.00 57.90 57.60 2i9s n TYR 70 Cb 0.84 0.14 0.00 0.00 -0.00 0.00 0.00 39.34 40.32 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i9s n ALA 71 N -1.76 0.00 0.14 -3.48 0.00 -1.26 -4.86 120.51 109.29 2i9s n ALA 71 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 2i9s n ALA 71 Cb 0.36 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.01 2i9s n ALA 71 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2i9s h TRP 72 N 0.00 0.02 -0.61 0.00 6.55 -1.96 -0.56 115.95 119.39 2i9s h TRP 72 Ca 0.00 -0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 2i9s h TRP 72 Cb 0.00 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.27 2i9s h TRP 72 CO 0.00 0.58 0.00 1.49 -1.05 0.00 0.00 178.44 179.46 2i9s h GLU 73 N 0.01 1.08 -0.57 0.49 4.81 -2.00 -1.79 114.58 116.61 2i9s h GLU 73 Ca -0.01 -0.34 0.08 0.00 -0.13 0.00 0.00 59.36 58.96 2i9s h GLU 73 Cb 1.00 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 2i9s h GLU 73 CO 0.07 1.05 0.23 0.82 -0.73 0.00 0.00 179.01 180.45 2i9s h ILE 74 N 0.98 0.83 -0.74 2.32 2.04 -1.67 -1.45 117.51 119.82 2i9s h ILE 74 Ca 0.17 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2i9s h ILE 74 Cb 0.56 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2i9s h ILE 74 CO 0.03 0.08 0.47 0.50 0.00 0.00 0.00 178.15 179.23 2i9s h LYS 75 N 0.43 0.89 -0.70 2.37 3.11 -0.61 -0.91 116.57 121.14 2i9s h LYS 75 Ca 0.27 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2i9s h LYS 75 Cb 0.29 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 2i9s h LYS 75 CO -0.26 0.59 0.45 0.22 -2.81 0.00 0.00 179.45 177.64 2i9s h ASP 76 N 0.92 0.81 -0.57 4.20 3.58 -0.71 -1.56 116.42 123.09 2i9s h ASP 76 Ca 0.29 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.77 2i9s h ASP 76 Cb 0.00 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.79 2i9s h ASP 76 CO -0.10 0.61 0.26 -0.26 -2.88 0.00 0.00 179.24 176.86 2i9s h PHE 77 N 0.95 0.48 -0.36 0.28 0.04 -0.18 -1.28 116.94 116.86 2i9s h PHE 77 Ca 0.25 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.07 2i9s h PHE 77 Cb -0.08 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2i9s h PHE 77 CO -0.02 0.19 0.20 -0.07 -0.60 0.00 0.00 178.31 178.01 2i9s h LEU 78 N 0.49 0.32 -1.44 1.54 3.38 -0.62 0.81 115.31 119.80 2i9s h LEU 78 Ca 0.27 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2i9s h LEU 78 Cb 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2i9s h LEU 78 CO -0.22 0.23 -0.02 0.58 0.09 0.00 0.00 178.44 179.10 2i9s h VAL 79 N 0.41 0.06 -0.00 1.22 2.07 -0.83 0.12 116.25 119.30 2i9s h VAL 79 Ca 0.15 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2i9s h VAL 79 Cb 0.02 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2i9s h VAL 79 CO -0.08 0.02 -0.43 -0.24 0.02 0.00 0.00 177.57 176.86 2i9s n SER 80 N -3.13 0.72 0.03 0.57 2.88 -0.05 -4.00 113.62 110.65 2i9s n SER 80 Ca 0.01 -0.52 -0.20 0.00 -1.33 0.00 0.00 58.87 56.83 2i9s n SER 80 Cb 0.32 0.24 -0.14 0.00 -0.75 0.00 0.00 64.21 63.87 2i9s n SER 80 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2i9s h GLN 81 N 0.46 0.28 0.00 -1.46 5.75 0.32 -3.49 115.11 116.96 2i9s h GLN 81 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2i9s h GLN 81 Cb 0.51 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2i9s h GLN 81 CO 0.00 1.16 0.00 -3.47 -2.65 0.00 0.00 178.83 173.87 2i9s n ASP 82 N -3.47 0.00 -3.34 -0.69 -0.08 -0.59 -5.07 116.55 103.32 2i9s n ASP 82 Ca -0.26 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.78 2i9s n ASP 82 Cb 1.06 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.43 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2i9s s ARG 83 N 1.44 0.78 0.51 -0.67 6.06 -1.26 -4.83 118.95 120.98 2i9s s ARG 83 Ca 0.00 -1.59 -0.06 0.00 -2.50 0.00 0.00 55.73 51.58 2i9s s ARG 83 Cb 0.00 -1.13 -0.03 0.00 0.06 0.00 0.00 34.95 33.85 2i9s s ARG 83 CO 0.00 -1.30 0.83 0.00 -2.50 0.00 0.00 175.30 172.33 2i9s n ALA 85 N -2.37 0.53 -3.96 0.00 0.00 -0.38 -4.83 120.51 109.50 2i9s n ALA 85 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2i9s n ALA 85 Cb 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.03 1.84 -0.48 0.00 2.12 -0.59 -4.94 118.70 115.62 2i9s s GLU 86 Ca 0.00 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.67 2i9s s GLU 86 Cb 0.00 -2.12 0.12 0.00 0.26 0.00 0.00 34.13 32.40 2i9s s GLU 86 CO 0.00 -0.37 0.31 0.08 -0.54 0.00 0.00 175.26 174.74 2i9s s VAL 87 N 1.53 3.76 -0.02 3.70 1.01 -1.26 -0.48 120.40 128.64 2i9s s VAL 87 Ca 0.02 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 59.91 2i9s s VAL 87 Cb -0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2i9s s VAL 87 CO -0.09 -0.76 -0.07 0.42 0.00 0.00 0.00 175.10 174.60 2i9s s THR 88 N 1.01 3.61 0.14 3.92 -4.23 -0.20 -5.02 115.64 114.87 2i9s s THR 88 Ca 0.09 -0.69 0.07 0.00 -1.18 0.00 0.00 61.69 59.98 2i9s s THR 88 Cb -0.23 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 2i9s s THR 88 CO -0.03 0.47 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.59 2i9s s LEU 89 N -1.20 2.42 0.56 4.79 2.01 -1.26 -1.28 118.68 124.72 2i9s s LEU 89 Ca 0.15 -0.83 -0.12 0.00 0.01 0.00 0.00 54.13 53.34 2i9s s LEU 89 Cb -0.11 -0.73 -0.05 0.00 0.01 0.00 0.00 46.19 45.31 2i9s s LEU 89 CO 0.05 -0.07 0.98 -0.70 1.01 0.00 0.00 176.35 177.62 2i9s s GLU 90 N -2.70 3.71 0.00 1.70 2.12 -1.17 -4.80 118.70 117.56 2i9s s GLU 90 Ca 0.13 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.21 2i9s s GLU 90 Cb -0.06 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.20 2i9s s GLU 90 CO 0.05 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 2i9s n GLY 91 N -2.27 4.16 3.66 -1.50 0.00 -1.26 -4.88 105.19 103.11 2i9s n GLY 91 Ca 0.06 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2i9s n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i9s s GLN 92 N -3.03 4.24 0.00 1.61 -1.52 0.11 -2.51 119.66 118.56 2i9s s GLN 92 Ca 0.00 0.76 0.00 0.00 -1.95 0.00 0.00 55.36 54.17 2i9s s GLN 92 Cb 0.00 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.21 2i9s s GLN 92 CO 0.00 -0.27 0.00 -0.12 -0.25 0.00 0.00 175.29 174.65 2i9s n MET 93 N 5.12 0.00 -2.77 2.91 1.56 -1.26 -3.70 117.12 118.97 2i9s n MET 93 Ca 0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.01 2i9s n MET 93 Cb 0.49 -2.36 -0.03 0.00 2.15 0.00 0.00 33.22 33.47 2i9s n MET 93 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 2i9s s TYR 94 N -2.88 3.00 0.62 1.12 6.14 -1.04 -4.94 117.35 119.38 2i9s s TYR 94 Ca 0.00 0.68 0.03 0.00 0.64 0.00 0.00 57.07 58.42 2i9s s TYR 94 Cb 0.00 -3.85 0.09 0.00 0.42 0.00 0.00 41.96 38.62 2i9s s TYR 94 CO 0.00 -0.96 0.86 -1.25 0.64 0.00 0.00 175.55 174.84 2i9s s PRO 95 N 3.70 2.11 0.00 4.97 0.04 -1.26 -4.71 135.00 139.85 2i9s s PRO 95 Ca 0.40 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.29 2i9s s PRO 95 Cb -0.11 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2i9s s PRO 95 CO 0.22 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2i9s n GLY 96 N -2.51 1.18 0.00 0.56 0.00 -1.26 -4.75 105.19 98.40 2i9s n GLY 96 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49