#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 0.89 0.00 1.61 0.11 -1.99 -3.45 132.00 129.16 2i9s h PRO 2 Ca 0.00 -0.45 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2i9s h PRO 2 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2i9s h PRO 2 CO 0.00 1.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 2i9s n GLY 3 N 0.07 0.53 3.77 -0.55 0.00 -1.26 -5.03 105.19 102.72 2i9s n GLY 3 Ca -0.02 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.81 4.29 -0.36 1.61 0.00 -1.26 -4.81 119.74 118.40 2i9s s LYS 4 Ca 0.00 2.19 -0.27 0.00 0.00 0.00 0.00 55.97 57.89 2i9s s LYS 4 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 37.83 34.76 2i9s s LYS 4 CO 0.00 -0.23 2.24 -2.14 0.00 0.00 0.00 175.35 175.22 2i9s s PRO 5 N -1.87 2.69 -0.06 1.78 0.02 -1.26 -4.72 135.00 131.58 2i9s s PRO 5 Ca 0.50 1.63 0.08 0.00 0.02 0.00 0.00 61.00 63.24 2i9s s PRO 5 Cb -0.39 -4.45 0.13 0.00 0.02 0.00 0.00 34.50 29.81 2i9s s PRO 5 CO 0.52 -2.61 1.02 -1.91 -0.33 0.00 0.00 177.00 173.69 2i9s n GLU 6 N 8.87 0.87 -3.16 5.54 4.07 -1.26 -5.04 120.64 130.52 2i9s n GLU 6 Ca 0.31 -1.69 -0.07 0.00 -0.06 0.00 0.00 57.16 55.65 2i9s n GLU 6 Cb 0.50 -0.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.89 2i9s n GLU 6 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2i9s n SER 7 N -0.68 -7.24 -4.04 4.31 7.64 -1.26 -0.67 113.62 111.67 2i9s n SER 7 Ca 0.07 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.51 2i9s n SER 7 Cb 0.61 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 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 -1.58 -1.69 -3.34 0.44 3.06 -1.26 -1.19 119.36 113.80 2i9s n ILE 8 Ca -0.04 -0.03 -0.17 0.00 -2.50 0.00 0.00 62.75 60.01 2i9s n ILE 8 Cb 0.53 -2.37 0.01 0.00 0.54 0.00 0.00 39.64 38.36 2i9s n ILE 8 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2i9s n LEU 9 N -4.54 -4.63 -2.95 9.51 -0.00 -1.14 -1.46 117.00 111.78 2i9s n LEU 9 Ca 0.04 -0.25 -0.20 0.00 -0.00 0.00 0.00 56.01 55.60 2i9s n LEU 9 Cb 0.52 -2.46 0.01 0.00 -0.00 0.00 0.00 43.42 41.48 2i9s n LEU 9 CO 0.80 -0.67 -0.08 2.29 -0.00 0.00 0.00 177.39 179.73 2i9s n LYS 10 N -1.43 -3.38 -1.27 1.47 2.85 0.15 -0.40 118.16 116.16 2i9s n LYS 10 Ca -0.09 0.67 -0.09 0.00 -1.05 0.00 0.00 58.31 57.74 2i9s n LYS 10 Cb 0.59 -5.39 -0.04 0.00 -0.65 0.00 0.00 35.03 29.54 2i9s n LYS 10 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2i9s n MET 11 N -3.51 -1.57 0.00 -1.58 2.81 -0.33 -4.38 117.12 108.56 2i9s n MET 11 Ca -0.10 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 2i9s n MET 11 Cb 0.59 -5.14 0.00 0.00 -0.71 0.00 0.00 33.22 27.96 2i9s n MET 11 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2i9s n THR 12 N -2.27 0.00 -4.09 2.03 -1.04 0.12 -5.03 114.28 104.00 2i9s n THR 12 Ca -0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 2i9s n THR 12 Cb 0.54 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.53 0.61 0.00 -2.82 2.20 0.47 -4.43 119.74 114.23 2i9s s LYS 13 Ca 0.00 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2i9s s LYS 13 Cb 0.00 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2i9s s LYS 13 CO 0.00 0.02 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 2i9s n LYS 14 N 0.99 0.00 0.00 4.03 4.76 -1.04 -4.14 118.16 122.76 2i9s n LYS 14 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2i9s n LYS 14 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i9s n GLY 15 N 0.00 -1.93 3.11 0.72 0.00 -1.18 -4.51 105.19 101.39 2i9s n GLY 15 Ca 0.00 0.94 -0.20 0.00 0.00 0.00 0.00 46.02 46.76 2i9s n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i9s s LYS 16 N 0.00 0.94 -0.46 1.61 0.00 -1.17 -3.77 119.74 116.88 2i9s s LYS 16 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 55.97 55.08 2i9s s LYS 16 Cb 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 37.83 36.94 2i9s s LYS 16 CO 0.00 0.24 1.10 0.99 0.00 0.00 0.00 175.35 177.68 2i9s s THR 17 N -0.61 4.27 -0.10 3.79 2.01 -1.26 -4.27 115.64 119.47 2i9s s THR 17 Ca 0.03 1.20 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 2i9s s THR 17 Cb -0.06 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.91 2i9s s THR 17 CO 0.00 -0.94 -0.01 -0.22 -0.69 0.00 0.00 174.62 172.77 2i9s s LEU 18 N 4.28 0.79 -0.59 4.42 2.96 0.90 -4.81 118.68 126.63 2i9s s LEU 18 Ca 0.46 -0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.87 2i9s s LEU 18 Cb -0.08 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.11 2i9s s LEU 18 CO 0.30 -0.20 1.07 0.00 -1.32 0.00 0.00 176.35 176.19 2i9s s MET 19 N 1.91 3.36 0.09 1.98 0.23 -0.49 -0.27 119.30 126.11 2i9s s MET 19 Ca 0.04 -0.13 -0.21 0.00 -1.03 0.00 0.00 55.69 54.36 2i9s s MET 19 Cb -0.13 -4.07 -0.07 0.00 -1.53 0.00 0.00 34.83 29.03 2i9s s MET 19 CO -0.06 -1.65 0.63 1.41 -2.03 0.00 0.00 175.02 173.31 2i9s s MET 20 N 4.50 4.30 -0.20 3.16 1.75 0.43 -3.92 119.30 129.33 2i9s s MET 20 Ca 0.35 0.85 -0.06 0.00 -1.25 0.00 0.00 55.69 55.57 2i9s s MET 20 Cb -0.11 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 2i9s s MET 20 CO 0.20 0.61 0.03 0.12 -0.65 0.00 0.00 175.02 175.33 2i9s s PHE 21 N -1.07 3.12 -0.03 4.11 2.19 -0.87 -1.66 117.98 123.76 2i9s s PHE 21 Ca 0.31 -0.23 0.05 0.00 0.33 0.00 0.00 56.93 57.39 2i9s s PHE 21 Cb -0.20 -2.09 -0.01 0.00 -1.31 0.00 0.00 43.02 39.40 2i9s s PHE 21 CO 0.21 -0.09 -0.19 0.54 1.83 0.00 0.00 175.22 177.51 2i9s s VAL 22 N 0.80 1.55 -0.15 3.12 0.11 -0.46 -0.08 120.40 125.29 2i9s s VAL 22 Ca 0.02 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 2i9s s VAL 22 Cb -0.14 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2i9s s VAL 22 CO 0.02 0.44 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.33 2i9s s THR 23 N -0.24 4.12 -0.50 5.04 2.01 0.16 -0.25 115.64 125.98 2i9s s THR 23 Ca 0.02 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 2i9s s THR 23 Cb -0.10 -2.81 0.13 0.00 0.01 0.00 0.00 72.50 69.74 2i9s s THR 23 CO 0.01 0.50 0.28 -0.69 -0.69 0.00 0.00 174.62 174.03 2i9s s VAL 24 N 0.19 3.15 -0.22 3.82 1.01 0.18 -0.24 120.40 128.29 2i9s s VAL 24 Ca -0.00 -2.72 0.14 0.00 0.00 0.00 0.00 61.98 59.40 2i9s s VAL 24 Cb -0.13 -3.14 0.46 0.00 0.00 0.00 0.00 36.38 33.56 2i9s s VAL 24 CO 0.02 -0.77 1.18 -0.24 0.00 0.00 0.00 175.10 175.29 2i9s n SER 25 N 3.80 2.87 -0.10 3.32 2.88 -1.03 -4.44 113.62 120.93 2i9s n SER 25 Ca 0.04 -3.21 0.03 0.00 -1.33 0.00 0.00 58.87 54.40 2i9s n SER 25 Cb 0.38 -0.41 0.35 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.79 0.79 -4.44 0.46 0.00 -1.82 -3.39 103.07 96.46 2i9s h GLY 26 Ca 0.09 -0.29 -0.66 0.00 0.00 0.00 0.00 47.33 46.46 2i9s h GLY 26 CO 0.35 0.28 -0.71 -1.31 0.00 0.00 0.00 176.54 175.15 2i9s s ASN 27 N -6.53 4.61 -0.46 0.19 0.02 -1.26 -5.03 114.94 106.48 2i9s s ASN 27 Ca -0.09 -0.27 -0.02 0.00 -1.02 0.00 0.00 52.86 51.45 2i9s s ASN 27 Cb 0.18 -0.99 0.23 0.00 0.02 0.00 0.00 41.25 40.69 2i9s s ASN 27 CO 0.75 0.20 2.21 -0.81 0.02 0.00 0.00 177.10 179.48 2i9s n PRO 28 N 0.87 2.20 0.00 -0.60 -0.05 -1.26 -4.86 135.00 131.30 2i9s n PRO 28 Ca -0.13 -2.24 0.00 0.00 -0.05 0.00 0.00 63.50 61.08 2i9s n PRO 28 Cb 0.52 -1.93 0.00 0.00 -0.05 0.00 0.00 33.50 32.04 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2i9s n THR 29 N 0.16 0.00 -1.12 0.52 -2.24 -1.26 -5.01 114.28 105.33 2i9s n THR 29 Ca 0.43 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.27 2i9s n THR 29 Cb 0.56 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.17 -0.03 -0.78 2.13 -1.26 -2.40 120.64 119.47 2i9s n GLU 30 Ca 0.00 -1.95 -0.18 0.00 0.66 0.00 0.00 57.16 55.69 2i9s n GLU 30 Cb 0.00 -1.15 -0.14 0.00 0.27 0.00 0.00 31.44 30.43 2i9s n GLU 30 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2i9s n LYS 31 N -0.90 0.71 -0.13 5.31 0.00 -1.26 -0.24 118.16 121.65 2i9s n LYS 31 Ca 0.09 0.23 -0.10 0.00 0.00 0.00 0.00 58.31 58.53 2i9s n LYS 31 Cb 0.59 -1.67 -0.02 0.00 0.00 0.00 0.00 35.03 33.93 2i9s n LYS 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2i9s h GLU 32 N 0.04 0.65 -0.04 1.64 9.09 -1.89 -1.77 114.58 122.29 2i9s h GLU 32 Ca -0.45 -0.19 0.02 0.00 0.05 0.00 0.00 59.36 58.79 2i9s h GLU 32 Cb 2.02 -0.07 -0.04 0.00 -1.65 0.00 0.00 28.75 29.01 2i9s h GLU 32 CO 0.05 0.73 -0.41 1.15 0.05 0.00 0.00 179.01 180.57 2i9s h THR 33 N 0.47 0.00 -0.13 -1.06 2.02 -1.84 -1.46 112.91 110.92 2i9s h THR 33 Ca 0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.34 2i9s h THR 33 Cb 0.42 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 2i9s h THR 33 CO 0.01 0.00 -0.31 1.05 0.37 0.00 0.00 175.52 176.64 2i9s h GLU 34 N -0.49 -0.37 -0.02 6.66 4.11 -0.25 0.72 114.58 124.94 2i9s h GLU 34 Ca 0.01 0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2i9s h GLU 34 Cb 0.54 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2i9s h GLU 34 CO -0.30 -0.25 0.00 1.05 0.07 0.00 0.00 179.01 179.59 2i9s h GLU 35 N -0.39 0.03 -0.18 1.06 4.11 -1.31 -1.70 114.58 116.20 2i9s h GLU 35 Ca 0.10 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.39 2i9s h GLU 35 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2i9s h GLU 35 CO -0.35 0.28 -0.37 0.82 0.07 0.00 0.00 179.01 179.46 2i9s h ILE 36 N -0.22 1.34 -0.43 -1.06 2.04 -0.99 -1.44 117.51 116.75 2i9s h ILE 36 Ca 0.01 -1.62 -0.10 0.00 1.00 0.00 0.00 64.86 64.15 2i9s h ILE 36 Cb 0.27 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2i9s h ILE 36 CO 0.00 0.50 -0.14 0.71 0.00 0.00 0.00 178.15 179.22 2i9s h THR 37 N 0.23 1.26 -0.47 -0.27 1.35 0.45 0.39 112.91 115.85 2i9s h THR 37 Ca 0.00 -1.21 -0.12 0.00 -0.55 0.00 0.00 66.41 64.54 2i9s h THR 37 Cb 0.98 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2i9s h THR 37 CO 0.08 0.41 -0.17 0.28 -0.25 0.00 0.00 175.52 175.87 2i9s h SER 38 N 0.70 0.94 -0.13 5.36 0.02 -1.23 0.33 113.55 119.53 2i9s h SER 38 Ca 0.11 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 2i9s h SER 38 Cb 0.63 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2i9s h SER 38 CO 0.04 1.09 -0.25 0.25 -1.14 0.00 0.00 176.83 176.82 2i9s h LEU 39 N 0.81 0.59 0.00 5.07 5.85 -0.69 -0.76 115.31 126.19 2i9s h LEU 39 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2i9s h LEU 39 Cb 0.72 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2i9s h LEU 39 CO 0.06 0.82 0.00 0.79 -0.34 0.00 0.00 178.44 179.77 2i9s n TRP 40 N -4.11 0.00 0.29 1.25 8.01 0.13 -1.54 117.44 121.48 2i9s n TRP 40 Ca -0.00 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.37 2i9s n TRP 40 Cb 0.42 -0.12 0.85 0.00 -2.01 0.00 0.00 31.31 30.44 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2i9s h GLN 41 N 0.00 0.00 0.53 -0.99 -0.00 -0.47 0.71 115.11 114.88 2i9s h GLN 41 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 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 0.03 -0.26 0.78 -0.00 0.00 0.00 178.83 179.38 2i9s h GLY 42 N 1.26 -0.75 2.00 0.06 0.00 -1.24 -1.24 103.07 103.16 2i9s h GLY 42 Ca -0.00 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2i9s h GLY 42 CO 0.00 -0.27 -0.38 0.23 0.00 0.00 0.00 176.54 176.12 2i9s h SER 43 N -0.72 0.00 -0.50 0.19 0.87 0.15 0.10 113.55 113.64 2i9s h SER 43 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2i9s h SER 43 Cb 0.56 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2i9s h SER 43 CO 0.11 0.38 0.28 -0.07 -0.53 0.00 0.00 176.83 177.00 2i9s h LEU 44 N 0.00 0.63 0.00 2.23 3.38 0.60 0.26 115.31 122.40 2i9s h LEU 44 Ca -0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2i9s h LEU 44 Cb 0.83 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2i9s h LEU 44 CO 0.05 0.51 -1.58 0.33 0.09 0.00 0.00 178.44 177.84 2i9s n PHE 45 N -4.41 0.91 0.05 1.13 7.35 -0.49 -2.58 117.46 119.42 2i9s n PHE 45 Ca 0.05 0.31 -0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2i9s n PHE 45 Cb 0.10 -1.10 0.30 0.00 0.35 0.00 0.00 39.48 39.12 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 0.39 -0.08 -2.13 -0.73 0.08 -0.77 115.58 112.34 2i9s h ASN 46 Ca -0.22 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2i9s h ASN 46 Cb 1.75 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.24 2i9s h ASN 46 CO 0.05 0.55 0.00 0.00 -0.37 0.00 0.00 177.43 177.67 2i9s n ALA 47 N -2.48 2.55 -3.37 1.57 0.00 0.83 -4.97 120.51 114.63 2i9s n ALA 47 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 2i9s n ALA 47 Cb 0.31 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 0.28 -6.50 -4.97 0.00 2.85 -0.30 -5.04 115.26 101.59 2i9s n ASN 48 Ca 0.18 -0.56 -0.21 0.00 -0.11 0.00 0.00 54.58 53.87 2i9s n ASN 48 Cb 0.35 -4.16 -0.02 0.00 1.24 0.00 0.00 39.78 37.20 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2i9s s TYR 49 N -3.17 3.46 -0.98 1.20 2.02 -1.06 -5.03 117.35 113.79 2i9s s TYR 49 Ca 0.18 0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 2i9s s TYR 49 Cb -0.05 -1.60 0.20 0.00 -0.40 0.00 0.00 41.96 40.11 2i9s s TYR 49 CO 0.80 0.41 1.05 0.34 -1.57 0.00 0.00 175.55 176.58 2i9s s ASP 50 N -3.97 6.89 0.14 2.29 2.15 -1.26 -4.81 116.67 118.09 2i9s s ASP 50 Ca 0.35 -2.74 -0.08 0.00 0.43 0.00 0.00 52.55 50.51 2i9s s ASP 50 Cb -0.09 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2i9s s ASP 50 CO 0.30 -0.68 0.23 0.68 -0.17 0.00 0.00 175.17 175.52 2i9s s VAL 51 N 0.83 0.10 -0.16 1.11 -7.23 -1.26 -3.90 120.40 109.89 2i9s s VAL 51 Ca 0.29 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2i9s s VAL 51 Cb -0.07 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.22 2i9s s VAL 51 CO -0.07 -0.44 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.12 2i9s s GLN 52 N -3.94 1.52 -0.02 4.82 -0.21 -0.48 -4.91 119.66 116.43 2i9s s GLN 52 Ca 0.14 -0.52 0.07 0.00 0.02 0.00 0.00 55.36 55.07 2i9s s GLN 52 Cb 0.04 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 2i9s s GLN 52 CO -0.04 -0.41 -0.24 1.03 -2.12 0.00 0.00 175.29 173.52 2i9s s ARG 53 N 1.62 2.02 0.07 2.91 3.00 -1.26 0.66 118.95 127.96 2i9s s ARG 53 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 55.73 54.92 2i9s s ARG 53 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.86 2i9s s ARG 53 CO -0.08 0.50 -0.10 -0.06 0.00 0.00 0.00 175.30 175.55 2i9s s PHE 54 N -0.50 0.95 -0.71 -0.53 0.08 -0.73 -4.93 117.98 111.60 2i9s s PHE 54 Ca 0.07 -0.54 -0.18 0.00 0.12 0.00 0.00 56.93 56.40 2i9s s PHE 54 Cb -0.10 -0.54 0.13 0.00 -0.57 0.00 0.00 43.02 41.94 2i9s s PHE 54 CO -0.00 -0.02 0.82 0.42 -0.10 0.00 0.00 175.22 176.34 2i9s s ILE 55 N -1.70 4.90 -0.14 0.64 1.01 -1.26 -0.68 121.20 123.97 2i9s s ILE 55 Ca -0.03 -1.32 0.18 0.00 0.00 0.00 0.00 60.65 59.49 2i9s s ILE 55 Cb -0.08 -4.56 -0.14 0.00 0.01 0.00 0.00 42.46 37.69 2i9s s ILE 55 CO 0.01 -1.21 0.76 1.33 0.00 0.00 0.00 174.94 175.82 2i9s n VAL 56 N 5.30 0.98 -3.81 2.92 0.24 -1.13 -5.01 118.33 117.81 2i9s n VAL 56 Ca 0.02 -0.66 -0.05 0.00 -2.04 0.00 0.00 64.34 61.61 2i9s n VAL 56 Cb 0.45 -0.57 -0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 -4.75 -0.03 -0.21 7.63 0.00 -0.59 -4.99 107.32 104.39 2i9s s GLY 57 Ca -0.04 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 2i9s s GLY 57 CO 0.82 0.54 1.57 -0.45 0.00 0.00 0.00 173.10 175.58 2i9s s SER 58 N -3.08 6.47 -0.54 1.64 0.15 -1.26 -1.29 113.70 115.79 2i9s s SER 58 Ca 0.15 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.45 2i9s s SER 58 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2i9s s SER 58 CO 0.05 -1.18 0.00 -0.90 1.20 0.00 0.00 173.24 172.42 2i9s n ASP 59 N 8.12 -3.91 -3.97 5.45 5.68 -1.01 -4.90 116.55 122.01 2i9s n ASP 59 Ca 0.18 0.13 -0.21 0.00 -0.50 0.00 0.00 54.79 54.38 2i9s n ASP 59 Cb 0.45 -1.86 -0.16 0.00 -1.14 0.00 0.00 41.12 38.41 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2i9s s ARG 60 N -2.06 1.14 0.17 0.11 3.00 -0.41 0.49 118.95 121.39 2i9s s ARG 60 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 55.73 55.46 2i9s s ARG 60 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 34.95 33.88 2i9s s ARG 60 CO 0.00 0.03 0.05 0.00 0.00 0.00 0.00 175.30 175.38 2i9s s ALA 61 N 0.56 1.19 0.05 2.13 0.00 0.65 -1.55 121.76 124.81 2i9s s ALA 61 Ca -0.09 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 2i9s s ALA 61 Cb -0.13 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2i9s s ALA 61 CO 0.01 -0.44 0.09 0.96 0.00 0.00 0.00 175.76 176.39 2i9s s ILE 62 N -3.89 0.15 -0.22 0.00 -4.36 0.14 -1.36 121.20 111.67 2i9s s ILE 62 Ca 0.28 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.41 2i9s s ILE 62 Cb 0.07 -1.14 0.05 0.00 1.25 0.00 0.00 42.46 42.69 2i9s s ILE 62 CO 0.06 -0.70 -0.06 -0.36 0.24 0.00 0.00 174.94 174.11 2i9s s PHE 63 N -3.21 2.30 -0.87 1.37 0.08 -0.67 -1.78 117.98 115.19 2i9s s PHE 63 Ca 0.00 -1.63 -0.22 0.00 0.12 0.00 0.00 56.93 55.19 2i9s s PHE 63 Cb 0.02 -1.55 0.07 0.00 -0.57 0.00 0.00 43.02 41.00 2i9s s PHE 63 CO -0.07 -0.75 1.23 1.41 -0.10 0.00 0.00 175.22 176.94 2i9s s MET 64 N 1.43 3.43 0.03 0.44 1.75 0.21 -0.43 119.30 126.16 2i9s s MET 64 Ca -0.04 -1.11 -0.04 0.00 -1.25 0.00 0.00 55.69 53.26 2i9s s MET 64 Cb -0.18 -4.81 -0.04 0.00 2.84 0.00 0.00 34.83 32.64 2i9s s MET 64 CO -0.07 -1.99 0.24 -0.48 -0.65 0.00 0.00 175.02 172.07 2i9s s LEU 65 N 4.24 4.35 0.01 4.11 -0.00 0.63 -1.39 118.68 130.63 2i9s s LEU 65 Ca 0.35 0.43 -0.02 0.00 -0.00 0.00 0.00 54.13 54.89 2i9s s LEU 65 Cb -0.06 -2.79 -0.01 0.00 -0.00 0.00 0.00 46.19 43.32 2i9s s LEU 65 CO -0.02 0.21 -0.05 -2.11 -0.00 0.00 0.00 176.35 174.39 2i9s n ARG 66 N 0.75 0.08 0.32 1.48 -4.01 -1.25 -0.07 116.66 113.96 2i9s n ARG 66 Ca -0.09 0.03 0.09 0.00 -1.04 0.00 0.00 57.85 56.84 2i9s n ARG 66 Cb 0.52 -0.63 0.47 0.00 -3.04 0.00 0.00 32.46 29.78 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2i9s h ASP 67 N -0.14 0.00 -0.03 2.89 3.58 -1.85 -3.11 116.42 117.76 2i9s h ASP 67 Ca -0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2i9s h ASP 67 Cb 0.66 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2i9s h ASP 67 CO -0.03 0.00 -0.01 0.61 -2.88 0.00 0.00 179.24 176.93 2i9s n GLY 68 N -1.33 0.06 2.36 -0.78 0.00 -1.26 -3.13 105.19 101.11 2i9s n GLY 68 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.70 3.55 0.00 1.61 7.64 -1.26 -2.51 113.62 121.95 2i9s n SER 69 Ca -0.01 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 2i9s n SER 69 Cb 0.47 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.66 0.00 0.09 1.43 4.11 -1.26 -4.97 117.16 115.89 2i9s n TYR 70 Ca 0.29 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.97 2i9s n TYR 70 Cb 0.90 0.01 -0.15 0.00 -0.00 0.00 0.00 39.34 40.10 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i9s h ALA 71 N 0.00 -0.11 -0.00 -3.48 0.00 -1.88 -2.55 119.26 111.24 2i9s h ALA 71 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2i9s h ALA 71 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2i9s h ALA 71 CO 0.00 0.51 -0.64 0.91 0.00 0.00 0.00 179.25 180.03 2i9s n TRP 72 N -3.97 0.00 -0.06 0.00 8.01 -1.26 -1.24 117.44 118.92 2i9s n TRP 72 Ca -0.15 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.91 2i9s n TRP 72 Cb 0.93 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 30.05 2i9s n TRP 72 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 2i9s h GLU 73 N 0.01 0.79 -0.85 -0.99 4.57 -1.96 -1.54 114.58 114.60 2i9s h GLU 73 Ca 0.00 -0.47 0.03 0.00 -1.18 0.00 0.00 59.36 57.74 2i9s h GLU 73 Cb 0.50 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 2i9s h GLU 73 CO 0.00 1.10 0.56 0.82 -1.18 0.00 0.00 179.01 180.31 2i9s h ILE 74 N 0.62 1.16 -0.67 2.32 2.04 -0.73 -1.93 117.51 120.32 2i9s h ILE 74 Ca 0.03 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.55 2i9s h ILE 74 Cb 1.08 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2i9s h ILE 74 CO 0.11 0.20 0.41 0.50 0.00 0.00 0.00 178.15 179.36 2i9s h LYS 75 N 1.09 0.76 -0.71 2.37 3.11 -0.57 0.16 116.57 122.78 2i9s h LYS 75 Ca 0.33 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 58.17 2i9s h LYS 75 Cb -0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 30.99 2i9s h LYS 75 CO -0.09 0.50 0.43 0.22 -2.81 0.00 0.00 179.45 177.70 2i9s h ASP 76 N 0.78 0.68 -0.06 4.20 3.58 -0.56 -1.36 116.42 123.68 2i9s h ASP 76 Ca 0.28 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 2i9s h ASP 76 Cb 0.08 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2i9s h ASP 76 CO -0.13 0.46 -0.02 0.15 -2.88 0.00 0.00 179.24 176.82 2i9s h PHE 77 N 0.82 0.23 0.25 0.28 3.57 -0.48 -0.17 116.94 121.43 2i9s h PHE 77 Ca 0.30 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 2i9s h PHE 77 Cb 0.09 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2i9s h PHE 77 CO -0.05 0.26 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.74 2i9s h LEU 78 N 0.22 -1.37 -0.17 0.59 3.38 0.06 0.90 115.31 118.93 2i9s h LEU 78 Ca 0.05 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2i9s h LEU 78 Cb 0.19 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2i9s h LEU 78 CO 0.01 -0.56 0.00 0.52 0.09 0.00 0.00 178.44 178.49 2i9s n VAL 79 N -5.50 0.57 1.10 1.22 0.31 -0.90 -0.36 118.33 114.77 2i9s n VAL 79 Ca -0.09 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.30 2i9s n VAL 79 Cb 0.41 -0.74 0.26 0.00 -0.91 0.00 0.00 33.84 32.86 2i9s n VAL 79 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2i9s n SER 80 N -2.04 0.87 -0.08 4.52 7.64 -0.11 -4.05 113.62 120.37 2i9s n SER 80 Ca 0.05 -0.67 -0.16 0.00 1.01 0.00 0.00 58.87 59.10 2i9s n SER 80 Cb 0.34 0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 2i9s n SER 80 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2i9s h GLN 81 N 0.68 0.00 0.00 1.43 -0.00 0.38 -3.50 115.11 114.10 2i9s h GLN 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2i9s h GLN 81 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.00 2i9s h GLN 81 CO 0.00 0.90 0.00 -3.47 0.00 0.00 0.00 178.83 176.26 2i9s n ASP 82 N -4.55 0.00 -3.47 -0.69 -0.08 -0.76 -5.09 116.55 101.91 2i9s n ASP 82 Ca -0.18 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.81 2i9s n ASP 82 Cb 0.52 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 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 0.74 0.47 0.38 -0.67 0.52 -1.26 -4.75 118.95 114.37 2i9s s ARG 83 Ca 0.00 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2i9s s ARG 83 Cb 0.00 -1.24 -0.02 0.00 0.52 0.00 0.00 34.95 34.20 2i9s s ARG 83 CO 0.00 -1.17 0.59 0.00 0.02 0.00 0.00 175.30 174.74 2i9s n ALA 85 N -1.89 0.34 -3.70 0.00 0.00 0.66 -4.75 120.51 111.16 2i9s n ALA 85 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2i9s n ALA 85 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.55 0.12 -0.28 0.00 2.12 -0.61 -4.95 118.70 114.56 2i9s s GLU 86 Ca 0.00 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2i9s s GLU 86 Cb 0.00 -0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.32 2i9s s GLU 86 CO 0.00 -0.23 0.04 0.54 -0.54 0.00 0.00 175.26 175.07 2i9s s VAL 87 N 1.76 1.30 -0.41 3.70 0.11 -1.26 0.40 120.40 125.99 2i9s s VAL 87 Ca -0.04 -1.45 -0.14 0.00 -2.93 0.00 0.00 61.98 57.42 2i9s s VAL 87 Cb -0.11 -1.84 0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2i9s s VAL 87 CO -0.07 -0.45 0.29 -0.89 -3.33 0.00 0.00 175.10 170.65 2i9s s THR 88 N 1.44 5.12 0.01 5.04 2.01 0.89 -5.01 115.64 125.14 2i9s s THR 88 Ca 0.04 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2i9s s THR 88 Cb -0.18 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2i9s s THR 88 CO -0.15 -0.33 -0.03 -1.48 -0.69 0.00 0.00 174.62 171.94 2i9s s LEU 89 N 1.65 2.16 -0.10 4.42 -0.00 -1.26 -2.05 118.68 123.50 2i9s s LEU 89 Ca 0.04 -0.34 -0.07 0.00 -0.00 0.00 0.00 54.13 53.77 2i9s s LEU 89 Cb -0.20 0.03 0.03 0.00 -0.00 0.00 0.00 46.19 46.06 2i9s s LEU 89 CO 0.09 -0.19 0.24 -1.61 -0.00 0.00 0.00 176.35 174.89 2i9s s GLU 90 N -0.98 0.25 0.03 1.48 0.41 -1.26 -5.04 118.70 113.60 2i9s s GLU 90 Ca -0.10 0.43 0.23 0.00 -0.41 0.00 0.00 54.97 55.12 2i9s s GLU 90 Cb -0.07 0.02 0.09 0.00 -1.78 0.00 0.00 34.13 32.39 2i9s s GLU 90 CO -0.01 -0.09 1.08 0.41 -0.49 0.00 0.00 175.26 176.16 2i9s n GLY 91 N 3.54 -1.18 3.31 -1.39 0.00 -1.26 -4.59 105.19 103.61 2i9s n GLY 91 Ca -0.18 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2i9s n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i9s s GLN 92 N -3.13 3.07 -0.58 1.61 2.00 -1.26 -4.66 119.66 116.71 2i9s s GLN 92 Ca 0.06 -0.85 -0.10 0.00 -2.00 0.00 0.00 55.36 52.46 2i9s s GLN 92 Cb 0.15 -3.23 0.01 0.00 0.80 0.00 0.00 33.01 30.74 2i9s s GLN 92 CO 0.79 -0.40 0.64 -0.12 -0.50 0.00 0.00 175.29 175.71 2i9s n MET 93 N 4.81 -1.89 -3.15 1.67 0.00 -1.26 -4.97 117.12 112.32 2i9s n MET 93 Ca -0.15 1.77 0.05 0.00 0.00 0.00 0.00 57.70 59.37 2i9s n MET 93 Cb 0.48 -5.34 -0.00 0.00 0.00 0.00 0.00 33.22 28.35 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 -2.72 -0.67 0.07 1.12 5.04 -1.26 -4.99 117.35 113.95 2i9s s TYR 94 Ca 0.14 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 55.25 2i9s s TYR 94 Cb -0.04 0.14 -0.25 0.00 0.35 0.00 0.00 41.96 42.17 2i9s s TYR 94 CO 0.77 -0.38 1.12 -1.35 -1.34 0.00 0.00 175.55 174.37 2i9s h PRO 95 N 7.54 0.15 0.00 4.97 0.11 -1.91 -3.45 132.00 139.41 2i9s h PRO 95 Ca -0.10 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2i9s h PRO 95 Cb 1.18 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2i9s h PRO 95 CO -0.06 1.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.21 2i9s n GLY 96 N 1.48 0.11 0.00 -0.55 0.00 -1.25 -1.39 105.19 103.59 2i9s n GLY 96 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60