#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s n PRO 2 N 0.00 0.43 -0.03 1.61 -0.04 -1.26 -3.09 135.00 132.61 2i9s n PRO 2 Ca 0.00 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2i9s n PRO 2 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2i9s n PRO 2 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2i9s h GLY 3 N 2.60 0.72 -5.98 0.55 0.00 -2.02 -3.43 103.07 95.51 2i9s h GLY 3 Ca 0.00 -0.75 -0.63 0.00 0.00 0.00 0.00 47.33 45.95 2i9s h GLY 3 CO 0.00 0.68 -0.51 -1.59 0.00 0.00 0.00 176.54 175.12 2i9s s LYS 4 N -4.23 3.84 0.00 4.80 -2.85 -1.18 -5.10 119.74 115.02 2i9s s LYS 4 Ca -0.08 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 2i9s s LYS 4 Cb 0.12 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 2i9s s LYS 4 CO 0.84 0.47 0.00 -2.30 0.10 0.00 0.00 175.35 174.46 2i9s n PRO 5 N 2.97 0.46 0.00 1.78 -0.02 -1.26 -4.19 135.00 134.73 2i9s n PRO 5 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2i9s n PRO 5 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2i9s n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2i9s n GLU 6 N -0.58 0.00 -1.20 -0.52 1.02 -1.26 -4.89 120.64 113.20 2i9s n GLU 6 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2i9s n GLU 6 Cb 0.00 -0.98 0.13 0.00 -0.02 0.00 0.00 31.44 30.57 2i9s n GLU 6 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2i9s n SER 7 N 0.50 0.09 -4.20 1.62 2.88 -1.26 -0.51 113.62 112.74 2i9s n SER 7 Ca 0.00 -1.31 -0.33 0.00 -1.33 0.00 0.00 58.87 55.89 2i9s n SER 7 Cb 0.00 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.76 2i9s n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9s n ILE 8 N -3.11 -0.47 -2.75 2.46 0.13 -1.26 -1.18 119.36 113.18 2i9s n ILE 8 Ca 0.10 -0.24 -0.03 0.00 -1.10 0.00 0.00 62.75 61.49 2i9s n ILE 8 Cb 0.36 -0.69 0.01 0.00 -0.84 0.00 0.00 39.64 38.48 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 -4.00 -5.55 -3.81 9.51 -0.00 -1.25 -0.29 117.00 111.62 2i9s n LEU 9 Ca -0.10 -0.17 -0.27 0.00 -0.00 0.00 0.00 56.01 55.47 2i9s n LEU 9 Cb 0.53 -2.77 0.03 0.00 -0.00 0.00 0.00 43.42 41.21 2i9s n LEU 9 CO 0.82 -0.66 0.07 2.29 -0.00 0.00 0.00 177.39 179.91 2i9s n LYS 10 N -1.89 -5.60 -2.86 1.47 -0.00 0.33 -1.43 118.16 108.18 2i9s n LYS 10 Ca -0.01 0.63 -0.11 0.00 -0.00 0.00 0.00 58.31 58.82 2i9s n LYS 10 Cb 0.52 -5.44 0.06 0.00 -0.00 0.00 0.00 35.03 30.17 2i9s n LYS 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2i9s n MET 11 N -4.58 -2.48 -2.66 -1.58 0.00 -0.32 -4.28 117.12 101.21 2i9s n MET 11 Ca -0.08 0.64 -0.09 0.00 -0.00 0.00 0.00 57.70 58.17 2i9s n MET 11 Cb 0.58 -4.77 0.05 0.00 0.00 0.00 0.00 33.22 29.07 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 -2.91 -4.73 -1.64 1.12 -1.04 0.60 -4.90 114.28 100.77 2i9s n THR 12 Ca -0.09 -0.56 -0.56 0.00 -2.04 0.00 0.00 64.05 60.79 2i9s n THR 12 Cb 0.60 -4.56 -0.07 0.00 -1.82 0.00 0.00 70.33 64.48 2i9s n THR 12 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2i9s n LYS 13 N -2.65 0.96 0.11 -2.82 2.85 -0.51 -4.34 118.16 111.76 2i9s n LYS 13 Ca -0.10 0.35 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 2i9s n LYS 13 Cb 0.58 -1.99 0.45 0.00 -0.65 0.00 0.00 35.03 33.42 2i9s n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2i9s n LYS 14 N 3.71 0.22 -1.70 -1.58 4.81 -1.26 -3.46 118.16 118.91 2i9s n LYS 14 Ca 0.23 0.28 -0.35 0.00 -0.87 0.00 0.00 58.31 57.60 2i9s n LYS 14 Cb 0.14 -1.81 0.05 0.00 0.02 0.00 0.00 35.03 33.43 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i9s n GLY 15 N 0.80 5.80 3.02 3.14 0.00 -1.26 -3.52 105.19 113.17 2i9s n GLY 15 Ca 0.04 -2.44 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.88 1.29 -0.35 1.61 2.47 -1.22 -5.02 119.74 114.64 2i9s s LYS 16 Ca 0.58 -0.37 -0.08 0.00 -1.56 0.00 0.00 55.97 54.54 2i9s s LYS 16 Cb 0.47 -1.14 0.04 0.00 -1.46 0.00 0.00 37.83 35.73 2i9s s LYS 16 CO -0.17 0.09 0.13 0.95 0.16 0.00 0.00 175.35 176.51 2i9s s THR 17 N 0.36 3.99 -0.06 3.43 -4.23 -1.25 -3.57 115.64 114.31 2i9s s THR 17 Ca -0.07 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2i9s s THR 17 Cb -0.12 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.50 2i9s s THR 17 CO 0.02 -0.19 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.66 2i9s s LEU 18 N 1.44 0.95 -0.48 4.79 2.96 -0.63 -4.95 118.68 122.76 2i9s s LEU 18 Ca -0.01 -0.11 -0.25 0.00 -0.22 0.00 0.00 54.13 53.55 2i9s s LEU 18 Cb -0.19 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.08 2i9s s LEU 18 CO 0.04 -0.13 0.93 0.00 -1.32 0.00 0.00 176.35 175.86 2i9s s MET 19 N 1.47 3.49 -0.06 1.98 0.23 -1.26 -0.73 119.30 124.41 2i9s s MET 19 Ca -0.02 0.08 -0.26 0.00 -1.03 0.00 0.00 55.69 54.46 2i9s s MET 19 Cb -0.13 -3.95 -0.03 0.00 -1.53 0.00 0.00 34.83 29.19 2i9s s MET 19 CO -0.03 -1.27 0.80 -1.64 -2.03 0.00 0.00 175.02 170.85 2i9s s MET 20 N 3.78 4.45 -0.34 3.16 -1.94 -0.32 -4.75 119.30 123.35 2i9s s MET 20 Ca 0.36 1.05 -0.05 0.00 -1.71 0.00 0.00 55.69 55.34 2i9s s MET 20 Cb -0.11 -3.47 0.05 0.00 2.01 0.00 0.00 34.83 33.31 2i9s s MET 20 CO 0.25 -0.03 0.09 0.12 -0.01 0.00 0.00 175.02 175.44 2i9s s PHE 21 N 1.08 3.28 -0.10 -0.03 2.19 -0.73 -1.53 117.98 122.14 2i9s s PHE 21 Ca 0.42 -1.62 0.03 0.00 0.33 0.00 0.00 56.93 56.09 2i9s s PHE 21 Cb -0.18 -2.33 0.01 0.00 -1.31 0.00 0.00 43.02 39.20 2i9s s PHE 21 CO 0.20 -0.77 -0.19 0.54 1.83 0.00 0.00 175.22 176.82 2i9s s VAL 22 N 1.35 1.74 0.13 3.12 0.11 -0.54 -0.99 120.40 125.32 2i9s s VAL 22 Ca -0.02 -0.82 -0.20 0.00 -2.93 0.00 0.00 61.98 58.01 2i9s s VAL 22 Cb -0.20 -1.53 -0.07 0.00 -1.53 0.00 0.00 36.38 33.05 2i9s s VAL 22 CO 0.01 0.49 0.65 -0.89 -3.33 0.00 0.00 175.10 172.03 2i9s s THR 23 N 0.57 4.63 -0.34 5.04 2.01 0.16 -1.49 115.64 126.22 2i9s s THR 23 Ca -0.15 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.16 2i9s s THR 23 Cb -0.17 -3.93 0.11 0.00 0.01 0.00 0.00 72.50 68.52 2i9s s THR 23 CO 0.05 0.45 0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 2i9s s VAL 24 N -1.24 0.94 0.00 3.82 1.01 -0.91 -1.33 120.40 122.69 2i9s s VAL 24 Ca 0.34 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.67 2i9s s VAL 24 Cb -0.19 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2i9s s VAL 24 CO 0.21 -0.74 0.00 -1.20 0.00 0.00 0.00 175.10 173.37 2i9s n SER 25 N 4.53 0.00 0.00 3.32 7.64 -0.78 -3.53 113.62 124.81 2i9s n SER 25 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2i9s n SER 25 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2i9s n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i9s n GLY 26 N 0.00 0.69 3.57 0.23 0.00 -1.26 -4.99 105.19 103.43 2i9s n GLY 26 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.24 6.35 -0.31 1.61 3.84 -1.23 -4.86 114.94 120.10 2i9s s ASN 27 Ca 0.00 0.00 0.01 0.00 0.21 0.00 0.00 52.86 53.08 2i9s s ASN 27 Cb 0.00 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.48 2i9s s ASN 27 CO 0.00 -1.59 1.71 -0.81 -2.79 0.00 0.00 177.10 173.63 2i9s n PRO 28 N 8.68 1.81 -4.24 0.43 -0.04 -1.26 -3.31 135.00 137.07 2i9s n PRO 28 Ca 0.08 -1.79 -0.18 0.00 -0.04 0.00 0.00 63.50 61.57 2i9s n PRO 28 Cb 0.49 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 2i9s n PRO 28 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i9s s THR 29 N -2.23 1.32 -2.00 0.52 2.01 -1.26 -4.82 115.64 109.18 2i9s s THR 29 Ca 0.35 -1.75 0.11 0.00 0.31 0.00 0.00 61.69 60.70 2i9s s THR 29 Cb 0.28 -1.56 0.30 0.00 0.01 0.00 0.00 72.50 71.53 2i9s s THR 29 CO 0.04 -0.45 1.07 1.21 -0.69 0.00 0.00 174.62 175.80 2i9s n GLU 30 N 0.46 0.50 0.31 4.92 2.13 -1.26 -3.51 120.64 124.18 2i9s n GLU 30 Ca -0.15 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.50 2i9s n GLU 30 Cb 0.57 -1.33 -0.09 0.00 0.27 0.00 0.00 31.44 30.87 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 -0.72 0.17 5.31 3.11 -1.95 0.80 116.57 123.29 2i9s h LYS 31 Ca 0.00 0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2i9s h LYS 31 Cb 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2i9s h LYS 31 CO 0.00 -0.48 -0.08 1.49 -2.81 0.00 0.00 179.45 177.56 2i9s h GLU 32 N -0.75 -0.22 -0.81 1.90 4.57 -1.83 -2.12 114.58 115.31 2i9s h GLU 32 Ca -0.08 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.26 2i9s h GLU 32 Cb 0.58 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.07 2i9s h GLU 32 CO 0.13 0.05 -0.31 1.15 -1.18 0.00 0.00 179.01 178.84 2i9s h THR 33 N -0.49 0.10 0.49 0.32 2.02 -1.71 -0.56 112.91 113.09 2i9s h THR 33 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2i9s h THR 33 Cb 0.38 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2i9s h THR 33 CO 0.04 0.00 -0.24 1.05 0.37 0.00 0.00 175.52 176.74 2i9s h GLU 34 N -0.05 -0.63 0.32 6.66 4.11 0.95 0.58 114.58 126.50 2i9s h GLU 34 Ca 0.33 0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 2i9s h GLU 34 Cb 0.59 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2i9s h GLU 34 CO -0.85 -0.37 -0.20 1.49 0.07 0.00 0.00 179.01 179.15 2i9s h GLU 35 N -0.78 -0.48 -0.67 1.06 4.57 -1.19 -1.59 114.58 115.50 2i9s h GLU 35 Ca -0.07 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2i9s h GLU 35 Cb 0.56 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2i9s h GLU 35 CO 0.11 -0.32 0.19 0.82 -1.18 0.00 0.00 179.01 178.63 2i9s h ILE 36 N -0.50 1.26 -0.27 2.32 2.04 -1.11 -1.20 117.51 120.05 2i9s h ILE 36 Ca -0.03 -0.90 -0.16 0.00 1.00 0.00 0.00 64.86 64.77 2i9s h ILE 36 Cb 0.41 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2i9s h ILE 36 CO 0.03 0.35 -0.48 0.71 0.00 0.00 0.00 178.15 178.76 2i9s h THR 37 N 0.99 1.29 -0.29 -0.27 1.35 0.46 0.62 112.91 117.06 2i9s h THR 37 Ca 0.21 -1.67 -0.02 0.00 -0.55 0.00 0.00 66.41 64.38 2i9s h THR 37 Cb 0.32 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2i9s h THR 37 CO -0.00 0.54 0.11 0.28 -0.25 0.00 0.00 175.52 176.19 2i9s h SER 38 N 0.56 0.41 -0.11 5.36 0.02 -1.13 0.30 113.55 118.96 2i9s h SER 38 Ca 0.03 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 2i9s h SER 38 Cb 1.03 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.47 2i9s h SER 38 CO 0.10 0.48 -0.46 0.25 -1.14 0.00 0.00 176.83 176.06 2i9s h LEU 39 N 0.32 0.60 0.00 5.07 5.85 -0.89 -0.44 115.31 125.82 2i9s h LEU 39 Ca 0.10 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2i9s h LEU 39 Cb 0.20 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2i9s h LEU 39 CO -0.01 1.12 0.00 0.79 -0.34 0.00 0.00 178.44 180.01 2i9s n TRP 40 N -4.27 0.00 0.29 1.25 8.01 0.21 -1.37 117.44 121.57 2i9s n TRP 40 Ca -0.08 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.27 2i9s n TRP 40 Cb 0.57 -0.49 0.53 0.00 -2.01 0.00 0.00 31.31 29.91 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 0.08 -0.99 -0.00 -1.09 0.11 115.11 113.22 2i9s h GLN 41 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 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 -0.04 0.78 -0.00 0.00 0.00 178.83 179.57 2i9s h GLY 42 N 2.66 -0.11 2.00 0.06 0.00 -1.01 -0.29 103.07 106.38 2i9s h GLY 42 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2i9s h GLY 42 CO 0.00 -0.04 -0.43 1.48 0.00 0.00 0.00 176.54 177.55 2i9s h SER 43 N -0.27 0.00 -0.16 0.19 4.64 -0.47 0.16 113.55 117.65 2i9s h SER 43 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2i9s h SER 43 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2i9s h SER 43 CO 0.02 0.43 0.03 -0.07 -0.87 0.00 0.00 176.83 176.37 2i9s h LEU 44 N 0.00 0.32 0.03 5.97 3.38 -0.53 0.16 115.31 124.64 2i9s h LEU 44 Ca -0.00 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 2i9s h LEU 44 Cb 0.81 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2i9s h LEU 44 CO 0.06 0.36 -1.55 0.15 0.09 0.00 0.00 178.44 177.55 2i9s h PHE 45 N 0.35 0.10 -0.01 1.13 3.57 -0.40 -3.22 116.94 118.45 2i9s h PHE 45 Ca 0.08 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2i9s h PHE 45 Cb 0.19 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2i9s h PHE 45 CO 0.00 1.11 -0.35 -0.97 -2.23 0.00 0.00 178.31 175.87 2i9s h ASN 46 N 0.02 0.03 -0.15 0.41 -0.73 -0.08 -1.02 115.58 114.05 2i9s h ASN 46 Ca -0.23 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.93 2i9s h ASN 46 Cb 1.96 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.54 2i9s h ASN 46 CO 0.10 0.38 0.00 0.00 -0.37 0.00 0.00 177.43 177.54 2i9s n ALA 47 N -2.47 2.53 -3.62 1.57 0.00 -0.01 -4.94 120.51 113.56 2i9s n ALA 47 Ca -0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.74 2i9s n ALA 47 Cb 0.40 -1.11 0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 0.17 -2.76 -4.91 0.00 5.15 -0.39 -5.01 115.26 107.52 2i9s n ASN 48 Ca 0.15 -0.70 -0.30 0.00 -0.60 0.00 0.00 54.58 53.13 2i9s n ASN 48 Cb 0.29 -4.56 -0.04 0.00 -0.53 0.00 0.00 39.78 34.93 2i9s n ASN 48 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2i9s s TYR 49 N -3.46 3.48 -0.74 1.20 2.02 -1.22 -5.02 117.35 113.61 2i9s s TYR 49 Ca 0.18 0.51 -0.19 0.00 -0.37 0.00 0.00 57.07 57.20 2i9s s TYR 49 Cb -0.08 -1.98 0.12 0.00 -0.40 0.00 0.00 41.96 39.62 2i9s s TYR 49 CO 0.77 0.39 0.88 0.34 -1.57 0.00 0.00 175.55 176.36 2i9s s ASP 50 N -2.69 6.40 0.13 2.29 2.15 -1.26 -4.83 116.67 118.85 2i9s s ASP 50 Ca 0.41 -1.74 -0.08 0.00 0.43 0.00 0.00 52.55 51.56 2i9s s ASP 50 Cb -0.12 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2i9s s ASP 50 CO 0.26 -1.07 0.23 0.68 -0.17 0.00 0.00 175.17 175.10 2i9s s VAL 51 N 2.51 0.11 -0.13 1.11 -7.23 -1.26 -3.48 120.40 112.03 2i9s s VAL 51 Ca 0.20 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2i9s s VAL 51 Cb -0.15 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.20 2i9s s VAL 51 CO -0.00 -0.48 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.09 2i9s s GLN 52 N -3.92 2.02 -0.03 4.82 1.11 -0.64 -4.95 119.66 118.06 2i9s s GLN 52 Ca 0.12 -0.46 0.04 0.00 0.01 0.00 0.00 55.36 55.07 2i9s s GLN 52 Cb 0.04 -1.88 -0.00 0.00 -1.01 0.00 0.00 33.01 30.16 2i9s s GLN 52 CO -0.05 -0.21 -0.15 1.03 0.01 0.00 0.00 175.29 175.92 2i9s s ARG 53 N 1.44 1.44 0.08 2.91 3.00 -1.26 0.48 118.95 127.04 2i9s s ARG 53 Ca 0.02 -0.53 0.04 0.00 0.00 0.00 0.00 55.73 55.26 2i9s s ARG 53 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 34.95 33.48 2i9s s ARG 53 CO -0.08 0.25 -0.10 -0.06 0.00 0.00 0.00 175.30 175.31 2i9s s PHE 54 N -0.07 0.99 -0.71 -0.53 0.40 -0.70 -4.90 117.98 112.46 2i9s s PHE 54 Ca -0.00 -0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 55.56 2i9s s PHE 54 Cb -0.09 -0.56 0.11 0.00 0.51 0.00 0.00 43.02 42.99 2i9s s PHE 54 CO 0.01 -0.01 0.90 0.42 0.70 0.00 0.00 175.22 177.24 2i9s s ILE 55 N -1.88 4.68 -0.03 0.64 1.01 -1.26 -0.83 121.20 123.52 2i9s s ILE 55 Ca -0.01 -1.02 0.19 0.00 0.00 0.00 0.00 60.65 59.81 2i9s s ILE 55 Cb -0.06 -4.63 -0.29 0.00 0.01 0.00 0.00 42.46 37.49 2i9s s ILE 55 CO 0.01 -1.33 0.40 1.33 0.00 0.00 0.00 174.94 175.34 2i9s n VAL 56 N 5.56 0.07 -3.80 2.92 0.24 -1.16 -5.05 118.33 117.12 2i9s n VAL 56 Ca 0.02 -0.45 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 2i9s n VAL 56 Cb 0.45 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 -4.24 -0.30 -0.21 7.63 0.00 -0.35 -4.96 107.32 104.89 2i9s s GLY 57 Ca -0.07 0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 2i9s s GLY 57 CO 0.78 3.15 1.30 -0.56 0.00 0.00 0.00 173.10 177.77 2i9s s SER 58 N -3.43 6.81 0.00 1.64 0.01 -1.26 -1.24 113.70 116.23 2i9s s SER 58 Ca 0.23 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2i9s s SER 58 Cb 0.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2i9s s SER 58 CO -0.03 -0.90 0.00 -0.67 0.41 0.00 0.00 173.24 172.05 2i9s n ASP 59 N 7.07 -2.30 -3.87 2.44 2.03 -1.21 -4.59 116.55 116.11 2i9s n ASP 59 Ca 0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.19 2i9s n ASP 59 Cb 0.45 -0.38 -0.17 0.00 -0.72 0.00 0.00 41.12 40.30 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2i9s s ARG 60 N -0.00 1.33 0.19 -0.67 6.06 -0.37 -2.14 118.95 123.34 2i9s s ARG 60 Ca 0.00 -0.33 0.04 0.00 -2.50 0.00 0.00 55.73 52.94 2i9s s ARG 60 Cb 0.00 -1.72 -0.05 0.00 0.06 0.00 0.00 34.95 33.25 2i9s s ARG 60 CO 0.00 -0.36 -0.04 0.00 -2.50 0.00 0.00 175.30 172.40 2i9s s ALA 61 N 1.72 1.57 0.08 6.12 0.00 -0.55 -1.21 121.76 129.49 2i9s s ALA 61 Ca 0.03 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.39 2i9s s ALA 61 Cb -0.14 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2i9s s ALA 61 CO -0.08 -0.20 -0.07 0.96 0.00 0.00 0.00 175.76 176.37 2i9s s ILE 62 N -3.43 0.65 -0.23 0.00 -4.36 -0.01 -1.46 121.20 112.36 2i9s s ILE 62 Ca 0.23 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 2i9s s ILE 62 Cb 0.05 -1.40 0.07 0.00 1.25 0.00 0.00 42.46 42.42 2i9s s ILE 62 CO 0.04 -0.75 0.06 0.72 0.24 0.00 0.00 174.94 175.26 2i9s s PHE 63 N -3.04 1.09 -0.32 1.37 -0.71 -0.58 -1.72 117.98 114.06 2i9s s PHE 63 Ca 0.06 -1.04 -0.21 0.00 -1.04 0.00 0.00 56.93 54.71 2i9s s PHE 63 Cb 0.01 -1.15 -0.00 0.00 -1.21 0.00 0.00 43.02 40.67 2i9s s PHE 63 CO -0.03 -0.69 0.64 1.41 -1.34 0.00 0.00 175.22 175.21 2i9s s MET 64 N 1.83 3.82 0.13 1.99 1.75 0.18 -1.17 119.30 127.83 2i9s s MET 64 Ca 0.02 0.23 -0.14 0.00 -1.25 0.00 0.00 55.69 54.55 2i9s s MET 64 Cb -0.17 -3.76 -0.07 0.00 2.84 0.00 0.00 34.83 33.68 2i9s s MET 64 CO -0.14 -0.64 0.53 -0.48 -0.65 0.00 0.00 175.02 173.63 2i9s s LEU 65 N 2.67 4.36 0.01 4.11 2.34 0.09 -1.62 118.68 130.63 2i9s s LEU 65 Ca 0.25 1.05 -0.01 0.00 0.06 0.00 0.00 54.13 55.48 2i9s s LEU 65 Cb -0.15 -3.19 -0.01 0.00 -0.56 0.00 0.00 46.19 42.28 2i9s s LEU 65 CO 0.13 0.13 -0.03 -1.14 -1.06 0.00 0.00 176.35 174.37 2i9s n ARG 66 N 0.90 0.05 0.33 1.48 0.00 -1.23 -1.61 116.66 116.59 2i9s n ARG 66 Ca -0.06 0.02 0.04 0.00 -0.00 0.00 0.00 57.85 57.86 2i9s n ARG 66 Cb 0.52 -0.59 0.24 0.00 0.00 0.00 0.00 32.46 32.63 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2i9s h ASP 67 N -0.10 0.00 0.00 6.15 3.58 -1.82 -3.39 116.42 120.84 2i9s h ASP 67 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2i9s h ASP 67 Cb 0.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2i9s h ASP 67 CO -0.03 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 2i9s n GLY 68 N -1.41 2.79 2.64 -0.78 0.00 -1.23 -4.54 105.19 102.67 2i9s n GLY 68 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.48 1.91 0.00 1.61 7.64 -1.26 -3.98 113.62 120.02 2i9s n SER 69 Ca 0.00 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.09 2i9s n SER 69 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.17 0.00 0.06 1.43 4.11 -1.26 -5.02 117.16 116.32 2i9s n TYR 70 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.81 2i9s n TYR 70 Cb 0.80 0.04 -0.15 0.00 -0.00 0.00 0.00 39.34 40.03 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 0.22 0.00 -3.48 0.00 -1.99 -3.11 119.26 110.90 2i9s h ALA 71 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2i9s h ALA 71 Cb 0.48 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2i9s h ALA 71 CO 0.00 1.09 -0.07 0.91 0.00 0.00 0.00 179.25 181.19 2i9s n TRP 72 N -3.55 0.77 -0.00 0.00 8.01 -1.26 -0.52 117.44 120.89 2i9s n TRP 72 Ca -0.25 0.22 -0.11 0.00 -1.31 0.00 0.00 57.50 56.06 2i9s n TRP 72 Cb 1.07 -0.85 0.02 0.00 -2.01 0.00 0.00 31.31 29.54 2i9s n TRP 72 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 2i9s h GLU 73 N 0.00 0.60 -0.76 -0.99 3.07 -1.98 -1.90 114.58 112.63 2i9s h GLU 73 Ca 0.00 -0.41 0.05 0.00 -0.50 0.00 0.00 59.36 58.50 2i9s h GLU 73 Cb 0.71 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.62 2i9s h GLU 73 CO 0.00 1.03 0.46 0.82 -1.40 0.00 0.00 179.01 179.92 2i9s h ILE 74 N 0.45 1.04 -0.26 3.13 2.04 -0.73 -0.90 117.51 122.28 2i9s h ILE 74 Ca -0.00 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.62 2i9s h ILE 74 Cb 1.17 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 2i9s h ILE 74 CO 0.12 0.16 -0.20 0.50 0.00 0.00 0.00 178.15 178.72 2i9s h LYS 75 N 0.86 -0.19 -0.59 2.37 3.64 -0.63 0.18 116.57 122.21 2i9s h LYS 75 Ca 0.32 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 2i9s h LYS 75 Cb 0.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2i9s h LYS 75 CO -0.15 -0.12 0.39 0.22 -2.27 0.00 0.00 179.45 177.52 2i9s h ASP 76 N -0.19 0.53 0.23 4.20 3.58 -0.49 -1.94 116.42 122.34 2i9s h ASP 76 Ca 0.14 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2i9s h ASP 76 Cb 0.41 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2i9s h ASP 76 CO -0.38 0.35 -0.11 -0.26 -2.88 0.00 0.00 179.24 175.96 2i9s h PHE 77 N 0.61 -0.29 -0.26 0.28 0.04 0.63 -1.65 116.94 116.30 2i9s h PHE 77 Ca 0.25 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.90 2i9s h PHE 77 Cb 0.22 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2i9s h PHE 77 CO -0.00 -0.02 -0.33 1.37 -0.60 0.00 0.00 178.31 178.74 2i9s h LEU 78 N -1.01 0.57 -0.27 1.54 -0.00 -1.29 0.93 115.31 115.77 2i9s h LEU 78 Ca -0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2i9s h LEU 78 Cb 0.40 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2i9s h LEU 78 CO 0.05 0.86 0.00 -0.37 -0.00 0.00 0.00 178.44 178.99 2i9s h VAL 79 N 0.47 0.00 -0.33 0.15 -1.51 -1.40 0.22 116.25 113.85 2i9s h VAL 79 Ca 0.05 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 2i9s h VAL 79 Cb 0.80 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2i9s h VAL 79 CO 0.07 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.21 2i9s n SER 80 N -3.10 2.71 -0.00 4.19 7.64 -0.62 -3.98 113.62 120.46 2i9s n SER 80 Ca 0.03 -1.90 -0.22 0.00 1.01 0.00 0.00 58.87 57.80 2i9s n SER 80 Cb 0.49 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 3.44 0.24 0.00 1.43 5.75 0.41 -3.48 115.11 122.90 2i9s h GLN 81 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2i9s h GLN 81 Cb 0.76 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.47 2i9s h GLN 81 CO 0.00 1.20 0.00 -3.47 -2.65 0.00 0.00 178.83 173.91 2i9s n ASP 82 N -3.69 0.00 -4.76 -0.69 2.03 -0.78 -5.05 116.55 103.61 2i9s n ASP 82 Ca -0.30 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.78 2i9s n ASP 82 Cb 0.98 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.33 2i9s n ASP 82 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i9s s ARG 83 N 0.00 2.45 -0.09 -0.67 1.81 -1.26 -5.02 118.95 116.17 2i9s s ARG 83 Ca 0.00 -1.50 -0.30 0.00 -1.72 0.00 0.00 55.73 52.21 2i9s s ARG 83 Cb 0.00 -2.24 0.07 0.00 -0.45 0.00 0.00 34.95 32.33 2i9s s ARG 83 CO 0.00 0.09 0.68 0.00 -0.68 0.00 0.00 175.30 175.39 2i9s n ALA 85 N 1.23 0.00 -3.66 0.00 0.00 -1.18 -1.86 120.51 115.04 2i9s n ALA 85 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 2i9s n ALA 85 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 0.45 -0.37 0.00 2.12 -0.44 -4.98 118.70 113.48 2i9s s GLU 86 Ca 0.00 1.12 -0.04 0.00 0.36 0.00 0.00 54.97 56.41 2i9s s GLU 86 Cb 0.00 0.38 0.08 0.00 0.26 0.00 0.00 34.13 34.85 2i9s s GLU 86 CO 0.00 -0.21 0.15 0.08 -0.54 0.00 0.00 175.26 174.74 2i9s s VAL 87 N 2.33 3.43 0.08 3.70 1.01 -1.26 0.39 120.40 130.08 2i9s s VAL 87 Ca -0.05 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.33 2i9s s VAL 87 Cb -0.10 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2i9s s VAL 87 CO -0.15 -0.45 -0.12 0.42 0.00 0.00 0.00 175.10 174.80 2i9s s THR 88 N 1.25 3.27 0.06 3.92 -4.23 -0.16 -4.58 115.64 115.16 2i9s s THR 88 Ca 0.03 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2i9s s THR 88 Cb -0.22 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2i9s s THR 88 CO -0.02 0.19 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.44 2i9s s LEU 89 N -1.97 2.42 0.59 4.79 1.43 -1.26 -1.78 118.68 122.90 2i9s s LEU 89 Ca 0.19 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 2i9s s LEU 89 Cb -0.11 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2i9s s LEU 89 CO 0.11 -0.43 0.98 -0.70 0.23 0.00 0.00 176.35 176.54 2i9s s GLU 90 N -3.09 3.57 0.00 1.70 2.12 -1.26 -4.83 118.70 116.91 2i9s s GLU 90 Ca 0.02 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.98 2i9s s GLU 90 Cb 0.01 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.26 2i9s s GLU 90 CO -0.05 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 2i9s n GLY 91 N -2.65 3.89 3.62 -1.50 0.00 -1.26 -4.82 105.19 102.47 2i9s n GLY 91 Ca 0.05 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.75 3.89 -0.24 1.61 1.11 -1.26 -3.87 119.66 117.15 2i9s s GLN 92 Ca 0.00 0.90 -0.06 0.00 0.01 0.00 0.00 55.36 56.21 2i9s s GLN 92 Cb 0.00 -3.84 0.01 0.00 -1.01 0.00 0.00 33.01 28.17 2i9s s GLN 92 CO 0.00 -1.15 0.21 -0.12 0.01 0.00 0.00 175.29 174.24 2i9s n MET 93 N 7.37 -1.83 -3.58 2.91 0.00 -1.26 -5.01 117.12 115.72 2i9s n MET 93 Ca 0.13 1.72 -0.41 0.00 -0.00 0.00 0.00 57.70 59.14 2i9s n MET 93 Cb 0.48 -4.00 -0.10 0.00 0.00 0.00 0.00 33.22 29.60 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 -1.59 3.30 -1.90 1.12 5.04 -1.25 -4.95 117.35 117.12 2i9s s TYR 94 Ca 0.09 -1.30 0.18 0.00 -2.44 0.00 0.00 57.07 53.60 2i9s s TYR 94 Cb -0.02 -2.83 0.54 0.00 0.35 0.00 0.00 41.96 40.00 2i9s s TYR 94 CO 0.49 -0.79 1.45 -0.35 -1.34 0.00 0.00 175.55 175.02 2i9s n PRO 95 N 4.97 2.52 -1.15 4.97 -0.04 -1.26 -4.34 135.00 140.67 2i9s n PRO 95 Ca -0.11 -2.20 -0.27 0.00 -0.04 0.00 0.00 63.50 60.88 2i9s n PRO 95 Cb 0.44 -1.51 0.09 0.00 -0.04 0.00 0.00 33.50 32.47 2i9s n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i9s n GLY 96 N 1.40 5.00 0.88 0.55 0.00 -1.26 -4.70 105.19 107.06 2i9s n GLY 96 Ca 0.20 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.67 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49