#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 -0.37 0.00 1.61 0.11 -2.02 -3.47 132.00 127.87 2i9s h PRO 2 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2i9s h PRO 2 Cb 0.00 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2i9s h PRO 2 CO 0.00 -0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.14 2i9s n GLY 3 N -0.38 1.71 3.44 -0.55 0.00 -1.26 -4.82 105.19 103.33 2i9s n GLY 3 Ca -0.09 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 2.38 0.81 1.61 2.20 -1.26 -5.13 119.74 120.36 2i9s s LYS 4 Ca 0.00 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 2i9s s LYS 4 Cb 0.00 -2.29 0.08 0.00 -1.51 0.00 0.00 37.83 34.11 2i9s s LYS 4 CO 0.00 0.60 1.11 -1.25 -0.36 0.00 0.00 175.35 175.45 2i9s s PRO 5 N -0.74 1.97 0.00 4.03 0.04 -1.26 -4.05 135.00 134.99 2i9s s PRO 5 Ca 0.11 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2i9s s PRO 5 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2i9s s PRO 5 CO 0.00 -1.68 0.00 0.39 0.04 0.00 0.00 177.00 175.75 2i9s n GLU 6 N -3.46 0.00 -0.15 4.56 1.02 -1.26 -4.94 120.64 116.41 2i9s n GLU 6 Ca 0.07 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.16 2i9s n GLU 6 Cb 0.57 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 2i9s n GLU 6 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2i9s h SER 7 N 0.00 0.57 -0.54 1.62 4.64 -1.95 -0.60 113.55 117.29 2i9s h SER 7 Ca 0.00 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 2i9s h SER 7 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2i9s h SER 7 CO 0.00 0.51 0.11 0.16 -0.87 0.00 0.00 176.83 176.74 2i9s h ILE 8 N 0.58 1.24 -0.06 0.95 3.07 -1.92 0.51 117.51 121.90 2i9s h ILE 8 Ca 0.16 -0.93 -0.05 0.00 1.55 0.00 0.00 64.86 65.59 2i9s h ILE 8 Cb 0.08 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 2i9s h ILE 8 CO -0.02 0.34 -0.15 0.25 -1.05 0.00 0.00 178.15 177.52 2i9s h LEU 9 N 0.89 0.23 -0.03 0.16 5.85 -1.80 -1.15 115.31 119.45 2i9s h LEU 9 Ca 0.18 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2i9s h LEU 9 Cb 0.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2i9s h LEU 9 CO 0.01 0.79 -0.33 2.29 -0.34 0.00 0.00 178.44 180.85 2i9s n LYS 10 N -4.61 0.07 0.10 1.25 2.85 -0.27 -1.48 118.16 116.07 2i9s n LYS 10 Ca -0.08 -0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.00 2i9s n LYS 10 Cb 0.39 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 2i9s n LYS 10 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2i9s h MET 11 N 0.08 0.26 0.00 -1.58 4.05 -0.75 -3.38 114.93 113.61 2i9s h MET 11 Ca 0.00 -0.42 -0.06 0.00 -0.28 0.00 0.00 59.70 58.95 2i9s h MET 11 Cb 0.49 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 2i9s h MET 11 CO 0.00 1.18 -0.32 1.15 0.23 0.00 0.00 176.91 179.16 2i9s h THR 12 N 0.08 1.35 0.00 -0.77 2.02 -1.08 -3.50 112.91 111.01 2i9s h THR 12 Ca -0.12 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2i9s h THR 12 Cb 1.91 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.98 2i9s h THR 12 CO 0.19 0.46 0.00 2.29 0.37 0.00 0.00 175.52 178.83 2i9s n LYS 13 N -4.58 0.00 -1.64 6.66 2.85 -0.55 -5.11 118.16 115.79 2i9s n LYS 13 Ca -0.14 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.97 2i9s n LYS 13 Cb 0.47 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.94 2i9s n LYS 13 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2i9s n LYS 14 N -0.33 -0.06 -4.16 -1.58 5.02 -1.26 -4.35 118.16 111.45 2i9s n LYS 14 Ca 0.00 -1.55 -0.35 0.00 -2.02 0.00 0.00 58.31 54.40 2i9s n LYS 14 Cb 0.00 -0.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 2i9s n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i9s n GLY 15 N 0.21 -0.44 3.31 0.72 0.00 -0.07 -4.92 105.19 103.99 2i9s n GLY 15 Ca 0.10 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.86 3.05 -0.05 1.61 2.47 -1.04 -4.81 119.74 114.12 2i9s s LYS 16 Ca 0.69 -0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 2i9s s LYS 16 Cb -0.37 -2.42 -0.05 0.00 -1.46 0.00 0.00 37.83 33.53 2i9s s LYS 16 CO 0.91 0.27 1.56 0.99 0.16 0.00 0.00 175.35 179.24 2i9s s THR 17 N 0.15 3.64 -0.13 3.43 2.01 -1.22 -3.24 115.64 120.28 2i9s s THR 17 Ca -0.10 0.86 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 2i9s s THR 17 Cb -0.16 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.84 2i9s s THR 17 CO 0.06 -0.05 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.71 2i9s s LEU 18 N 3.53 0.98 -0.04 4.42 1.98 -0.16 -4.69 118.68 124.70 2i9s s LEU 18 Ca 0.69 -0.40 0.04 0.00 -2.89 0.00 0.00 54.13 51.57 2i9s s LEU 18 Cb -0.32 -0.60 -0.03 0.00 0.66 0.00 0.00 46.19 45.90 2i9s s LEU 18 CO 0.27 -0.21 -0.13 0.00 -1.89 0.00 0.00 176.35 174.39 2i9s s MET 19 N 1.86 2.49 -0.13 1.98 0.23 -1.26 -1.60 119.30 122.87 2i9s s MET 19 Ca 0.03 -0.71 0.02 0.00 -1.03 0.00 0.00 55.69 54.00 2i9s s MET 19 Cb -0.14 -2.40 0.00 0.00 -1.53 0.00 0.00 34.83 30.77 2i9s s MET 19 CO -0.07 0.62 -0.21 -1.64 -2.03 0.00 0.00 175.02 171.70 2i9s s MET 20 N -0.89 3.11 -0.25 3.16 -1.94 -0.57 -1.40 119.30 120.52 2i9s s MET 20 Ca 0.13 -0.83 -0.12 0.00 -1.71 0.00 0.00 55.69 53.16 2i9s s MET 20 Cb -0.11 -2.44 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 2i9s s MET 20 CO 0.02 0.09 0.22 -0.59 -0.01 0.00 0.00 175.02 174.74 2i9s s PHE 21 N 0.59 3.29 -0.19 -0.03 -0.12 -0.69 -1.55 117.98 119.29 2i9s s PHE 21 Ca -0.11 0.27 -0.02 0.00 -0.05 0.00 0.00 56.93 57.02 2i9s s PHE 21 Cb -0.16 -2.36 -0.00 0.00 -0.63 0.00 0.00 43.02 39.87 2i9s s PHE 21 CO 0.03 -0.02 -0.11 0.54 -0.05 0.00 0.00 175.22 175.61 2i9s s VAL 22 N 1.35 2.90 0.18 -2.49 0.11 0.13 -1.54 120.40 121.03 2i9s s VAL 22 Ca 0.10 -0.67 -0.30 0.00 -2.93 0.00 0.00 61.98 58.18 2i9s s VAL 22 Cb -0.14 -2.27 -0.08 0.00 -1.53 0.00 0.00 36.38 32.36 2i9s s VAL 22 CO 0.07 0.48 1.11 -0.89 -3.33 0.00 0.00 175.10 172.54 2i9s s THR 23 N 1.18 3.84 -0.11 5.04 2.01 0.11 -0.39 115.64 127.33 2i9s s THR 23 Ca 0.02 1.59 0.03 0.00 0.31 0.00 0.00 61.69 63.64 2i9s s THR 23 Cb -0.14 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2i9s s THR 23 CO -0.04 0.27 -0.21 0.54 -0.69 0.00 0.00 174.62 174.49 2i9s s VAL 24 N -0.23 1.90 0.00 3.82 0.11 0.84 -1.01 120.40 125.83 2i9s s VAL 24 Ca 0.50 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2i9s s VAL 24 Cb -0.30 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2i9s s VAL 24 CO 0.35 0.52 0.00 -0.24 -3.33 0.00 0.00 175.10 172.40 2i9s n SER 25 N 3.82 0.00 0.00 3.54 2.88 -1.18 -3.36 113.62 119.32 2i9s n SER 25 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2i9s n SER 25 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 1.63 3.60 0.46 0.00 -1.26 -4.67 105.19 104.95 2i9s n GLY 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.39 6.19 -0.09 1.61 3.84 -1.21 -4.88 114.94 119.01 2i9s s ASN 27 Ca 0.00 1.02 0.03 0.00 0.21 0.00 0.00 52.86 54.12 2i9s s ASN 27 Cb 0.00 -2.53 0.22 0.00 -0.55 0.00 0.00 41.25 38.39 2i9s s ASN 27 CO 0.00 -1.52 1.01 -0.81 -2.79 0.00 0.00 177.10 172.99 2i9s n PRO 28 N 8.18 1.84 -2.25 0.43 -0.04 -1.26 -4.15 135.00 137.76 2i9s n PRO 28 Ca 0.19 -0.89 -0.03 0.00 -0.04 0.00 0.00 63.50 62.73 2i9s n PRO 28 Cb 0.47 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.12 0.00 0.67 0.52 -2.24 -1.26 -4.72 114.28 107.37 2i9s n THR 29 Ca 0.11 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 2i9s n THR 29 Cb 0.64 0.06 0.21 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.11 1.99 0.15 -0.78 2.13 -1.26 -2.30 120.64 120.46 2i9s n GLU 30 Ca -0.02 -1.54 -0.13 0.00 0.66 0.00 0.00 57.16 56.14 2i9s n GLU 30 Cb 0.06 -1.34 -0.08 0.00 0.27 0.00 0.00 31.44 30.35 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 2.55 -0.39 -0.43 5.31 3.11 -1.95 0.40 116.57 125.17 2i9s h LYS 31 Ca 0.00 0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.72 2i9s h LYS 31 Cb 0.58 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 2i9s h LYS 31 CO 0.00 -0.06 -0.30 1.49 -2.81 0.00 0.00 179.45 177.77 2i9s h GLU 32 N -0.78 0.96 -0.44 1.90 4.57 -1.85 -1.50 114.58 117.44 2i9s h GLU 32 Ca -0.04 -0.46 0.08 0.00 -1.18 0.00 0.00 59.36 57.75 2i9s h GLU 32 Cb 0.51 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.00 2i9s h GLU 32 CO 0.07 1.13 -0.41 1.15 -1.18 0.00 0.00 179.01 179.76 2i9s h THR 33 N 0.80 0.13 -0.08 0.32 2.02 -1.73 -1.35 112.91 113.03 2i9s h THR 33 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2i9s h THR 33 Cb 0.89 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2i9s h THR 33 CO 0.08 0.00 0.03 1.05 0.37 0.00 0.00 175.52 177.06 2i9s h GLU 34 N -0.29 0.12 -0.20 6.66 4.11 0.18 0.30 114.58 125.46 2i9s h GLU 34 Ca 0.15 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.61 2i9s h GLU 34 Cb 0.57 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2i9s h GLU 34 CO -0.59 0.22 -0.49 1.49 0.07 0.00 0.00 179.01 179.71 2i9s h GLU 35 N -0.01 -0.48 -0.16 1.06 4.57 -1.10 -1.57 114.58 116.89 2i9s h GLU 35 Ca 0.03 0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 2i9s h GLU 35 Cb 0.14 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2i9s h GLU 35 CO -0.00 -0.32 -0.43 0.82 -1.18 0.00 0.00 179.01 177.89 2i9s h ILE 36 N -0.50 1.34 -0.10 2.32 2.04 -1.18 -1.52 117.51 119.92 2i9s h ILE 36 Ca 0.07 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 2i9s h ILE 36 Cb 0.64 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2i9s h ILE 36 CO -0.46 0.52 0.03 0.71 0.00 0.00 0.00 178.15 178.95 2i9s h THR 37 N 0.21 1.16 0.58 -0.27 1.35 -0.16 0.33 112.91 116.12 2i9s h THR 37 Ca -0.01 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 65.32 2i9s h THR 37 Cb 1.05 1.32 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 2i9s h THR 37 CO 0.09 0.14 -0.28 0.77 -0.25 0.00 0.00 175.52 176.00 2i9s h SER 38 N -0.02 -0.66 -0.27 5.36 4.64 -1.34 -0.14 113.55 121.12 2i9s h SER 38 Ca 0.03 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2i9s h SER 38 Cb 0.20 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2i9s h SER 38 CO -0.00 -0.41 0.11 0.25 -0.87 0.00 0.00 176.83 175.91 2i9s h LEU 39 N -0.91 0.37 0.25 5.97 5.85 -1.32 -0.99 115.31 124.52 2i9s h LEU 39 Ca -0.08 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2i9s h LEU 39 Cb 0.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2i9s h LEU 39 CO 0.13 0.43 -0.12 -0.50 -0.34 0.00 0.00 178.44 178.04 2i9s h TRP 40 N 0.28 -0.31 0.00 1.25 4.06 -0.43 -1.58 115.95 119.22 2i9s h TRP 40 Ca 0.09 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 2i9s h TRP 40 Cb 0.17 0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 2i9s h TRP 40 CO -0.01 -0.17 -0.13 -0.56 -3.56 0.00 0.00 178.44 174.01 2i9s h GLN 41 N -1.08 0.00 0.36 0.49 -0.00 -0.95 1.08 115.11 115.00 2i9s h GLN 41 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2i9s h GLN 41 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2i9s h GLN 41 CO 0.06 0.13 -0.17 0.78 -0.00 0.00 0.00 178.83 179.62 2i9s h GLY 42 N 0.79 -0.50 2.00 0.06 0.00 -1.23 -0.97 103.07 103.22 2i9s h GLY 42 Ca -0.00 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2i9s h GLY 42 CO 0.02 -0.18 -0.46 1.48 0.00 0.00 0.00 176.54 177.39 2i9s h SER 43 N -0.54 0.00 -0.45 0.19 4.64 0.15 0.36 113.55 117.91 2i9s h SER 43 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2i9s h SER 43 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2i9s h SER 43 CO 0.08 0.46 0.25 -0.07 -0.87 0.00 0.00 176.83 176.68 2i9s h LEU 44 N 0.00 0.59 0.00 5.97 3.38 0.13 0.11 115.31 125.48 2i9s h LEU 44 Ca -0.00 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 2i9s h LEU 44 Cb 0.90 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2i9s h LEU 44 CO 0.06 0.49 -1.53 0.15 0.09 0.00 0.00 178.44 177.69 2i9s h PHE 45 N 0.67 0.01 0.00 1.13 3.57 -0.79 -3.15 116.94 118.37 2i9s h PHE 45 Ca 0.17 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2i9s h PHE 45 Cb 0.04 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2i9s h PHE 45 CO 0.00 1.01 -0.35 -0.97 -2.23 0.00 0.00 178.31 175.78 2i9s h ASN 46 N 0.00 0.00 -0.03 0.41 -0.73 -0.15 -0.70 115.58 114.39 2i9s h ASN 46 Ca -0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2i9s h ASN 46 Cb 1.95 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.54 2i9s h ASN 46 CO 0.09 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.50 2i9s n ALA 47 N -2.37 2.60 -2.99 1.57 0.00 0.30 -4.93 120.51 114.69 2i9s n ALA 47 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 2i9s n ALA 47 Cb 0.43 -1.27 0.03 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 -0.24 -6.11 0.00 0.00 4.05 -0.27 -4.92 115.26 107.78 2i9s n ASN 48 Ca 0.20 -0.28 0.04 0.00 0.45 0.00 0.00 54.58 54.99 2i9s n ASN 48 Cb 0.25 -4.92 0.24 0.00 1.23 0.00 0.00 39.78 36.58 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2i9s n TYR 49 N -4.50 0.00 -3.03 1.20 4.01 -1.19 -4.89 117.16 108.75 2i9s n TYR 49 Ca -0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.61 2i9s n TYR 49 Cb 0.62 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.12 -7.79 -3.47 7.72 2.03 -1.26 -4.77 116.55 107.89 2i9s n ASP 50 Ca 0.06 0.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.25 2i9s n ASP 50 Cb 0.05 -5.28 -0.05 0.00 -0.72 0.00 0.00 41.12 35.12 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 -2.93 0.00 -0.03 5.18 -7.23 -1.26 -3.54 120.40 110.59 2i9s s VAL 51 Ca 0.04 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2i9s s VAL 51 Cb -0.01 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2i9s s VAL 51 CO 0.76 0.00 -0.03 -1.10 -0.31 0.00 0.00 175.10 174.41 2i9s s GLN 52 N -3.34 0.53 -0.02 4.82 -0.21 -0.45 -5.00 119.66 116.00 2i9s s GLN 52 Ca 0.30 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.61 2i9s s GLN 52 Cb 0.00 -0.58 0.01 0.00 1.00 0.00 0.00 33.01 33.44 2i9s s GLN 52 CO 0.18 -0.03 -0.02 1.03 -2.12 0.00 0.00 175.29 174.33 2i9s s ARG 53 N 0.58 0.32 0.06 2.91 3.00 -1.26 0.39 118.95 124.95 2i9s s ARG 53 Ca -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 55.73 55.65 2i9s s ARG 53 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 34.95 34.44 2i9s s ARG 53 CO -0.00 -0.02 -0.09 0.12 0.00 0.00 0.00 175.30 175.30 2i9s s PHE 54 N 0.41 0.87 -0.76 -0.53 5.36 -0.83 -4.91 117.98 117.60 2i9s s PHE 54 Ca -0.04 -0.55 -0.21 0.00 -0.96 0.00 0.00 56.93 55.18 2i9s s PHE 54 Cb -0.07 -0.50 0.10 0.00 -0.34 0.00 0.00 43.02 42.21 2i9s s PHE 54 CO -0.01 -0.05 0.99 0.42 -1.46 0.00 0.00 175.22 175.12 2i9s s ILE 55 N -1.69 4.54 -0.13 3.12 1.01 -1.26 -0.73 121.20 126.07 2i9s s ILE 55 Ca -0.04 -0.91 0.18 0.00 0.00 0.00 0.00 60.65 59.88 2i9s s ILE 55 Cb -0.08 -4.70 -0.20 0.00 0.01 0.00 0.00 42.46 37.49 2i9s s ILE 55 CO 0.00 -1.44 0.57 0.55 0.00 0.00 0.00 174.94 174.63 2i9s n VAL 56 N 5.71 0.97 -3.73 2.92 3.14 -1.12 -5.04 118.33 121.18 2i9s n VAL 56 Ca 0.06 -0.69 0.04 0.00 -2.96 0.00 0.00 64.34 60.79 2i9s n VAL 56 Cb 0.46 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 2i9s n VAL 56 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2i9s s GLY 57 N -4.89 -0.40 -0.16 7.55 0.00 -0.08 -4.97 107.32 104.36 2i9s s GLY 57 Ca -0.06 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.04 2i9s s GLY 57 CO 0.84 2.59 1.52 -0.56 0.00 0.00 0.00 173.10 177.49 2i9s s SER 58 N -3.35 6.64 0.00 1.64 0.01 -1.26 -1.12 113.70 116.26 2i9s s SER 58 Ca 0.21 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.29 2i9s s SER 58 Cb 0.05 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.75 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 7.48 -2.62 -3.68 2.44 2.03 -0.97 -4.72 116.55 116.50 2i9s n ASP 59 Ca 0.17 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.26 2i9s n ASP 59 Cb 0.44 -0.44 -0.18 0.00 -0.72 0.00 0.00 41.12 40.23 2i9s n ASP 59 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i9s s ARG 60 N -0.12 0.13 0.35 -0.67 3.00 -0.28 -0.11 118.95 121.25 2i9s s ARG 60 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 55.73 56.00 2i9s s ARG 60 Cb 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 34.95 33.97 2i9s s ARG 60 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 175.30 174.90 2i9s s ALA 61 N 2.11 2.74 0.06 2.13 0.00 0.48 -0.91 121.76 128.37 2i9s s ALA 61 Ca 0.04 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2i9s s ALA 61 Cb -0.13 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2i9s s ALA 61 CO -0.05 -0.15 -0.05 0.96 0.00 0.00 0.00 175.76 176.48 2i9s s ILE 62 N -2.94 0.41 -0.28 0.00 -4.36 0.09 0.18 121.20 114.30 2i9s s ILE 62 Ca 0.34 -1.64 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2i9s s ILE 62 Cb 0.08 -1.30 0.09 0.00 1.25 0.00 0.00 42.46 42.58 2i9s s ILE 62 CO 0.16 -0.81 0.07 0.72 0.24 0.00 0.00 174.94 175.31 2i9s s PHE 63 N -3.18 1.81 -0.30 1.37 -0.71 -0.59 -1.96 117.98 114.42 2i9s s PHE 63 Ca 0.04 -1.67 -0.22 0.00 -1.04 0.00 0.00 56.93 54.03 2i9s s PHE 63 Cb 0.02 -1.66 -0.00 0.00 -1.21 0.00 0.00 43.02 40.17 2i9s s PHE 63 CO -0.06 -0.82 0.73 1.41 -1.34 0.00 0.00 175.22 175.14 2i9s s MET 64 N 1.58 3.94 0.10 1.99 1.75 0.16 -1.51 119.30 127.32 2i9s s MET 64 Ca 0.06 0.48 0.10 0.00 -1.25 0.00 0.00 55.69 55.08 2i9s s MET 64 Cb -0.18 -3.73 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 2i9s s MET 64 CO -0.19 -0.64 -0.26 -0.48 -0.65 0.00 0.00 175.02 172.81 2i9s s LEU 65 N 2.82 2.27 -0.03 4.11 -0.00 -0.62 -1.35 118.68 125.89 2i9s s LEU 65 Ca 0.30 -0.69 -0.06 0.00 -0.00 0.00 0.00 54.13 53.67 2i9s s LEU 65 Cb -0.14 -1.17 -0.03 0.00 -0.00 0.00 0.00 46.19 44.85 2i9s s LEU 65 CO 0.12 0.18 -0.13 -1.14 -0.00 0.00 0.00 176.35 175.38 2i9s n ARG 66 N 1.18 0.20 0.13 1.48 0.63 -1.23 -0.99 116.66 118.06 2i9s n ARG 66 Ca -0.18 0.08 0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2i9s n ARG 66 Cb 0.53 -0.85 0.24 0.00 0.45 0.00 0.00 32.46 32.83 2i9s n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2i9s n ASP 67 N -3.74 0.23 -2.33 6.15 9.92 -1.26 -2.49 116.55 123.03 2i9s n ASP 67 Ca -0.09 0.46 -0.19 0.00 -0.53 0.00 0.00 54.79 54.43 2i9s n ASP 67 Cb 0.32 -0.39 -0.02 0.00 -0.64 0.00 0.00 41.12 40.39 2i9s n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2i9s n GLY 68 N -1.27 -0.30 2.71 0.44 0.00 -1.20 -0.89 105.19 104.69 2i9s n GLY 68 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.90 -0.39 0.00 1.61 7.64 -1.26 -4.46 113.62 114.86 2i9s n SER 69 Ca -0.22 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2i9s n SER 69 Cb 0.67 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 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 -0.83 0.00 -0.11 1.43 4.11 -1.26 -5.04 117.16 115.46 2i9s n TYR 70 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.73 2i9s n TYR 70 Cb 0.84 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 40.04 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 0.00 1.48 1.02 -3.48 0.00 -1.26 -4.01 120.51 114.26 2i9s n ALA 71 Ca 0.00 -1.24 0.12 0.00 0.00 0.00 0.00 53.44 52.32 2i9s n ALA 71 Cb 0.00 -0.15 0.29 0.00 0.00 0.00 0.00 19.45 19.59 2i9s n ALA 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2i9s n TRP 72 N -2.95 0.00 0.17 0.00 8.01 -1.26 -0.52 117.44 120.90 2i9s n TRP 72 Ca -0.38 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 55.85 2i9s n TRP 72 Cb 1.09 -0.26 0.28 0.00 -2.01 0.00 0.00 31.31 30.41 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 0.08 0.00 -0.56 -0.99 5.08 -1.95 -1.61 114.58 114.63 2i9s h GLU 73 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2i9s h GLU 73 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2i9s h GLU 73 CO 0.00 0.43 0.06 0.82 -1.00 0.00 0.00 179.01 179.33 2i9s h ILE 74 N 0.00 1.25 -0.88 3.13 2.04 -0.94 -1.45 117.51 120.67 2i9s h ILE 74 Ca -0.00 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.93 2i9s h ILE 74 Cb 0.99 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 2i9s h ILE 74 CO 0.06 0.36 0.56 0.50 0.00 0.00 0.00 178.15 179.62 2i9s h LYS 75 N 0.86 1.01 -0.57 2.37 3.64 -0.56 0.19 116.57 123.50 2i9s h LYS 75 Ca 0.17 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2i9s h LYS 75 Cb 0.42 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2i9s h LYS 75 CO 0.01 0.67 0.32 0.22 -2.27 0.00 0.00 179.45 178.39 2i9s h ASP 76 N 1.04 0.49 0.13 4.20 3.58 -0.77 -1.35 116.42 123.73 2i9s h ASP 76 Ca 0.37 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 2i9s h ASP 76 Cb 0.11 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2i9s h ASP 76 CO -0.15 0.33 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.20 2i9s h PHE 77 N 0.61 0.00 0.58 0.28 0.04 0.03 0.21 116.94 118.69 2i9s h PHE 77 Ca 0.24 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 2i9s h PHE 77 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2i9s h PHE 77 CO -0.08 0.08 -0.48 -0.07 -0.60 0.00 0.00 178.31 177.17 2i9s h LEU 78 N 0.00 -1.27 0.00 1.54 3.38 -0.01 0.65 115.31 119.59 2i9s h LEU 78 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2i9s h LEU 78 Cb 0.17 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2i9s h LEU 78 CO 0.01 -0.67 0.00 1.33 0.09 0.00 0.00 178.44 179.20 2i9s n VAL 79 N -5.57 0.13 0.62 1.22 0.24 -0.90 -0.19 118.33 113.88 2i9s n VAL 79 Ca -0.13 0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.33 2i9s n VAL 79 Cb 0.46 -0.61 0.18 0.00 -1.47 0.00 0.00 33.84 32.40 2i9s n VAL 79 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2i9s n SER 80 N -1.22 0.67 -0.03 -1.34 2.88 0.69 -4.12 113.62 111.14 2i9s n SER 80 Ca 0.14 0.08 -0.22 0.00 -1.33 0.00 0.00 58.87 57.54 2i9s n SER 80 Cb 0.18 0.18 -0.13 0.00 -0.75 0.00 0.00 64.21 63.69 2i9s n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i9s n GLN 81 N -2.03 0.69 0.00 -1.46 1.13 0.22 -5.00 117.38 110.93 2i9s n GLN 81 Ca 0.03 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2i9s n GLN 81 Cb 0.43 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2i9s n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2i9s n ASP 82 N -3.80 0.00 -4.22 1.08 2.03 -0.75 -5.10 116.55 105.79 2i9s n ASP 82 Ca -0.33 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.76 2i9s n ASP 82 Cb 0.93 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.20 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 1.08 0.19 -0.67 0.52 -1.26 -4.69 118.95 114.12 2i9s s ARG 83 Ca 0.00 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 2i9s s ARG 83 Cb 0.00 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 34.22 2i9s s ARG 83 CO 0.00 0.29 -0.01 0.00 0.02 0.00 0.00 175.30 175.60 2i9s n ALA 85 N -0.29 1.59 -3.68 0.00 0.00 -1.17 -4.16 120.51 112.81 2i9s n ALA 85 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 2i9s n ALA 85 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 0.03 -0.21 0.00 2.12 -0.18 -4.96 118.70 113.50 2i9s s GLU 86 Ca 0.00 0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2i9s s GLU 86 Cb 0.00 -0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 2i9s s GLU 86 CO 0.00 -0.29 -0.05 0.14 -0.54 0.00 0.00 175.26 174.52 2i9s s VAL 87 N 2.15 3.39 -0.31 3.70 -7.23 -1.26 0.10 120.40 120.94 2i9s s VAL 87 Ca 0.02 -0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 2i9s s VAL 87 Cb -0.12 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.30 2i9s s VAL 87 CO -0.06 0.44 0.12 0.42 -0.31 0.00 0.00 175.10 175.71 2i9s s THR 88 N 1.29 4.28 0.33 5.32 -4.23 -0.59 -4.98 115.64 117.06 2i9s s THR 88 Ca 0.03 -0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.66 2i9s s THR 88 Cb -0.14 -3.23 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 2i9s s THR 88 CO -0.02 0.03 0.95 -0.76 -0.54 0.00 0.00 174.62 174.28 2i9s s LEU 89 N 1.55 4.31 0.82 4.79 2.01 -1.26 -1.71 118.68 129.18 2i9s s LEU 89 Ca 0.03 1.85 -0.07 0.00 0.01 0.00 0.00 54.13 55.95 2i9s s LEU 89 Cb -0.17 -4.05 0.15 0.00 0.01 0.00 0.00 46.19 42.13 2i9s s LEU 89 CO 0.04 -0.11 1.13 -0.70 1.01 0.00 0.00 176.35 177.72 2i9s s GLU 90 N -2.14 1.27 0.00 1.70 2.12 -0.49 -4.96 118.70 116.20 2i9s s GLU 90 Ca 0.51 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2i9s s GLU 90 Cb -0.18 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2i9s s GLU 90 CO 0.24 -1.84 0.00 0.41 -0.54 0.00 0.00 175.26 173.53 2i9s n GLY 91 N -3.22 -1.64 3.41 -1.50 0.00 -1.26 -4.79 105.19 96.19 2i9s n GLY 91 Ca 0.15 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.47 2.94 -1.20 1.61 2.00 -1.26 -4.16 119.66 118.12 2i9s s GLN 92 Ca 0.00 -1.02 -0.03 0.00 -2.00 0.00 0.00 55.36 52.31 2i9s s GLN 92 Cb 0.00 -3.81 0.00 0.00 0.80 0.00 0.00 33.01 30.01 2i9s s GLN 92 CO 0.00 -0.69 1.02 -0.12 -0.50 0.00 0.00 175.29 175.00 2i9s n MET 93 N 5.06 -6.79 -0.27 1.67 1.56 -1.26 -4.94 117.12 112.14 2i9s n MET 93 Ca -0.12 0.80 0.01 0.00 -0.27 0.00 0.00 57.70 58.13 2i9s n MET 93 Cb 0.47 -5.72 0.14 0.00 2.15 0.00 0.00 33.22 30.26 2i9s n MET 93 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2i9s h TYR 94 N -2.09 0.80 0.00 1.12 3.20 -1.90 -1.75 116.97 116.34 2i9s h TYR 94 Ca -0.56 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.34 2i9s h TYR 94 Cb 1.33 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2i9s h TYR 94 CO 0.44 0.35 0.23 -1.00 -1.64 0.00 0.00 178.16 176.54 2i9s h PRO 95 N 0.76 0.00 -0.63 1.82 0.13 -1.94 0.67 132.00 132.81 2i9s h PRO 95 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 2i9s h PRO 95 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2i9s h PRO 95 CO -0.22 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.96 2i9s n GLY 96 N -1.20 2.65 0.83 1.56 0.00 -0.66 -5.27 105.19 103.10 2i9s n GLY 96 Ca -0.02 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.37 2i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60