#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9s h PRO 2 N 0.00 0.00 0.00 1.61 0.13 -2.07 -3.47 132.00 128.20 2i9s h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2i9s h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2i9s h PRO 2 CO 0.00 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 2i9s n GLY 3 N 0.44 3.49 3.36 1.56 0.00 -1.26 -5.09 105.19 107.70 2i9s n GLY 3 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 3.47 -0.46 1.61 -2.85 -1.26 -4.96 119.74 115.29 2i9s s LYS 4 Ca 0.00 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 2i9s s LYS 4 Cb 0.00 -3.06 0.03 0.00 -2.06 0.00 0.00 37.83 32.74 2i9s s LYS 4 CO 0.00 -0.13 1.07 -2.14 0.10 0.00 0.00 175.35 174.25 2i9s s PRO 5 N 1.35 3.69 0.00 1.78 0.02 -1.26 -4.78 135.00 135.80 2i9s s PRO 5 Ca 0.04 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.54 2i9s s PRO 5 Cb -0.14 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2i9s s PRO 5 CO -0.01 -1.30 0.00 0.39 -0.33 0.00 0.00 177.00 175.75 2i9s n GLU 6 N 7.58 2.61 0.32 5.54 1.02 -1.26 -4.68 120.64 131.76 2i9s n GLU 6 Ca 0.10 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.44 2i9s n GLU 6 Cb 0.49 -0.94 1.04 0.00 -0.02 0.00 0.00 31.44 32.01 2i9s n GLU 6 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2i9s h SER 7 N 0.00 0.00 -0.08 1.62 0.02 -1.94 -1.16 113.55 112.01 2i9s h SER 7 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2i9s h SER 7 Cb 0.59 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2i9s h SER 7 CO 0.00 0.01 -0.19 -0.29 -1.14 0.00 0.00 176.83 175.22 2i9s h ILE 8 N 0.00 0.00 0.05 3.27 6.09 -1.98 0.59 117.51 125.53 2i9s h ILE 8 Ca -0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2i9s h ILE 8 Cb 0.14 0.00 -0.03 0.00 0.47 0.00 0.00 36.82 37.41 2i9s h ILE 8 CO 0.00 0.00 -1.45 -0.07 -3.07 0.00 0.00 178.15 173.56 2i9s h LEU 9 N -0.18 0.18 -1.03 2.19 4.07 -1.71 -0.80 115.31 118.03 2i9s h LEU 9 Ca 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2i9s h LEU 9 Cb 0.23 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2i9s h LEU 9 CO -0.17 1.22 0.00 0.11 -1.08 0.00 0.00 178.44 178.52 2i9s h LYS 10 N 0.03 0.00 0.00 1.13 1.57 -1.22 0.45 116.57 118.53 2i9s h LYS 10 Ca -0.20 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2i9s h LYS 10 Cb 1.95 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 2i9s h LYS 10 CO 0.13 0.00 -1.54 -0.12 -0.57 0.00 0.00 179.45 177.35 2i9s n MET 11 N -2.42 1.64 -0.09 3.15 1.56 0.20 -4.88 117.12 116.28 2i9s n MET 11 Ca 0.01 0.02 -0.12 0.00 -0.27 0.00 0.00 57.70 57.34 2i9s n MET 11 Cb 0.21 -1.20 -0.06 0.00 2.15 0.00 0.00 33.22 34.32 2i9s n MET 11 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 2i9s h THR 12 N 0.00 0.40 0.00 1.12 2.02 -0.91 -3.50 112.91 112.04 2i9s h THR 12 Ca -0.21 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2i9s h THR 12 Cb 1.41 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2i9s h THR 12 CO -0.01 0.14 0.00 1.17 0.37 0.00 0.00 175.52 177.19 2i9s n LYS 13 N -4.54 0.00 -2.05 6.66 0.00 0.13 -5.03 118.16 113.34 2i9s n LYS 13 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.86 2i9s n LYS 13 Cb 0.44 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.55 2i9s n LYS 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2i9s s LYS 14 N 0.00 2.09 -1.25 1.64 1.02 -1.19 -4.29 119.74 117.75 2i9s s LYS 14 Ca 0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.81 2i9s s LYS 14 Cb 0.00 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 2i9s s LYS 14 CO 0.00 -1.42 0.64 0.41 -0.92 0.00 0.00 175.35 174.07 2i9s n GLY 15 N -3.12 -0.64 2.96 -3.33 0.00 -1.26 -5.00 105.19 94.80 2i9s n GLY 15 Ca 0.08 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.24 1.73 0.20 1.61 2.47 -1.26 -4.96 119.74 113.30 2i9s s LYS 16 Ca 0.26 -0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 2i9s s LYS 16 Cb -0.10 -1.64 -0.08 0.00 -1.46 0.00 0.00 37.83 34.55 2i9s s LYS 16 CO 0.87 -0.17 1.20 0.95 0.16 0.00 0.00 175.35 178.36 2i9s s THR 17 N 1.36 3.49 -0.12 3.43 -4.23 -1.26 -3.77 115.64 114.54 2i9s s THR 17 Ca -0.01 1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 61.77 2i9s s THR 17 Cb -0.14 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.93 2i9s s THR 17 CO -0.05 0.22 0.00 -0.22 -0.54 0.00 0.00 174.62 174.03 2i9s s LEU 18 N -0.40 0.89 -0.28 4.79 1.98 -0.52 -4.99 118.68 120.14 2i9s s LEU 18 Ca 0.52 -0.37 -0.16 0.00 -2.89 0.00 0.00 54.13 51.23 2i9s s LEU 18 Cb -0.33 -0.56 -0.03 0.00 0.66 0.00 0.00 46.19 45.93 2i9s s LEU 18 CO 0.38 -0.22 0.43 0.00 -1.89 0.00 0.00 176.35 175.05 2i9s s MET 19 N 1.89 3.96 -0.07 1.98 0.23 -1.26 -1.36 119.30 124.66 2i9s s MET 19 Ca 0.03 0.07 0.05 0.00 -1.03 0.00 0.00 55.69 54.80 2i9s s MET 19 Cb -0.14 -3.68 -0.00 0.00 -1.53 0.00 0.00 34.83 29.47 2i9s s MET 19 CO -0.07 -0.36 -0.22 0.00 -2.03 0.00 0.00 175.02 172.34 2i9s s MET 20 N 2.17 2.48 -0.28 3.16 0.23 -0.62 -3.51 119.30 122.93 2i9s s MET 20 Ca 0.17 -0.80 -0.15 0.00 -1.03 0.00 0.00 55.69 53.88 2i9s s MET 20 Cb -0.16 -2.03 -0.03 0.00 -1.53 0.00 0.00 34.83 31.08 2i9s s MET 20 CO 0.10 0.27 0.35 0.12 -2.03 0.00 0.00 175.02 173.84 2i9s s PHE 21 N 0.08 3.24 -0.09 3.16 2.19 -0.12 -1.78 117.98 124.66 2i9s s PHE 21 Ca -0.09 0.32 0.04 0.00 0.33 0.00 0.00 56.93 57.53 2i9s s PHE 21 Cb -0.15 -2.57 -0.00 0.00 -1.31 0.00 0.00 43.02 38.99 2i9s s PHE 21 CO 0.05 -0.25 -0.22 0.54 1.83 0.00 0.00 175.22 177.16 2i9s s VAL 22 N 2.03 1.91 0.10 3.12 0.11 -0.58 -1.07 120.40 126.02 2i9s s VAL 22 Ca 0.14 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2i9s s VAL 22 Cb -0.16 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 2i9s s VAL 22 CO 0.10 0.53 0.26 -0.89 -3.33 0.00 0.00 175.10 171.77 2i9s s THR 23 N 0.28 5.34 0.21 5.04 2.01 0.38 -2.18 115.64 126.72 2i9s s THR 23 Ca -0.15 -0.45 0.11 0.00 0.31 0.00 0.00 61.69 61.51 2i9s s THR 23 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2i9s s THR 23 CO 0.07 0.04 -0.21 0.54 -0.69 0.00 0.00 174.62 174.36 2i9s s VAL 24 N -1.62 2.23 0.40 3.82 0.11 -1.26 -1.41 120.40 122.66 2i9s s VAL 24 Ca 0.36 -2.10 0.08 0.00 -2.93 0.00 0.00 61.98 57.39 2i9s s VAL 24 Cb -0.12 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.61 2i9s s VAL 24 CO 0.28 -0.25 0.32 -0.44 -3.33 0.00 0.00 175.10 171.68 2i9s s SER 25 N -2.88 4.96 0.00 3.54 0.01 -1.25 -4.63 113.70 113.45 2i9s s SER 25 Ca 0.22 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2i9s s SER 25 Cb -0.06 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2i9s s SER 25 CO 0.10 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2i9s n GLY 26 N -1.45 1.77 3.17 3.44 0.00 -1.26 -4.64 105.19 106.23 2i9s n GLY 26 Ca 0.02 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 4.48 0.00 1.61 3.84 -1.26 -4.98 114.94 114.63 2i9s s ASN 27 Ca 0.00 -1.06 0.00 0.00 0.21 0.00 0.00 52.86 52.01 2i9s s ASN 27 Cb 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 2i9s s ASN 27 CO 0.00 -0.17 0.71 -2.65 -2.79 0.00 0.00 177.10 172.19 2i9s n PRO 28 N 4.62 0.69 -0.76 0.43 -0.02 -1.26 -4.34 135.00 134.36 2i9s n PRO 28 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2i9s n PRO 28 Cb 0.45 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2i9s n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2i9s n THR 29 N 0.68 0.00 1.74 3.45 -2.24 -1.22 -4.70 114.28 111.99 2i9s n THR 29 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2i9s n THR 29 Cb 0.34 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.30 -0.07 -0.78 2.13 -1.26 -2.47 120.64 119.48 2i9s n GLU 30 Ca 0.00 -0.44 -0.13 0.00 0.66 0.00 0.00 57.16 57.25 2i9s n GLU 30 Cb 0.00 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.23 2i9s n GLU 30 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2i9s h LYS 31 N 0.99 0.48 -0.22 5.31 6.56 -1.94 0.55 116.57 128.30 2i9s h LYS 31 Ca 0.00 -0.25 -0.10 0.00 -1.06 0.00 0.00 60.65 59.24 2i9s h LYS 31 Cb 0.21 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2i9s h LYS 31 CO 0.00 0.82 -0.24 1.49 -2.06 0.00 0.00 179.45 179.46 2i9s h GLU 32 N 0.16 0.56 -0.38 3.15 4.57 -1.76 -2.27 114.58 118.62 2i9s h GLU 32 Ca 0.03 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 57.95 2i9s h GLU 32 Cb 0.73 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.28 2i9s h GLU 32 CO 0.05 0.89 -0.36 1.15 -1.18 0.00 0.00 179.01 179.56 2i9s h THR 33 N 0.25 0.00 0.17 0.32 2.02 -1.65 -0.32 112.91 113.69 2i9s h THR 33 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2i9s h THR 33 Cb 0.80 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2i9s h THR 33 CO 0.06 0.00 -0.16 1.05 0.37 0.00 0.00 175.52 176.84 2i9s h GLU 34 N -0.17 -0.34 -0.34 6.66 4.11 0.30 0.91 114.58 125.70 2i9s h GLU 34 Ca 0.06 0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.46 2i9s h GLU 34 Cb 0.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2i9s h GLU 34 CO -0.45 -0.23 -0.01 1.05 0.07 0.00 0.00 179.01 179.45 2i9s h GLU 35 N -0.35 0.62 -0.35 1.06 4.11 -1.32 -1.68 114.58 116.65 2i9s h GLU 35 Ca -0.00 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 59.17 2i9s h GLU 35 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2i9s h GLU 35 CO -0.03 0.74 -0.01 0.82 0.07 0.00 0.00 179.01 180.60 2i9s h ILE 36 N 0.42 1.26 -0.49 -1.06 5.03 -0.88 -2.05 117.51 119.75 2i9s h ILE 36 Ca 0.10 -1.01 -0.13 0.00 -0.12 0.00 0.00 64.86 63.69 2i9s h ILE 36 Cb 0.47 1.21 -0.01 0.00 -3.03 0.00 0.00 36.82 35.46 2i9s h ILE 36 CO 0.02 0.33 -0.21 0.71 -0.68 0.00 0.00 178.15 178.33 2i9s h THR 37 N 0.44 1.27 0.39 -0.27 1.35 0.10 0.62 112.91 116.82 2i9s h THR 37 Ca 0.10 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 2i9s h THR 37 Cb 0.48 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2i9s h THR 37 CO 0.02 0.47 -0.19 0.77 -0.25 0.00 0.00 175.52 176.35 2i9s h SER 38 N 0.86 -0.44 -0.47 5.36 4.64 -1.34 0.57 113.55 122.73 2i9s h SER 38 Ca 0.11 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2i9s h SER 38 Cb 0.79 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2i9s h SER 38 CO 0.07 -0.28 0.19 0.25 -0.87 0.00 0.00 176.83 176.19 2i9s h LEU 39 N -0.57 0.64 0.00 5.97 5.85 -1.16 -0.66 115.31 125.39 2i9s h LEU 39 Ca -0.05 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2i9s h LEU 39 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2i9s h LEU 39 CO 0.09 0.63 0.00 0.79 -0.34 0.00 0.00 178.44 179.61 2i9s n TRP 40 N -4.59 0.00 0.32 1.25 7.02 0.22 -1.42 117.44 120.24 2i9s n TRP 40 Ca 0.01 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.65 2i9s n TRP 40 Cb 0.15 -0.25 0.60 0.00 -2.42 0.00 0.00 31.31 29.39 2i9s n TRP 40 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2i9s h GLN 41 N 0.00 0.00 -0.01 -0.99 -0.00 -1.01 0.40 115.11 113.49 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 0.00 0.78 -0.00 0.00 0.00 178.83 179.61 2i9s h GLY 42 N 2.23 0.02 2.00 0.06 0.00 -1.15 -1.00 103.07 105.24 2i9s h GLY 42 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2i9s h GLY 42 CO 0.00 0.01 -0.40 1.48 0.00 0.00 0.00 176.54 177.63 2i9s h SER 43 N -0.17 0.00 -0.80 0.19 4.64 0.03 -0.41 113.55 117.03 2i9s h SER 43 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2i9s h SER 43 Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 2i9s h SER 43 CO -0.00 0.40 0.53 -0.07 -0.87 0.00 0.00 176.83 176.82 2i9s h LEU 44 N 0.00 0.90 0.06 5.97 3.38 0.08 0.11 115.31 125.81 2i9s h LEU 44 Ca -0.00 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 2i9s h LEU 44 Cb 0.90 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2i9s h LEU 44 CO 0.05 0.64 -1.56 0.15 0.09 0.00 0.00 178.44 177.82 2i9s h PHE 45 N 1.06 0.23 -0.32 1.13 3.57 -0.90 -3.03 116.94 118.68 2i9s h PHE 45 Ca 0.30 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2i9s h PHE 45 Cb -0.08 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2i9s h PHE 45 CO -0.00 1.23 -0.08 -0.97 -2.23 0.00 0.00 178.31 176.26 2i9s h ASN 46 N 0.03 0.50 -0.24 0.41 -1.24 -0.63 -1.39 115.58 113.03 2i9s h ASN 46 Ca -0.24 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2i9s h ASN 46 Cb 1.98 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.89 2i9s h ASN 46 CO 0.12 0.63 0.00 0.00 -1.29 0.00 0.00 177.43 176.89 2i9s n ALA 47 N -2.48 2.47 -3.06 1.57 0.00 0.33 -4.91 120.51 114.43 2i9s n ALA 47 Ca 0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 2i9s n ALA 47 Cb 0.30 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.78 2i9s n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i9s n ASN 48 N 0.23 -6.18 -0.76 0.00 3.02 -0.52 -4.90 115.26 106.15 2i9s n ASN 48 Ca 0.10 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2i9s n ASN 48 Cb 0.23 -4.98 0.00 0.00 -0.61 0.00 0.00 39.78 34.42 2i9s n ASN 48 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2i9s n TYR 49 N -4.56 0.00 -2.10 3.10 4.01 -1.14 -4.90 117.16 111.56 2i9s n TYR 49 Ca -0.11 -0.24 -0.10 0.00 -0.16 0.00 0.00 57.90 57.30 2i9s n TYR 49 Cb 0.62 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.31 -1.48 -3.56 7.72 2.03 -1.26 -4.78 116.55 115.53 2i9s n ASP 50 Ca 0.00 -0.13 -0.14 0.00 0.52 0.00 0.00 54.79 55.05 2i9s n ASP 50 Cb 0.34 -0.45 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.04 0.00 -0.08 5.18 -7.23 -1.26 -3.82 120.40 112.16 2i9s s VAL 51 Ca 0.07 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2i9s s VAL 51 Cb -0.01 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2i9s s VAL 51 CO 0.25 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.44 2i9s s GLN 52 N -3.46 0.79 -0.03 4.82 -0.44 -0.48 -4.99 119.66 115.87 2i9s s GLN 52 Ca 0.32 0.02 0.01 0.00 -2.50 0.00 0.00 55.36 53.21 2i9s s GLN 52 Cb 0.01 -1.07 0.02 0.00 -1.64 0.00 0.00 33.01 30.33 2i9s s GLN 52 CO 0.18 -0.28 -0.03 1.03 0.50 0.00 0.00 175.29 176.69 2i9s s ARG 53 N 1.83 0.60 0.03 1.67 3.00 -1.26 0.01 118.95 124.83 2i9s s ARG 53 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 55.73 55.73 2i9s s ARG 53 Cb -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 34.95 34.15 2i9s s ARG 53 CO -0.05 -0.07 -0.07 0.12 0.00 0.00 0.00 175.30 175.23 2i9s s PHE 54 N 0.80 0.58 -0.16 -0.53 5.36 -0.79 -4.89 117.98 118.35 2i9s s PHE 54 Ca -0.10 -0.45 -0.29 0.00 -0.96 0.00 0.00 56.93 55.14 2i9s s PHE 54 Cb -0.13 -0.35 -0.00 0.00 -0.34 0.00 0.00 43.02 42.19 2i9s s PHE 54 CO -0.00 -0.09 1.00 0.42 -1.46 0.00 0.00 175.22 175.09 2i9s s ILE 55 N -1.21 4.75 0.00 3.12 1.01 -1.26 -0.70 121.20 126.91 2i9s s ILE 55 Ca -0.09 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.56 2i9s s ILE 55 Cb -0.09 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2i9s s ILE 55 CO 0.00 -0.06 0.00 0.52 0.00 0.00 0.00 174.94 175.40 2i9s n VAL 56 N 4.85 0.00 -4.19 2.92 0.31 -0.89 -5.00 118.33 116.33 2i9s n VAL 56 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.26 2i9s n VAL 56 Cb 0.48 -0.43 -0.11 0.00 -0.91 0.00 0.00 33.84 32.86 2i9s n VAL 56 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2i9s s GLY 57 N -1.90 0.91 -1.19 2.92 0.00 -0.48 -5.01 107.32 102.57 2i9s s GLY 57 Ca 0.00 -1.13 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 2i9s s GLY 57 CO 0.00 -1.18 1.51 -0.56 0.00 0.00 0.00 173.10 172.87 2i9s s SER 58 N -2.14 6.88 0.00 1.64 0.01 -1.26 -0.63 113.70 118.19 2i9s s SER 58 Ca 0.03 -2.52 0.00 0.00 1.31 0.00 0.00 55.95 54.76 2i9s s SER 58 Cb -0.07 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2i9s s SER 58 CO 0.02 -1.02 0.00 -0.90 0.41 0.00 0.00 173.24 171.75 2i9s n ASP 59 N 7.10 0.00 -3.08 2.44 5.75 -1.03 -3.42 116.55 124.31 2i9s n ASP 59 Ca 0.39 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 55.01 2i9s n ASP 59 Cb 0.46 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 2i9s n ASP 59 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2i9s n ARG 60 N 0.00 0.59 -3.98 0.11 5.12 0.19 -3.91 116.66 114.79 2i9s n ARG 60 Ca 0.00 -2.99 -0.10 0.00 -1.93 0.00 0.00 57.85 52.83 2i9s n ARG 60 Cb 0.00 2.71 -0.04 0.00 -1.16 0.00 0.00 32.46 33.97 2i9s n ARG 60 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i9s s ALA 61 N -2.99 -0.18 0.23 7.54 0.00 -0.92 -1.38 121.76 124.05 2i9s s ALA 61 Ca 0.33 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.45 2i9s s ALA 61 Cb 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 2i9s s ALA 61 CO 0.24 -0.87 -0.18 0.96 0.00 0.00 0.00 175.76 175.90 2i9s s ILE 62 N -3.66 2.10 -0.15 0.00 -4.36 0.13 -1.52 121.20 113.74 2i9s s ILE 62 Ca 0.22 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 2i9s s ILE 62 Cb -0.01 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.60 2i9s s ILE 62 CO 0.11 -0.42 -0.16 0.72 0.24 0.00 0.00 174.94 175.43 2i9s s PHE 63 N -2.50 2.32 -0.28 1.37 -0.71 -0.73 -1.88 117.98 115.57 2i9s s PHE 63 Ca 0.24 -1.29 -0.08 0.00 -1.04 0.00 0.00 56.93 54.76 2i9s s PHE 63 Cb -0.04 -1.66 -0.01 0.00 -1.21 0.00 0.00 43.02 40.09 2i9s s PHE 63 CO 0.10 -0.67 0.11 1.41 -1.34 0.00 0.00 175.22 174.83 2i9s s MET 64 N 1.32 3.45 0.05 1.99 1.75 0.10 -1.58 119.30 126.37 2i9s s MET 64 Ca 0.02 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 2i9s s MET 64 Cb -0.13 -3.44 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 2i9s s MET 64 CO -0.09 -0.32 0.09 -0.48 -0.65 0.00 0.00 175.02 173.57 2i9s s LEU 65 N 1.60 3.89 -0.04 4.11 2.34 -0.47 -1.38 118.68 128.73 2i9s s LEU 65 Ca 0.05 0.08 -0.06 0.00 0.06 0.00 0.00 54.13 54.26 2i9s s LEU 65 Cb -0.16 -2.45 -0.03 0.00 -0.56 0.00 0.00 46.19 42.98 2i9s s LEU 65 CO 0.05 0.21 -0.13 -1.14 -1.06 0.00 0.00 176.35 174.28 2i9s n ARG 66 N 0.71 0.20 0.24 1.48 0.63 -1.25 -1.44 116.66 117.23 2i9s n ARG 66 Ca -0.10 0.08 0.10 0.00 -0.92 0.00 0.00 57.85 57.01 2i9s n ARG 66 Cb 0.52 -0.84 0.35 0.00 0.45 0.00 0.00 32.46 32.94 2i9s n ARG 66 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2i9s h ASP 67 N -0.36 0.00 0.00 6.15 3.58 -1.88 -3.38 116.42 120.53 2i9s h ASP 67 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2i9s h ASP 67 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2i9s h ASP 67 CO -0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 2i9s n GLY 68 N -1.45 2.44 2.44 -0.78 0.00 -1.25 -4.62 105.19 101.97 2i9s n GLY 68 Ca 0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 0.91 3.63 0.00 1.61 7.64 -1.26 -4.67 113.62 121.48 2i9s n SER 69 Ca 0.00 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.46 2i9s n SER 69 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.81 0.00 0.05 1.43 0.18 -1.26 -5.07 117.16 113.30 2i9s n TYR 70 Ca 0.30 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.92 2i9s n TYR 70 Cb 0.42 0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.25 2i9s n TYR 70 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9s h ALA 71 N 0.00 0.35 0.00 -3.48 0.00 -1.96 -2.93 119.26 111.25 2i9s h ALA 71 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 54.91 53.64 2i9s h ALA 71 Cb 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2i9s h ALA 71 CO 0.00 1.22 -0.52 -1.49 0.00 0.00 0.00 179.25 178.46 2i9s h TRP 72 N 0.05 0.00 -0.29 0.00 6.55 -1.95 0.14 115.95 120.45 2i9s h TRP 72 Ca -0.25 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.50 2i9s h TRP 72 Cb 2.00 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 30.29 2i9s h TRP 72 CO 0.05 0.52 -0.20 1.49 -1.05 0.00 0.00 178.44 179.25 2i9s h GLU 73 N 0.00 0.66 -0.83 0.49 4.81 -1.92 -1.86 114.58 115.93 2i9s h GLU 73 Ca -0.01 -0.31 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 2i9s h GLU 73 Cb 1.02 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 2i9s h GLU 73 CO 0.07 0.91 0.50 0.82 -0.73 0.00 0.00 179.01 180.58 2i9s h ILE 74 N 0.40 1.00 -0.06 2.32 2.04 -1.02 -1.64 117.51 120.56 2i9s h ILE 74 Ca 0.06 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2i9s h ILE 74 Cb 0.75 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2i9s h ILE 74 CO 0.06 0.16 -0.11 0.50 0.00 0.00 0.00 178.15 178.76 2i9s h LYS 75 N 0.90 -0.16 -0.44 2.37 3.64 -0.61 -1.62 116.57 120.64 2i9s h LYS 75 Ca 0.37 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 2i9s h LYS 75 Cb 0.22 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 2i9s h LYS 75 CO -0.19 -0.10 0.12 0.22 -2.27 0.00 0.00 179.45 177.23 2i9s h ASP 76 N -0.16 0.09 0.33 4.20 3.58 -0.80 -1.96 116.42 121.70 2i9s h ASP 76 Ca 0.06 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2i9s h ASP 76 Cb 0.24 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2i9s h ASP 76 CO -0.15 0.08 -0.50 -0.26 -2.88 0.00 0.00 179.24 175.53 2i9s h PHE 77 N 0.27 -1.40 -0.13 0.28 0.04 -0.59 -1.12 116.94 114.28 2i9s h PHE 77 Ca 0.21 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.05 2i9s h PHE 77 Cb 0.24 0.57 -0.06 0.00 2.20 0.00 0.00 35.95 38.90 2i9s h PHE 77 CO -0.18 -0.63 -0.24 -0.07 -0.60 0.00 0.00 178.31 176.60 2i9s h LEU 78 N -0.88 -0.73 0.00 1.54 3.38 -0.91 0.86 115.31 118.57 2i9s h LEU 78 Ca -0.03 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2i9s h LEU 78 Cb 0.81 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2i9s h LEU 78 CO -0.16 -0.29 0.00 1.33 0.09 0.00 0.00 178.44 179.42 2i9s n VAL 79 N -5.36 0.39 0.67 1.22 0.24 -0.77 0.60 118.33 115.32 2i9s n VAL 79 Ca -0.03 0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.49 2i9s n VAL 79 Cb 0.28 -0.70 0.15 0.00 -1.47 0.00 0.00 33.84 32.10 2i9s n VAL 79 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2i9s n SER 80 N -1.47 3.21 -0.01 -1.34 7.64 0.41 -4.50 113.62 117.55 2i9s n SER 80 Ca 0.06 -1.99 -0.21 0.00 1.01 0.00 0.00 58.87 57.74 2i9s n SER 80 Cb 0.26 -0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.21 2i9s n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i9s n GLN 81 N 1.41 0.74 0.00 1.43 1.13 0.27 -5.02 117.38 117.34 2i9s n GLN 81 Ca 0.16 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2i9s n GLN 81 Cb 0.60 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 -3.55 0.00 -4.84 1.08 2.03 -0.86 -5.07 116.55 105.34 2i9s n ASP 82 Ca -0.33 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.64 2i9s n ASP 82 Cb 1.01 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.07 3.27 -0.02 -0.67 1.81 -1.26 -4.98 118.95 117.18 2i9s s ARG 83 Ca 0.00 -0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 53.65 2i9s s ARG 83 Cb 0.00 -3.01 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2i9s s ARG 83 CO 0.00 0.69 0.03 0.00 -0.68 0.00 0.00 175.30 175.34 2i9s n ALA 85 N 3.56 1.52 -3.52 0.00 0.00 -1.13 -3.81 120.51 117.13 2i9s n ALA 85 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 2i9s n ALA 85 Cb 0.56 0.00 -0.07 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 0.42 -0.40 0.00 2.12 -0.50 -4.97 118.70 113.36 2i9s s GLU 86 Ca 0.00 1.02 -0.05 0.00 0.36 0.00 0.00 54.97 56.30 2i9s s GLU 86 Cb 0.00 0.31 0.10 0.00 0.26 0.00 0.00 34.13 34.80 2i9s s GLU 86 CO 0.00 -0.37 0.20 0.08 -0.54 0.00 0.00 175.26 174.63 2i9s s VAL 87 N 2.70 3.53 -0.19 3.70 1.01 -1.26 0.14 120.40 130.03 2i9s s VAL 87 Ca 0.04 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.16 2i9s s VAL 87 Cb -0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2i9s s VAL 87 CO -0.16 -0.59 -0.03 0.42 0.00 0.00 0.00 175.10 174.74 2i9s s THR 88 N 1.23 3.74 0.15 3.92 -4.23 -0.24 -4.77 115.64 115.45 2i9s s THR 88 Ca 0.05 -0.39 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2i9s s THR 88 Cb -0.23 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 2i9s s THR 88 CO -0.02 0.45 0.10 -0.76 -0.54 0.00 0.00 174.62 173.85 2i9s s LEU 89 N 0.92 3.70 0.65 4.79 1.02 -1.26 -0.95 118.68 127.55 2i9s s LEU 89 Ca 0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 54.13 53.88 2i9s s LEU 89 Cb -0.14 -2.33 -0.00 0.00 0.02 0.00 0.00 46.19 43.73 2i9s s LEU 89 CO 0.01 0.09 1.03 -0.70 0.02 0.00 0.00 176.35 176.80 2i9s s GLU 90 N -2.97 3.11 0.00 1.70 -6.30 -1.23 -4.82 118.70 108.20 2i9s s GLU 90 Ca 0.30 0.46 0.00 0.00 -2.50 0.00 0.00 54.97 53.23 2i9s s GLU 90 Cb -0.10 -2.09 0.00 0.00 0.00 0.00 0.00 34.13 31.94 2i9s s GLU 90 CO 0.22 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.10 2i9s n GLY 91 N -2.83 1.70 3.53 -1.50 0.00 -1.26 -4.86 105.19 99.97 2i9s n GLY 91 Ca 0.06 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.94 3.38 -0.57 1.61 -0.21 -1.26 -4.00 119.66 116.67 2i9s s GLN 92 Ca 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 2i9s s GLN 92 Cb 0.00 -3.97 0.02 0.00 1.00 0.00 0.00 33.01 30.06 2i9s s GLN 92 CO 0.00 -1.20 0.64 -0.12 -2.12 0.00 0.00 175.29 172.50 2i9s n MET 93 N 6.84 -1.91 -2.68 2.91 0.00 -1.26 -4.91 117.12 116.11 2i9s n MET 93 Ca 0.02 1.69 -0.43 0.00 0.00 0.00 0.00 57.70 58.98 2i9s n MET 93 Cb 0.48 -4.81 -0.02 0.00 0.00 0.00 0.00 33.22 28.87 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 -2.60 3.22 0.28 1.12 5.04 -1.26 -5.04 117.35 118.11 2i9s s TYR 94 Ca 0.17 1.24 0.07 0.00 -2.44 0.00 0.00 57.07 56.11 2i9s s TYR 94 Cb -0.04 -3.50 -0.03 0.00 0.35 0.00 0.00 41.96 38.74 2i9s s TYR 94 CO 0.79 -0.65 0.31 -1.25 -1.34 0.00 0.00 175.55 173.41 2i9s s PRO 95 N 3.43 3.05 0.00 4.97 0.04 -1.26 -4.95 135.00 140.28 2i9s s PRO 95 Ca 0.43 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.45 2i9s s PRO 95 Cb -0.13 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2i9s s PRO 95 CO 0.12 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.84 2i9s n GLY 96 N -1.37 -0.02 0.59 0.56 0.00 -1.26 -5.07 105.19 98.62 2i9s n GLY 96 Ca -0.05 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.67 2i9s n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49