#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqe s GLY 3 N 0.00 2.03 0.07 5.00 0.00 0.22 -4.83 107.32 109.81 2qqe s GLY 3 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.93 2qqe s GLY 3 CO 0.00 0.45 0.03 0.54 0.00 0.00 0.00 173.10 174.12 2qqe s LYS 4 N -4.19 2.70 -0.20 2.90 -0.14 -1.26 -4.82 119.74 114.73 2qqe s LYS 4 Ca 0.59 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 54.38 2qqe s LYS 4 Cb -0.11 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 2qqe s LYS 4 CO 0.34 0.56 0.04 -1.17 -0.76 0.00 0.00 175.35 174.37 2qqe s LEU 5 N -2.24 3.54 -0.17 3.17 2.96 -1.26 -1.55 118.68 123.13 2qqe s LEU 5 Ca 0.26 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 2qqe s LEU 5 Cb -0.12 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2qqe s LEU 5 CO 0.19 0.09 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.40 2qqe s THR 6 N 0.87 4.08 -0.13 3.68 2.01 -0.42 -0.77 115.64 124.96 2qqe s THR 6 Ca 0.03 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2qqe s THR 6 Cb -0.14 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 2qqe s THR 6 CO 0.02 0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.55 2qqe s VAL 7 N 0.49 2.45 -0.23 3.82 1.01 -0.36 -0.73 120.40 126.84 2qqe s VAL 7 Ca -0.02 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2qqe s VAL 7 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2qqe s VAL 7 CO 0.02 0.54 0.10 -0.63 0.00 0.00 0.00 175.10 175.13 2qqe s ILE 8 N 0.57 4.72 0.21 2.22 1.01 0.34 0.33 121.20 130.59 2qqe s ILE 8 Ca -0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2qqe s ILE 8 Cb -0.16 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2qqe s ILE 8 CO 0.04 0.36 0.32 0.28 0.00 0.00 0.00 174.94 175.94 2qqe s THR 9 N 1.22 0.02 0.00 2.92 -1.32 0.61 -1.65 115.64 117.44 2qqe s THR 9 Ca 0.05 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2qqe s THR 9 Cb -0.14 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2qqe s THR 9 CO 0.04 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 2qqe n GLY 10 N -0.29 0.60 2.22 6.08 0.00 -1.24 0.44 105.19 113.00 2qqe n GLY 10 Ca -0.03 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 2qqe n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qqe n PRO 11 N -1.38 -0.82 -1.38 1.61 -0.04 -1.26 -3.91 135.00 127.81 2qqe n PRO 11 Ca 0.00 -1.18 -0.34 0.00 -0.04 0.00 0.00 63.50 61.94 2qqe n PRO 11 Cb 0.00 -0.80 0.10 0.00 -0.04 0.00 0.00 33.50 32.76 2qqe n PRO 11 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2qqe s MET 12 N -4.67 2.04 -1.28 0.54 -1.94 -1.26 -3.34 119.30 109.39 2qqe s MET 12 Ca 0.43 1.82 0.00 0.00 -1.71 0.00 0.00 55.69 56.24 2qqe s MET 12 Cb -0.01 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.01 2qqe s MET 12 CO 0.31 -1.93 0.00 0.66 -0.01 0.00 0.00 175.02 174.05 2qqe n TYR 13 N -2.76 -0.45 -0.72 -0.03 4.01 -1.26 -4.69 117.16 111.25 2qqe n TYR 13 Ca 0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.96 2qqe n TYR 13 Cb 0.50 -2.82 0.26 0.00 -0.31 0.00 0.00 39.34 36.97 2qqe n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qqe n SER 14 N -0.53 3.96 -3.08 7.72 3.41 -1.21 -4.52 113.62 119.37 2qqe n SER 14 Ca -0.16 -2.67 -0.22 0.00 -0.26 0.00 0.00 58.87 55.57 2qqe n SER 14 Cb 0.57 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 64.09 2qqe n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qqe n GLY 15 N 0.11 -0.45 0.24 5.00 0.00 -1.26 -4.59 105.19 104.24 2qqe n GLY 15 Ca 0.20 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 2qqe n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qqe h LYS 16 N -1.84 0.83 -0.48 1.61 1.57 -1.93 -1.64 116.57 114.69 2qqe h LYS 16 Ca -0.52 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 57.68 2qqe h LYS 16 Cb 1.35 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 2qqe h LYS 16 CO 0.53 1.13 -0.04 1.15 -0.57 0.00 0.00 179.45 181.65 2qqe h THR 17 N 0.60 1.27 -0.36 -0.16 2.02 -1.97 -1.29 112.91 113.02 2qqe h THR 17 Ca 0.03 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2qqe h THR 17 Cb 1.06 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2qqe h THR 17 CO 0.11 0.39 0.24 0.74 0.37 0.00 0.00 175.52 177.37 2qqe h THR 18 N 0.73 1.09 -0.47 3.16 2.02 -1.96 -1.12 112.91 116.36 2qqe h THR 18 Ca 0.13 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.23 2qqe h THR 18 Cb 0.57 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 2qqe h THR 18 CO 0.03 0.09 0.04 -0.08 0.37 0.00 0.00 175.52 175.97 2qqe h GLU 19 N 0.48 0.15 -0.88 6.66 4.57 -1.22 -2.04 114.58 122.30 2qqe h GLU 19 Ca 0.13 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2qqe h GLU 19 Cb -0.05 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 2qqe h GLU 19 CO -0.03 0.10 0.45 1.25 -1.18 0.00 0.00 179.01 179.60 2qqe h LEU 20 N 0.16 1.13 -1.51 1.64 5.85 -0.65 -2.67 115.31 119.25 2qqe h LEU 20 Ca 0.24 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2qqe h LEU 20 Cb 0.34 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qqe h LEU 20 CO -0.36 0.93 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.35 2qqe h LEU 21 N 1.25 0.00 -1.04 2.25 3.38 -0.87 -1.40 115.31 118.88 2qqe h LEU 21 Ca 0.31 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.39 2qqe h LEU 21 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2qqe h LEU 21 CO -0.04 0.24 0.63 0.28 0.09 0.00 0.00 178.44 179.64 2qqe h SER 22 N 0.00 0.92 -0.04 -0.43 0.02 -1.01 -0.55 113.55 112.46 2qqe h SER 22 Ca -0.00 0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 60.74 2qqe h SER 22 Cb 0.43 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.85 2qqe h SER 22 CO 0.03 0.50 -0.96 -0.26 -1.14 0.00 0.00 176.83 175.00 2qqe h PHE 23 N 0.99 1.05 -0.34 3.45 0.04 -1.27 -2.78 116.94 118.09 2qqe h PHE 23 Ca 0.48 -0.54 0.07 0.00 2.80 0.00 0.00 57.97 60.78 2qqe h PHE 23 Cb 0.46 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 2qqe h PHE 23 CO -0.00 1.38 -0.07 0.28 -0.60 0.00 0.00 178.31 179.29 2qqe h VAL 24 N 0.44 0.67 -0.85 -0.55 2.07 -1.12 -2.59 116.25 114.32 2qqe h VAL 24 Ca -0.10 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.57 2qqe h VAL 24 Cb 1.61 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 31.94 2qqe h VAL 24 CO 0.19 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 178.14 2qqe h GLU 25 N 0.01 0.58 -0.90 1.57 4.81 -1.05 -0.47 114.58 119.13 2qqe h GLU 25 Ca 0.16 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2qqe h GLU 25 Cb 0.25 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2qqe h GLU 25 CO -0.34 0.39 0.49 0.82 -0.73 0.00 0.00 179.01 179.64 2qqe h ILE 26 N 0.60 1.26 0.01 2.32 2.04 -1.18 0.33 117.51 122.89 2qqe h ILE 26 Ca 0.47 -0.65 -0.19 0.00 1.00 0.00 0.00 64.86 65.49 2qqe h ILE 26 Cb 0.70 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2qqe h ILE 26 CO -0.38 0.30 -0.88 1.88 0.00 0.00 0.00 178.15 179.06 2qqe h TYR 27 N 1.26 0.12 -0.14 1.37 -1.99 -1.28 -1.46 116.97 114.85 2qqe h TYR 27 Ca 0.32 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.89 2qqe h TYR 27 Cb 0.03 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.75 2qqe h TYR 27 CO 0.01 0.91 -0.26 0.87 -0.00 0.00 0.00 178.16 179.70 2qqe h LYS 28 N 0.04 0.42 0.00 4.88 1.57 -0.21 -1.35 116.57 121.91 2qqe h LYS 28 Ca -0.03 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2qqe h LYS 28 Cb 1.53 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.87 2qqe h LYS 28 CO 0.12 0.86 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.70 2qqe h LEU 29 N 0.02 0.00 -1.49 2.94 3.38 -0.42 -3.08 115.31 116.67 2qqe h LEU 29 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qqe h LEU 29 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2qqe h LEU 29 CO 0.06 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2qqe n GLY 30 N -1.01 0.98 2.84 0.83 0.00 -0.55 -4.94 105.19 103.34 2qqe n GLY 30 Ca -0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 2qqe n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqe n LYS 31 N 0.47 -4.54 -4.66 1.61 4.76 -1.12 -5.02 118.16 109.65 2qqe n LYS 31 Ca 0.12 0.68 -0.30 0.00 -2.87 0.00 0.00 58.31 55.94 2qqe n LYS 31 Cb 0.38 -5.11 -0.13 0.00 -1.84 0.00 0.00 35.03 28.33 2qqe n LYS 31 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qqe s LYS 32 N -5.62 1.85 0.12 1.97 1.02 -0.52 -5.06 119.74 113.49 2qqe s LYS 32 Ca 0.30 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 2qqe s LYS 32 Cb -0.13 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 2qqe s LYS 32 CO 0.38 0.51 1.24 0.21 -0.92 0.00 0.00 175.35 176.77 2qqe s LYS 33 N -1.55 4.43 0.23 1.68 2.47 -1.26 -4.51 119.74 121.23 2qqe s LYS 33 Ca 0.14 1.88 0.11 0.00 -1.56 0.00 0.00 55.97 56.54 2qqe s LYS 33 Cb -0.10 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.94 2qqe s LYS 33 CO 0.05 -0.24 -0.21 0.14 0.16 0.00 0.00 175.35 175.25 2qqe s VAL 34 N 0.65 2.48 -0.13 4.02 -7.23 -1.26 -1.95 120.40 116.98 2qqe s VAL 34 Ca 0.58 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2qqe s VAL 34 Cb -0.32 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2qqe s VAL 34 CO 0.32 -0.24 -0.18 0.00 -0.31 0.00 0.00 175.10 174.69 2qqe s ALA 35 N -2.04 1.96 -0.13 1.32 0.00 -0.18 -5.00 121.76 117.70 2qqe s ALA 35 Ca 0.25 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2qqe s ALA 35 Cb -0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2qqe s ALA 35 CO 0.13 -0.10 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 2qqe s VAL 36 N 0.98 3.97 0.10 0.00 1.01 -1.26 0.19 120.40 125.38 2qqe s VAL 36 Ca -0.05 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2qqe s VAL 36 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2qqe s VAL 36 CO -0.03 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.10 2qqe s PHE 37 N -0.10 1.30 0.02 5.22 0.08 0.84 -1.06 117.98 124.29 2qqe s PHE 37 Ca 0.02 -0.52 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 2qqe s PHE 37 Cb -0.13 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2qqe s PHE 37 CO 0.02 0.09 0.18 -1.59 -0.10 0.00 0.00 175.22 173.83 2qqe s LYS 38 N -2.27 0.63 0.67 0.44 -2.85 -0.33 -1.79 119.74 114.24 2qqe s LYS 38 Ca 0.04 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.37 2qqe s LYS 38 Cb -0.07 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 2qqe s LYS 38 CO 0.02 -0.17 1.06 -1.25 0.10 0.00 0.00 175.35 175.12 2qqe s PRO 39 N -2.12 3.18 -0.47 1.78 0.04 -1.26 -1.87 135.00 134.29 2qqe s PRO 39 Ca -0.09 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 2qqe s PRO 39 Cb -0.03 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 2qqe s PRO 39 CO -0.02 -0.84 1.74 1.17 0.04 0.00 0.00 177.00 179.09 2qqe n LYS 40 N -2.91 0.96 0.00 4.56 4.81 -1.04 -4.68 118.16 119.86 2qqe n LYS 40 Ca 0.07 -1.37 0.00 0.00 -0.87 0.00 0.00 58.31 56.14 2qqe n LYS 40 Cb 0.55 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.00 2qqe n LYS 40 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2qqe n ASN 56 N 7.12 0.00 -3.62 3.14 2.85 -1.26 -5.06 115.26 118.43 2qqe n ASN 56 Ca 0.42 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.76 2qqe n ASN 56 Cb 0.32 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.21 2qqe n ASN 56 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2qqe s GLY 57 N -0.20 -0.14 0.00 8.20 0.00 -1.26 -4.76 107.32 109.16 2qqe s GLY 57 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 2qqe s GLY 57 CO 0.00 2.08 0.00 1.55 0.00 0.00 0.00 173.10 176.73 2qqe n VAL 58 N 5.35 0.00 -0.35 1.40 3.14 -1.26 -4.97 118.33 121.64 2qqe n VAL 58 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2qqe n VAL 58 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 2qqe n VAL 58 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2qqe n GLU 59 N 0.00 0.00 -2.65 1.45 -0.58 -1.26 -5.04 120.64 112.55 2qqe n GLU 59 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2qqe n GLU 59 Cb 0.07 -0.38 -0.03 0.00 -0.57 0.00 0.00 31.44 30.53 2qqe n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qqe s ALA 60 N -2.04 3.26 0.13 0.62 0.00 -1.26 -4.68 121.76 117.79 2qqe s ALA 60 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 2qqe s ALA 60 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2qqe s ALA 60 CO 0.00 -0.37 1.29 -1.01 0.00 0.00 0.00 175.76 175.67 2qqe s HIS 61 N 1.31 3.33 -0.24 0.00 0.09 -0.22 -4.82 115.29 114.73 2qqe s HIS 61 Ca 0.52 1.18 -0.17 0.00 -0.00 0.00 0.00 55.06 56.59 2qqe s HIS 61 Cb -0.22 -3.56 -0.03 0.00 -0.00 0.00 0.00 32.58 28.78 2qqe s HIS 61 CO 0.26 -1.79 0.48 0.08 -0.00 0.00 0.00 174.74 173.77 2qqe s VAL 62 N 0.67 5.11 0.02 -0.90 1.01 -1.26 -1.19 120.40 123.87 2qqe s VAL 62 Ca 0.59 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2qqe s VAL 62 Cb -0.34 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2qqe s VAL 62 CO 0.33 0.13 -0.06 0.27 0.00 0.00 0.00 175.10 175.77 2qqe s ILE 63 N 2.03 0.43 -0.23 2.22 -4.36 -0.78 -4.88 121.20 115.64 2qqe s ILE 63 Ca 0.21 -0.74 -0.17 0.00 -0.26 0.00 0.00 60.65 59.69 2qqe s ILE 63 Cb -0.15 -0.47 -0.13 0.00 1.25 0.00 0.00 42.46 42.96 2qqe s ILE 63 CO 0.09 -0.22 -0.13 -0.62 0.24 0.00 0.00 174.94 174.31 2qqe n GLU 64 N 2.02 0.56 -4.03 0.37 1.02 -1.26 -2.49 120.64 116.83 2qqe n GLU 64 Ca -0.19 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.00 2qqe n GLU 64 Cb 0.56 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 2qqe n GLU 64 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qqe s ARG 65 N -2.47 3.26 0.42 3.49 0.52 -1.26 -4.74 118.95 118.17 2qqe s ARG 65 Ca -0.31 -0.31 0.15 0.00 -0.52 0.00 0.00 55.73 54.74 2qqe s ARG 65 Cb 0.09 -3.02 1.02 0.00 0.52 0.00 0.00 34.95 33.56 2qqe s ARG 65 CO 0.49 0.71 1.93 -1.35 0.02 0.00 0.00 175.30 177.10 2qqe h PRO 66 N 4.55 0.43 0.00 3.54 0.11 -1.92 -1.97 132.00 136.74 2qqe h PRO 66 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qqe h PRO 66 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qqe h PRO 66 CO 0.61 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 179.07 2qqe n GLU 67 N -4.48 0.02 0.00 1.05 4.71 -1.26 -1.11 120.64 119.57 2qqe n GLU 67 Ca 0.13 0.29 0.08 0.00 -0.01 0.00 0.00 57.16 57.65 2qqe n GLU 67 Cb 0.48 -1.54 0.37 0.00 -1.01 0.00 0.00 31.44 29.75 2qqe n GLU 67 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2qqe n GLU 68 N -1.57 0.08 -0.09 3.49 1.02 -0.74 -3.42 120.64 119.40 2qqe n GLU 68 Ca 0.03 0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 57.23 2qqe n GLU 68 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2qqe n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2qqe h MET 69 N 0.00 0.70 -0.97 3.49 2.86 -1.30 -3.25 114.93 116.46 2qqe h MET 69 Ca 0.00 -0.39 0.29 0.00 -2.06 0.00 0.00 59.70 57.54 2qqe h MET 69 Cb 0.24 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 31.78 2qqe h MET 69 CO 0.00 1.01 0.47 0.00 1.06 0.00 0.00 176.91 179.45 2qqe h ARG 70 N 0.43 0.30 -0.78 1.72 3.08 -1.78 0.15 114.38 117.50 2qqe h ARG 70 Ca 0.04 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.22 2qqe h ARG 70 Cb 0.91 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 2qqe h ARG 70 CO 0.08 0.20 0.52 0.87 -1.07 0.00 0.00 179.97 180.56 2qqe h LYS 71 N 0.30 0.43 -0.22 0.04 1.79 -1.80 -2.77 116.57 114.34 2qqe h LYS 71 Ca 0.67 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 2qqe h LYS 71 Cb 1.48 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2qqe h LYS 71 CO -0.62 0.29 0.00 0.66 -1.08 0.00 0.00 179.45 178.70 2qqe n TYR 72 N -4.49 0.27 -3.62 -1.35 4.01 0.50 -4.83 117.16 107.65 2qqe n TYR 72 Ca 0.15 -0.13 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 2qqe n TYR 72 Cb 0.53 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.45 2qqe n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qqe s ILE 73 N -1.73 4.31 0.77 -0.72 1.01 -1.05 -4.89 121.20 118.89 2qqe s ILE 73 Ca 0.34 -1.13 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 2qqe s ILE 73 Cb 0.22 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 39.28 2qqe s ILE 73 CO 0.31 -0.34 1.08 -1.61 0.00 0.00 0.00 174.94 174.38 2qqe s GLU 74 N 1.48 1.78 0.54 2.79 8.01 -1.26 -4.96 118.70 127.08 2qqe s GLU 74 Ca 0.02 -0.40 0.30 0.00 0.01 0.00 0.00 54.97 54.89 2qqe s GLU 74 Cb -0.21 -2.12 1.52 0.00 -4.31 0.00 0.00 34.13 29.01 2qqe s GLU 74 CO 0.04 -1.54 2.08 1.49 0.01 0.00 0.00 175.26 177.35 2qqe h GLU 75 N -0.83 0.00 -0.71 1.61 4.57 -2.00 -2.39 114.58 114.84 2qqe h GLU 75 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2qqe h GLU 75 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2qqe h GLU 75 CO 0.53 0.10 0.00 -0.40 -1.18 0.00 0.00 179.01 178.06 2qqe n ASP 76 N -3.52 4.20 -4.67 1.04 5.75 -1.26 -4.95 116.55 113.13 2qqe n ASP 76 Ca -0.02 -2.16 -0.42 0.00 -0.01 0.00 0.00 54.79 52.18 2qqe n ASP 76 Cb 0.23 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.78 2qqe n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qqe s THR 77 N -1.33 3.37 -0.08 2.12 2.01 -0.90 -4.20 115.64 116.64 2qqe s THR 77 Ca 0.49 0.64 0.09 0.00 0.31 0.00 0.00 61.69 63.23 2qqe s THR 77 Cb 0.28 -3.41 -0.14 0.00 0.01 0.00 0.00 72.50 69.24 2qqe s THR 77 CO 0.30 -0.03 0.24 0.54 -0.69 0.00 0.00 174.62 174.98 2qqe n ARG 78 N 6.38 0.89 -3.82 4.92 5.12 -0.82 -4.81 116.66 124.51 2qqe n ARG 78 Ca 0.16 -0.07 -0.12 0.00 -1.93 0.00 0.00 57.85 55.89 2qqe n ARG 78 Cb 0.42 -1.18 -0.12 0.00 -1.16 0.00 0.00 32.46 30.42 2qqe n ARG 78 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qqe s GLY 79 N -2.90 -0.10 -0.10 -0.13 0.00 -1.20 -2.10 107.32 100.80 2qqe s GLY 79 Ca -0.02 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.09 2qqe s GLY 79 CO 0.39 0.31 -0.11 0.14 0.00 0.00 0.00 173.10 173.83 2qqe s VAL 80 N -0.08 1.18 -0.10 1.40 1.01 -0.45 -1.01 120.40 122.35 2qqe s VAL 80 Ca -0.02 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2qqe s VAL 80 Cb -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2qqe s VAL 80 CO 0.00 0.38 -0.20 -0.36 0.00 0.00 0.00 175.10 174.93 2qqe s PHE 81 N 1.16 2.24 -0.17 5.22 0.08 0.13 -1.19 117.98 125.45 2qqe s PHE 81 Ca -0.05 -0.97 -0.01 0.00 0.12 0.00 0.00 56.93 56.03 2qqe s PHE 81 Cb -0.14 -1.54 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2qqe s PHE 81 CO -0.03 -0.43 -0.05 0.42 -0.10 0.00 0.00 175.22 175.03 2qqe s ILE 82 N 0.61 1.11 0.44 0.64 1.01 -0.22 -0.11 121.20 124.68 2qqe s ILE 82 Ca -0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2qqe s ILE 82 Cb -0.17 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2qqe s ILE 82 CO 0.04 0.09 0.75 -0.62 0.00 0.00 0.00 174.94 175.20 2qqe s ASP 83 N 1.63 6.35 -1.56 3.58 2.15 -0.74 -1.38 116.67 126.69 2qqe s ASP 83 Ca 0.00 0.93 -0.06 0.00 0.43 0.00 0.00 52.55 53.85 2qqe s ASP 83 Cb -0.16 -2.24 0.06 0.00 -0.30 0.00 0.00 42.92 40.28 2qqe s ASP 83 CO -0.08 -0.48 0.39 -0.62 -0.17 0.00 0.00 175.17 174.21 2qqe n GLU 84 N -1.86 -2.27 0.28 4.34 -0.58 -0.20 -4.32 120.64 116.03 2qqe n GLU 84 Ca 0.00 0.27 0.13 0.00 -0.42 0.00 0.00 57.16 57.15 2qqe n GLU 84 Cb 0.55 -4.38 0.71 0.00 -0.57 0.00 0.00 31.44 27.75 2qqe n GLU 84 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2qqe h VAL 85 N -1.65 0.00 0.00 2.62 -1.51 -1.50 -2.84 116.25 111.37 2qqe h VAL 85 Ca -0.63 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2qqe h VAL 85 Cb 1.39 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2qqe h VAL 85 CO 0.71 0.00 -0.02 0.06 -1.23 0.00 0.00 177.57 177.09 2qqe h GLN 86 N 0.00 0.00 0.00 5.19 -0.00 -1.83 -2.23 115.11 116.23 2qqe h GLN 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qqe h GLN 86 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.06 2qqe h GLN 86 CO 0.00 0.02 -0.51 1.19 -0.00 0.00 0.00 178.83 179.53 2qqe n PHE 87 N -3.27 0.11 -2.90 0.06 3.72 -1.07 -4.73 117.46 109.39 2qqe n PHE 87 Ca -0.02 0.03 -0.36 0.00 -0.05 0.00 0.00 57.45 57.05 2qqe n PHE 87 Cb 0.15 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 38.28 2qqe n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qqe s PHE 88 N -3.04 3.60 0.29 1.38 0.08 -0.84 -5.02 117.98 114.43 2qqe s PHE 88 Ca 0.10 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.48 2qqe s PHE 88 Cb 0.17 -2.80 -0.14 0.00 -0.57 0.00 0.00 43.02 39.67 2qqe s PHE 88 CO 0.70 0.19 1.04 -1.71 -0.10 0.00 0.00 175.22 175.34 2qqe n ASN 89 N 0.36 1.42 0.17 1.36 2.85 -1.26 -4.71 115.26 115.45 2qqe n ASN 89 Ca 0.02 1.18 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 2qqe n ASN 89 Cb 0.51 -1.30 0.57 0.00 1.24 0.00 0.00 39.78 40.81 2qqe n ASN 89 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2qqe h PRO 90 N 2.14 0.00 0.00 1.20 0.11 -1.95 -1.63 132.00 131.87 2qqe h PRO 90 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2qqe h PRO 90 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2qqe h PRO 90 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 2qqe n SER 91 N -2.26 0.00 -0.02 -2.05 3.41 -1.26 -1.21 113.62 110.22 2qqe n SER 91 Ca -0.01 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.11 2qqe n SER 91 Cb 0.09 -0.44 0.50 0.00 -0.26 0.00 0.00 64.21 64.10 2qqe n SER 91 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qqe h LEU 92 N 0.00 0.34 -0.19 1.04 5.85 -1.65 -2.64 115.31 118.06 2qqe h LEU 92 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2qqe h LEU 92 Cb 0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2qqe h LEU 92 CO 0.00 0.22 -0.04 0.15 -0.34 0.00 0.00 178.44 178.43 2qqe h PHE 93 N 0.39 -0.09 -0.35 1.25 3.57 -1.43 0.20 116.94 120.48 2qqe h PHE 93 Ca 0.21 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 2qqe h PHE 93 Cb 0.35 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2qqe h PHE 93 CO -0.00 -0.08 -0.36 0.93 -2.23 0.00 0.00 178.31 176.57 2qqe h GLU 94 N 0.00 0.81 -0.66 1.11 4.39 -1.74 -2.49 114.58 116.01 2qqe h GLU 94 Ca 0.09 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 2qqe h GLU 94 Cb 0.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2qqe h GLU 94 CO -0.19 1.04 0.35 0.28 -1.16 0.00 0.00 179.01 179.33 2qqe h VAL 95 N 0.67 1.20 -0.10 3.13 2.07 -1.13 -2.45 116.25 119.65 2qqe h VAL 95 Ca 0.06 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 2qqe h VAL 95 Cb 0.92 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2qqe h VAL 95 CO 0.08 0.23 -0.51 0.58 0.02 0.00 0.00 177.57 177.97 2qqe h VAL 96 N 0.92 1.37 -0.83 2.57 2.07 -0.89 -2.84 116.25 118.61 2qqe h VAL 96 Ca 0.23 -1.84 0.17 0.00 0.82 0.00 0.00 66.70 66.08 2qqe h VAL 96 Cb 0.04 2.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.92 2qqe h VAL 96 CO -0.04 0.55 0.37 0.50 0.02 0.00 0.00 177.57 178.98 2qqe h LYS 97 N 0.11 0.48 -0.62 1.57 3.64 -1.36 -1.16 116.57 119.24 2qqe h LYS 97 Ca -0.04 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2qqe h LYS 97 Cb 1.16 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2qqe h LYS 97 CO 0.11 0.32 0.10 0.22 -2.27 0.00 0.00 179.45 177.93 2qqe h ASP 98 N 0.49 0.98 -0.32 4.20 3.58 -1.34 -1.35 116.42 122.67 2qqe h ASP 98 Ca 0.47 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 2qqe h ASP 98 Cb 0.76 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2qqe h ASP 98 CO -0.43 0.99 0.11 -0.07 -2.88 0.00 0.00 179.24 176.96 2qqe h LEU 99 N 0.93 0.47 -0.14 2.28 3.38 -1.15 -2.20 115.31 118.87 2qqe h LEU 99 Ca 0.19 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qqe h LEU 99 Cb 0.42 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qqe h LEU 99 CO 0.01 0.54 -0.03 -0.07 0.09 0.00 0.00 178.44 178.98 2qqe h LEU 100 N 0.37 -0.13 -2.46 1.67 3.38 -1.06 -0.30 115.31 116.77 2qqe h LEU 100 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qqe h LEU 100 Cb 0.24 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qqe h LEU 100 CO -0.00 -0.04 -0.00 0.44 0.09 0.00 0.00 178.44 178.92 2qqe h ASP 101 N 0.00 0.00 0.05 -0.43 3.32 -1.15 0.11 116.42 118.32 2qqe h ASP 101 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2qqe h ASP 101 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2qqe h ASP 101 CO -0.14 0.00 -0.07 0.54 -1.72 0.00 0.00 179.24 177.85 2qqe n ARG 102 N -3.83 1.49 -0.63 3.56 1.74 -0.52 -4.89 116.66 113.58 2qqe n ARG 102 Ca -0.03 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 2qqe n ARG 102 Cb 0.09 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2qqe n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqe n GLY 103 N 1.23 0.62 3.61 -0.13 0.00 -0.25 -4.92 105.19 105.35 2qqe n GLY 103 Ca 0.17 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 2qqe n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqe s ILE 104 N -2.00 5.28 0.41 -0.61 1.01 -0.24 -4.29 121.20 120.76 2qqe s ILE 104 Ca 0.00 0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 2qqe s ILE 104 Cb 0.00 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 2qqe s ILE 104 CO 0.00 0.24 1.07 -1.81 0.00 0.00 0.00 174.94 174.44 2qqe s ASP 105 N 1.62 6.64 -0.05 3.58 1.01 -0.89 -3.74 116.67 124.83 2qqe s ASP 105 Ca 0.09 2.10 0.03 0.00 0.71 0.00 0.00 52.55 55.48 2qqe s ASP 105 Cb -0.16 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.19 2qqe s ASP 105 CO 0.10 -0.58 -0.11 -0.69 0.21 0.00 0.00 175.17 174.10 2qqe s VAL 106 N -1.63 1.02 -0.10 -1.27 1.01 -0.60 -1.35 120.40 117.49 2qqe s VAL 106 Ca 0.59 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2qqe s VAL 106 Cb -0.23 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 2qqe s VAL 106 CO 0.29 0.32 -0.22 -0.36 0.00 0.00 0.00 175.10 175.13 2qqe s PHE 107 N 0.42 2.59 0.02 5.22 0.08 -0.33 -1.29 117.98 124.68 2qqe s PHE 107 Ca -0.09 -0.94 0.06 0.00 0.12 0.00 0.00 56.93 56.08 2qqe s PHE 107 Cb -0.13 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2qqe s PHE 107 CO 0.02 -0.36 -0.17 0.00 -0.10 0.00 0.00 175.22 174.62 2qqe s ALA 109 N -0.65 1.02 0.14 0.00 0.00 -0.48 -0.51 121.76 121.29 2qqe s ALA 109 Ca 0.05 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 2qqe s ALA 109 Cb -0.07 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.74 2qqe s ALA 109 CO 0.01 0.16 0.99 0.20 0.00 0.00 0.00 175.76 177.12 2qqe s GLY 110 N 0.21 -0.25 0.18 0.00 0.00 -0.66 -1.03 107.32 105.77 2qqe s GLY 110 Ca -0.04 0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 2qqe s GLY 110 CO 0.01 0.01 1.13 1.08 0.00 0.00 0.00 173.10 175.34 2qqe s LEU 111 N -2.94 4.47 -0.02 0.66 1.43 -1.26 -3.67 118.68 117.35 2qqe s LEU 111 Ca 0.12 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.23 2qqe s LEU 111 Cb -0.01 -3.60 -0.33 0.00 0.03 0.00 0.00 46.19 42.28 2qqe s LEU 111 CO 0.02 -0.27 0.80 -2.24 0.23 0.00 0.00 176.35 174.89 2qqe h ASP 112 N 5.16 0.72 -3.79 2.29 2.03 -1.94 -3.43 116.42 117.45 2qqe h ASP 112 Ca -0.44 -0.93 -0.53 0.00 -0.73 0.00 0.00 57.03 54.39 2qqe h ASP 112 Cb 1.21 -0.24 -0.19 0.00 -0.83 0.00 0.00 39.33 39.29 2qqe h ASP 112 CO 0.73 1.76 -0.80 -0.76 -1.03 0.00 0.00 179.24 179.15 2qqe s LEU 113 N -7.43 2.39 1.00 0.15 1.43 -1.26 -2.00 118.68 112.95 2qqe s LEU 113 Ca -0.13 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 2qqe s LEU 113 Cb 0.05 -0.84 0.20 0.00 0.03 0.00 0.00 46.19 45.63 2qqe s LEU 113 CO 0.89 -0.01 1.21 0.42 0.23 0.00 0.00 176.35 179.10 2qqe s THR 114 N -1.74 1.90 0.64 5.49 -4.23 0.51 -4.86 115.64 113.35 2qqe s THR 114 Ca 0.12 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 61.02 2qqe s THR 114 Cb -0.07 -2.80 0.41 0.00 1.34 0.00 0.00 72.50 71.38 2qqe s THR 114 CO 0.06 0.00 2.31 1.12 -0.54 0.00 0.00 174.62 177.57 2qqe h HIS 115 N -1.81 0.00 -0.51 3.99 2.07 -1.87 -1.20 115.15 115.81 2qqe h HIS 115 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2qqe h HIS 115 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2qqe h HIS 115 CO -0.92 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 175.57 2qqe n LYS 116 N -3.35 2.42 -2.04 5.12 5.02 -1.26 -4.59 118.16 119.48 2qqe n LYS 116 Ca -0.03 -1.93 -0.18 0.00 -2.02 0.00 0.00 58.31 54.15 2qqe n LYS 116 Cb 0.09 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2qqe n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qqe n GLN 117 N 0.96 -1.39 -3.09 1.97 6.02 -0.45 -5.03 117.38 116.36 2qqe n GLN 117 Ca 0.18 0.99 -0.36 0.00 -0.01 0.00 0.00 57.00 57.80 2qqe n GLN 117 Cb 0.50 -5.42 -0.06 0.00 1.02 0.00 0.00 30.24 26.29 2qqe n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qqe s ASN 118 N -2.41 7.02 0.53 1.08 0.02 -1.26 -4.79 114.94 115.13 2qqe s ASN 118 Ca 0.00 1.42 -0.19 0.00 -1.02 0.00 0.00 52.86 53.07 2qqe s ASN 118 Cb 0.00 -2.42 -0.06 0.00 0.02 0.00 0.00 41.25 38.79 2qqe s ASN 118 CO 0.00 -0.01 1.09 -2.16 0.02 0.00 0.00 177.10 176.04 2qqe s PRO 119 N -2.15 3.48 -0.17 -0.60 0.04 -1.26 -0.37 135.00 133.97 2qqe s PRO 119 Ca 0.45 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 2qqe s PRO 119 Cb -0.16 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2qqe s PRO 119 CO 0.20 -0.72 0.86 -0.06 0.04 0.00 0.00 177.00 177.32 2qqe s PHE 120 N -1.91 3.42 0.23 0.56 0.08 -0.85 -4.77 117.98 114.74 2qqe s PHE 120 Ca 0.70 1.30 0.02 0.00 0.12 0.00 0.00 56.93 59.07 2qqe s PHE 120 Cb -0.21 -3.04 0.24 0.00 -0.57 0.00 0.00 43.02 39.44 2qqe s PHE 120 CO 0.26 -0.25 1.57 1.49 -0.10 0.00 0.00 175.22 178.18 2qqe h GLU 121 N 7.32 0.35 -0.23 0.44 4.81 -1.91 -0.26 114.58 125.09 2qqe h GLU 121 Ca -0.29 -0.22 -0.20 0.00 -0.13 0.00 0.00 59.36 58.53 2qqe h GLU 121 Cb 1.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2qqe h GLU 121 CO 0.85 0.81 -0.63 1.15 -0.73 0.00 0.00 179.01 180.45 2qqe h THR 122 N 0.27 1.28 -0.49 0.32 2.02 -1.84 -1.65 112.91 112.81 2qqe h THR 122 Ca 0.00 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 2qqe h THR 122 Cb 1.05 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 2qqe h THR 122 CO 0.09 0.59 0.23 0.74 0.37 0.00 0.00 175.52 177.54 2qqe h THR 123 N 0.60 1.19 -0.68 3.16 2.02 -1.74 -2.52 112.91 114.94 2qqe h THR 123 Ca -0.01 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 2qqe h THR 123 Cb 1.24 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 2qqe h THR 123 CO 0.13 0.22 0.24 0.00 0.37 0.00 0.00 175.52 176.48 2qqe h ALA 124 N 1.07 1.14 -0.43 6.16 0.00 -0.73 -0.54 119.26 125.94 2qqe h ALA 124 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qqe h ALA 124 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qqe h ALA 124 CO -0.02 0.60 0.15 -0.07 0.00 0.00 0.00 179.25 179.91 2qqe h LEU 125 N 0.99 0.61 -0.47 0.00 3.38 -1.18 -2.50 115.31 116.14 2qqe h LEU 125 Ca 0.22 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2qqe h LEU 125 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qqe h LEU 125 CO -0.01 0.64 -0.20 -0.07 0.09 0.00 0.00 178.44 178.88 2qqe h LEU 126 N 0.55 0.99 -0.89 1.67 3.38 -1.32 -2.10 115.31 117.59 2qqe h LEU 126 Ca 0.14 -0.39 0.22 0.00 0.09 0.00 0.00 57.88 57.93 2qqe h LEU 126 Cb 0.23 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 40.59 2qqe h LEU 126 CO -0.01 1.16 0.38 -0.07 0.09 0.00 0.00 178.44 179.99 2qqe h LEU 127 N 0.81 0.31 -1.02 1.67 3.38 -0.99 -0.62 115.31 118.85 2qqe h LEU 127 Ca 0.11 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2qqe h LEU 127 Cb 0.78 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2qqe h LEU 127 CO 0.06 -0.00 -0.32 0.77 0.09 0.00 0.00 178.44 179.04 2qqe h SER 128 N 0.39 0.00 1.30 -0.43 4.64 -0.93 -3.01 113.55 115.52 2qqe h SER 128 Ca 0.55 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.85 2qqe h SER 128 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2qqe h SER 128 CO -0.53 0.32 -0.71 0.25 -0.87 0.00 0.00 176.83 175.30 2qqe h LEU 129 N 0.00 0.00-10.00 5.97 5.85 -0.95 -3.48 115.31 112.70 2qqe h LEU 129 Ca -0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 2qqe h LEU 129 Cb 0.83 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.98 2qqe h LEU 129 CO 0.04 0.08 0.65 0.00 -0.34 0.00 0.00 178.44 178.88 2qqe s ALA 130 N -3.25 3.11 -0.02 1.25 0.00 -0.35 -4.82 121.76 117.68 2qqe s ALA 130 Ca 0.02 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.30 2qqe s ALA 130 Cb 0.08 -3.56 -0.28 0.00 0.00 0.00 0.00 23.12 19.35 2qqe s ALA 130 CO 0.75 -1.17 0.76 -0.44 0.00 0.00 0.00 175.76 175.67 2qqe h ASP 131 N 2.12 0.46 -3.96 0.00 3.32 -1.30 -3.47 116.42 113.59 2qqe h ASP 131 Ca -0.51 -0.67 -0.42 0.00 0.02 0.00 0.00 57.03 55.45 2qqe h ASP 131 Cb 1.27 -0.15 -0.30 0.00 0.22 0.00 0.00 39.33 40.38 2qqe h ASP 131 CO 0.60 1.57 -0.79 -0.89 -1.72 0.00 0.00 179.24 178.01 2qqe s THR 132 N -2.60 0.81 -0.07 0.35 2.01 -1.04 -5.04 115.64 110.06 2qqe s THR 132 Ca -0.12 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2qqe s THR 132 Cb 0.06 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.88 2qqe s THR 132 CO 0.85 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.14 2qqe s VAL 133 N -0.05 1.58 -0.29 3.82 1.01 -1.26 -1.23 120.40 123.98 2qqe s VAL 133 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2qqe s VAL 133 Cb -0.06 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qqe s VAL 133 CO 0.00 0.45 -0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2qqe s ILE 134 N 0.31 3.01 -0.18 2.22 1.01 0.15 -4.96 121.20 122.76 2qqe s ILE 134 Ca -0.12 -1.26 -0.16 0.00 0.00 0.00 0.00 60.65 59.11 2qqe s ILE 134 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2qqe s ILE 134 CO 0.05 -0.02 0.40 -0.54 0.00 0.00 0.00 174.94 174.83 2qqe s LYS 135 N 1.28 4.22 -0.04 2.79 -0.14 -1.26 -0.28 119.74 126.32 2qqe s LYS 135 Ca -0.03 0.24 0.01 0.00 -1.36 0.00 0.00 55.97 54.82 2qqe s LYS 135 Cb -0.19 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.43 2qqe s LYS 135 CO -0.02 0.05 -0.03 0.15 -0.76 0.00 0.00 175.35 174.74 2qqe s LYS 136 N 1.03 2.79 0.16 1.68 -0.14 0.17 -4.93 119.74 120.50 2qqe s LYS 136 Ca 0.20 -0.56 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 2qqe s LYS 136 Cb -0.14 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 2qqe s LYS 136 CO 0.08 0.65 0.22 0.15 -0.76 0.00 0.00 175.35 175.69 2qqe s LYS 137 N -1.18 3.19 0.40 1.68 1.02 -1.26 -4.14 119.74 119.45 2qqe s LYS 137 Ca 0.16 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.49 2qqe s LYS 137 Cb -0.11 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.31 2qqe s LYS 137 CO 0.06 0.50 0.06 0.00 -0.92 0.00 0.00 175.35 175.05 2qqe s ALA 138 N -1.76 3.30 0.14 5.17 0.00 -0.60 -4.50 121.76 123.51 2qqe s ALA 138 Ca 0.33 -2.19 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 2qqe s ALA 138 Cb -0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 2qqe s ALA 138 CO 0.26 -0.10 1.09 0.08 0.00 0.00 0.00 175.76 177.09 2qqe s VAL 139 N -2.65 4.05 0.01 0.00 1.01 -1.26 -1.08 120.40 120.48 2qqe s VAL 139 Ca 0.37 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 2qqe s VAL 139 Cb 0.06 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2qqe s VAL 139 CO 0.20 0.25 1.27 0.00 0.00 0.00 0.00 175.10 176.81 2qqe h HIS 141 N 7.31 0.74 0.00 0.00 2.76 -1.25 0.24 115.15 124.96 2qqe h HIS 141 Ca -0.38 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 57.55 2qqe h HIS 141 Cb 1.19 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 2qqe h HIS 141 CO 0.71 0.97 -0.00 -0.09 -1.30 0.00 0.00 177.93 178.22 2qqe h ARG 142 N 0.48 0.00 0.00 5.26 2.43 -1.91 -3.40 114.38 117.24 2qqe h ARG 142 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2qqe h ARG 142 Cb 1.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2qqe h ARG 142 CO 0.09 0.39 -1.02 0.00 -1.51 0.00 0.00 179.97 177.92 2qqe n GLY 144 N 1.19 0.50 3.88 0.00 0.00 0.84 -4.99 105.19 106.62 2qqe n GLY 144 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2qqe n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqe s GLU 145 N -0.16 3.68 -1.35 1.61 0.41 -1.26 -4.62 118.70 117.01 2qqe s GLU 145 Ca 0.00 0.53 -0.14 0.00 -0.41 0.00 0.00 54.97 54.94 2qqe s GLU 145 Cb 0.00 -2.27 0.09 0.00 -1.78 0.00 0.00 34.13 30.17 2qqe s GLU 145 CO 0.00 -0.26 1.91 0.98 -0.49 0.00 0.00 175.26 177.40 2qqe n TYR 146 N -2.00 3.99 -1.96 1.61 9.36 -1.26 -0.54 117.16 126.36 2qqe n TYR 146 Ca 0.03 -2.95 0.00 0.00 3.32 0.00 0.00 57.90 58.30 2qqe n TYR 146 Cb 0.54 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 2qqe n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qqe n ASN 147 N 6.41 0.00 -4.71 2.98 6.94 -1.17 -4.97 115.26 120.73 2qqe n ASN 147 Ca 0.47 -1.02 -0.41 0.00 -0.02 0.00 0.00 54.58 53.59 2qqe n ASN 147 Cb 0.41 -0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.79 2qqe n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qqe s ALA 148 N 0.00 3.23 0.00 -2.53 0.00 -0.24 -4.45 121.76 117.77 2qqe s ALA 148 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2qqe s ALA 148 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2qqe s ALA 148 CO 0.00 -0.21 0.09 0.25 0.00 0.00 0.00 175.76 175.89 2qqe n THR 149 N 3.89 0.00 -4.27 0.00 -2.24 -0.51 -1.55 114.28 109.60 2qqe n THR 149 Ca 0.04 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 2qqe n THR 149 Cb 0.51 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.71 2qqe n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qqe s LEU 150 N -1.00 2.41 -0.17 3.22 1.43 -0.70 -4.13 118.68 119.74 2qqe s LEU 150 Ca 0.00 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2qqe s LEU 150 Cb 0.00 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 2qqe s LEU 150 CO 0.00 -0.11 -0.06 -0.89 0.23 0.00 0.00 176.35 175.52 2qqe s THR 151 N -2.09 3.54 -0.10 5.49 2.01 -1.26 -0.82 115.64 122.42 2qqe s THR 151 Ca 0.11 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2qqe s THR 151 Cb -0.05 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2qqe s THR 151 CO 0.04 0.48 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.16 2qqe s LEU 152 N 0.71 3.16 0.03 4.42 2.96 0.12 -4.24 118.68 125.85 2qqe s LEU 152 Ca -0.03 -0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 2qqe s LEU 152 Cb -0.15 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 2qqe s LEU 152 CO 0.02 0.29 0.62 -0.75 -1.32 0.00 0.00 176.35 175.21 2qqe s LYS 153 N -0.36 4.33 0.00 1.98 2.20 -1.26 -0.46 119.74 126.16 2qqe s LYS 153 Ca 0.05 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 2qqe s LYS 153 Cb -0.12 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2qqe s LYS 153 CO 0.02 0.44 0.36 1.33 -0.36 0.00 0.00 175.35 177.14 2qqe n VAL 154 N 2.40 0.08 -2.89 4.02 0.24 -0.08 -4.98 118.33 117.12 2qqe n VAL 154 Ca -0.07 -0.32 -0.02 0.00 -2.04 0.00 0.00 64.34 61.89 2qqe n VAL 154 Cb 0.51 1.33 0.01 0.00 -1.47 0.00 0.00 33.84 34.21 2qqe n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qqe s ALA 155 N -0.08 -2.67 0.00 2.33 0.00 -1.24 -4.98 121.76 115.12 2qqe s ALA 155 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2qqe s ALA 155 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2qqe s ALA 155 CO 0.00 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 173.88 2qqe n GLY 157 N 3.42 -2.66 1.84 0.00 0.00 -1.26 -4.87 105.19 101.66 2qqe n GLY 157 Ca 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2qqe n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qqe n GLU 158 N 0.46 3.35 -2.27 1.61 -0.58 -1.26 -4.94 120.64 117.02 2qqe n GLU 158 Ca 0.00 -2.63 -0.40 0.00 -0.42 0.00 0.00 57.16 53.71 2qqe n GLU 158 Cb 0.00 -2.09 -0.03 0.00 -0.57 0.00 0.00 31.44 28.75 2qqe n GLU 158 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2qqe s GLU 159 N -2.63 4.41 -0.01 3.49 8.01 -1.26 -4.98 118.70 125.73 2qqe s GLU 159 Ca 0.47 2.02 -0.06 0.00 0.01 0.00 0.00 54.97 57.41 2qqe s GLU 159 Cb 0.38 -3.05 -0.29 0.00 -4.31 0.00 0.00 34.13 26.85 2qqe s GLU 159 CO 0.12 -0.06 0.79 0.93 0.01 0.00 0.00 175.26 177.05 2qqe h GLU 160 N 3.42 0.30 -4.86 1.61 4.39 -2.05 -3.42 114.58 113.97 2qqe h GLU 160 Ca -0.48 -0.51 -0.66 0.00 0.34 0.00 0.00 59.36 58.04 2qqe h GLU 160 Cb 1.22 0.19 -0.23 0.00 -0.10 0.00 0.00 28.75 29.84 2qqe h GLU 160 CO 0.65 1.18 -0.59 0.96 -1.16 0.00 0.00 179.01 180.05 2qqe s ILE 161 N -2.60 4.42 -0.30 3.13 -0.00 -1.26 -4.81 121.20 119.79 2qqe s ILE 161 Ca -0.11 -0.32 -0.11 0.00 -0.00 0.00 0.00 60.65 60.11 2qqe s ILE 161 Cb 0.06 -3.17 0.18 0.00 -0.00 0.00 0.00 42.46 39.54 2qqe s ILE 161 CO 0.85 0.20 1.02 -1.81 -0.00 0.00 0.00 174.94 175.20 2qqe s ASP 162 N 1.61 -0.51 0.61 4.36 -0.00 -1.26 -5.17 116.67 116.30 2qqe s ASP 162 Ca 0.05 0.14 -0.19 0.00 -0.00 0.00 0.00 52.55 52.55 2qqe s ASP 162 Cb -0.16 1.35 -0.03 0.00 -0.00 0.00 0.00 42.92 44.08 2qqe s ASP 162 CO 0.05 -0.09 1.17 1.33 -0.00 0.00 0.00 175.17 177.63 2qqe n VAL 163 N 5.25 4.23 0.00 -1.27 0.24 -1.26 -5.01 118.33 120.51 2qqe n VAL 163 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2qqe n VAL 163 Cb 0.56 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2qqe n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qqe n GLY 164 N 1.04 -0.18 0.00 7.63 0.00 -1.26 -5.05 105.19 107.37 2qqe n GLY 164 Ca 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qqe n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqe n GLY 165 N -0.63 4.40 0.33 -0.02 0.00 -1.26 -4.95 105.19 103.06 2qqe n GLY 165 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.14 2qqe n GLY 165 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qqe h GLN 166 N 0.00 0.77 0.00 1.61 3.07 -2.03 -1.39 115.11 117.14 2qqe h GLN 166 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2qqe h GLN 166 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.39 2qqe h GLN 166 CO 0.00 0.51 0.08 1.05 0.09 0.00 0.00 178.83 180.56 2qqe h GLU 167 N 0.79 0.00 0.00 0.06 9.09 -2.03 -3.33 114.58 119.16 2qqe h GLU 167 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 2qqe h GLU 167 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2qqe h GLU 167 CO -0.05 0.00 -0.40 1.17 0.05 0.00 0.00 179.01 179.77 2qqe n LYS 168 N -2.56 3.05 -3.99 1.06 4.81 -0.59 -4.53 118.16 115.41 2qqe n LYS 168 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.30 2qqe n LYS 168 Cb 0.12 -0.70 -0.13 0.00 0.02 0.00 0.00 35.03 34.34 2qqe n LYS 168 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2qqe s TYR 169 N -0.97 0.26 0.05 5.64 2.02 -0.78 -0.90 117.35 122.66 2qqe s TYR 169 Ca 0.00 -0.21 0.04 0.00 -0.37 0.00 0.00 57.07 56.53 2qqe s TYR 169 Cb 0.00 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2qqe s TYR 169 CO 0.00 -0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 174.21 2qqe s ILE 170 N -0.55 1.00 -0.06 2.71 1.09 0.39 -4.38 121.20 121.40 2qqe s ILE 170 Ca -0.05 -1.07 -0.12 0.00 -1.10 0.00 0.00 60.65 58.32 2qqe s ILE 170 Cb -0.04 -0.94 -0.05 0.00 -1.06 0.00 0.00 42.46 40.36 2qqe s ILE 170 CO -0.00 -0.11 0.29 0.00 -0.10 0.00 0.00 174.94 175.02 2qqe s ALA 171 N -1.01 3.76 0.07 9.38 0.00 -1.26 0.15 121.76 132.85 2qqe s ALA 171 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2qqe s ALA 171 Cb -0.08 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2qqe s ALA 171 CO 0.01 0.49 0.04 0.14 0.00 0.00 0.00 175.76 176.45 2qqe s VAL 172 N -0.90 0.18 0.73 0.00 -7.23 0.00 -0.68 120.40 112.51 2qqe s VAL 172 Ca 0.20 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 2qqe s VAL 172 Cb -0.15 -1.56 0.04 0.00 0.56 0.00 0.00 36.38 35.28 2qqe s VAL 172 CO 0.09 -0.82 1.09 0.00 -0.31 0.00 0.00 175.10 175.15 2qqe h ARG 174 N -0.74 0.56 -0.33 0.00 2.43 -1.97 -0.77 114.38 113.56 2qqe h ARG 174 Ca -0.45 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2qqe h ARG 174 Cb 1.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2qqe h ARG 174 CO 0.64 0.37 0.18 -0.44 -1.51 0.00 0.00 179.97 179.20 2qqe h ASP 175 N 0.58 0.42 -0.53 -3.80 3.32 -1.98 -2.19 116.42 112.25 2qqe h ASP 175 Ca 0.31 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 2qqe h ASP 175 Cb 0.29 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2qqe h ASP 175 CO -0.24 0.40 -0.09 0.00 -1.72 0.00 0.00 179.24 177.60 2qqe h TYR 177 N 0.90 -1.56 0.00 0.00 3.20 -0.92 0.51 116.97 119.09 2qqe h TYR 177 Ca 0.15 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2qqe h TYR 177 Cb 0.64 0.72 -0.00 0.00 1.54 0.00 0.00 36.73 39.63 2qqe h TYR 177 CO 0.04 -0.51 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.09 2qqe h ASN 178 N -0.49 0.00 -0.05 -2.11 2.35 -1.35 0.21 115.58 114.14 2qqe h ASN 178 Ca 0.06 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.59 2qqe h ASN 178 Cb 0.64 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.02 2qqe h ASN 178 CO -0.50 0.05 -0.82 0.74 -1.65 0.00 0.00 177.43 175.24 2qqe h THR 179 N 0.00 1.31 0.00 2.81 2.02 -0.70 -3.29 112.91 115.07 2qqe h THR 179 Ca -0.00 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 2qqe h THR 179 Cb 0.37 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2qqe h THR 179 CO 0.01 0.64 -0.16 -0.07 0.37 0.00 0.00 175.52 176.31 2qqe h LEU 180 N 0.31 0.00 -0.26 2.58 3.38 -0.26 -3.51 115.31 117.55 2qqe h LEU 180 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qqe h LEU 180 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2qqe h LEU 180 CO 0.17 0.07 0.00 0.29 0.09 0.00 0.00 178.44 179.05