#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou n ARG 3 N 0.00 0.18 -1.11 -0.14 0.63 -1.26 -4.97 116.66 109.98 2qou n ARG 3 Ca 0.00 -0.05 -0.33 0.00 -0.92 0.00 0.00 57.85 56.55 2qou n ARG 3 Cb 0.00 -1.51 0.12 0.00 0.45 0.00 0.00 32.46 31.52 2qou n ARG 3 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qou s ARG 4 N -3.14 1.68 -0.27 -0.14 6.06 -1.26 -4.99 118.95 116.90 2qou s ARG 4 Ca 0.04 1.63 0.19 0.00 -2.50 0.00 0.00 55.73 55.09 2qou s ARG 4 Cb 0.15 -1.79 0.46 0.00 0.06 0.00 0.00 34.95 33.83 2qou s ARG 4 CO 0.87 -2.15 1.26 1.33 -2.50 0.00 0.00 175.30 174.11 2qou n VAL 5 N -3.41 0.74 -0.79 7.11 0.24 -1.26 -5.13 118.33 115.82 2qou n VAL 5 Ca 0.12 -2.09 -0.33 0.00 -2.04 0.00 0.00 64.34 60.00 2qou n VAL 5 Cb 0.51 1.17 0.12 0.00 -1.47 0.00 0.00 33.84 34.17 2qou n VAL 5 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2qou n ILE 6 N -0.86 0.00 0.00 1.34 -6.64 -1.26 -5.02 119.36 106.92 2qou n ILE 6 Ca -0.03 -0.20 0.00 0.00 -1.77 0.00 0.00 62.75 60.75 2qou n ILE 6 Cb 0.84 -0.61 0.00 0.00 -1.44 0.00 0.00 39.64 38.43 2qou n ILE 6 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qou n GLY 7 N 1.56 0.53 3.33 3.28 0.00 -1.26 -5.15 105.19 107.48 2qou n GLY 7 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2qou n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qou s GLN 8 N 0.91 0.99 -0.29 1.61 -0.44 -1.26 -5.14 119.66 116.04 2qou s GLN 8 Ca 0.00 -0.47 -0.11 0.00 -2.50 0.00 0.00 55.36 52.28 2qou s GLN 8 Cb 0.00 0.44 -0.03 0.00 -1.64 0.00 0.00 33.01 31.78 2qou s GLN 8 CO 0.00 -0.36 0.18 0.50 0.50 0.00 0.00 175.29 176.11 2qou s ARG 9 N -2.96 3.70 -1.06 1.67 3.52 -1.26 -4.99 118.95 117.57 2qou s ARG 9 Ca -0.02 -0.48 -0.26 0.00 -0.13 0.00 0.00 55.73 54.84 2qou s ARG 9 Cb 0.00 -3.63 -0.20 0.00 -1.56 0.00 0.00 34.95 29.57 2qou s ARG 9 CO -0.06 -0.28 2.03 1.63 -0.81 0.00 0.00 175.30 177.81 2qou n LYS 10 N 5.04 0.62 -1.69 5.12 5.02 -1.26 -4.89 118.16 126.12 2qou n LYS 10 Ca -0.14 -1.93 -0.44 0.00 -2.02 0.00 0.00 58.31 53.78 2qou n LYS 10 Cb 0.51 -3.79 -0.03 0.00 -0.02 0.00 0.00 35.03 31.70 2qou n LYS 10 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2qou n ILE 11 N 8.52 0.28 -1.70 -0.18 -6.64 -1.26 -4.89 119.36 113.50 2qou n ILE 11 Ca 0.43 -0.07 -0.43 0.00 -1.77 0.00 0.00 62.75 60.90 2qou n ILE 11 Cb 0.46 -1.67 -0.03 0.00 -1.44 0.00 0.00 39.64 36.96 2qou n ILE 11 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2qou n LEU 12 N 3.17 3.71 -4.37 7.28 -0.00 -1.26 -4.87 117.00 120.66 2qou n LEU 12 Ca 0.15 1.06 -0.31 0.00 -0.00 0.00 0.00 56.01 56.91 2qou n LEU 12 Cb 0.31 -1.52 0.20 0.00 -0.00 0.00 0.00 43.42 42.40 2qou n LEU 12 CO 0.63 0.03 -0.11 -0.81 -0.00 0.00 0.00 177.39 177.13 2qou n PRO 13 N 3.89 -1.71 -1.16 1.96 -0.04 -1.26 -4.65 135.00 132.03 2qou n PRO 13 Ca 0.16 -0.47 -0.38 0.00 -0.04 0.00 0.00 63.50 62.77 2qou n PRO 13 Cb 0.33 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.89 2qou n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qou n ASP 14 N -2.80 -2.12 0.00 3.54 -0.08 0.88 -4.62 116.55 111.36 2qou n ASP 14 Ca 0.02 0.78 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 2qou n ASP 14 Cb 0.58 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.26 2qou n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qou n PRO 15 N 1.09 0.00 -0.32 -0.67 -0.04 -1.26 -1.59 135.00 132.20 2qou n PRO 15 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2qou n PRO 15 Cb 0.31 -0.24 0.32 0.00 -0.04 0.00 0.00 33.50 33.86 2qou n PRO 15 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2qou h LYS 16 N 0.00 0.78 0.00 0.54 3.64 -2.03 -3.30 116.57 116.20 2qou h LYS 16 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qou h LYS 16 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2qou h LYS 16 CO 0.00 0.51 0.00 1.19 -2.27 0.00 0.00 179.45 178.88 2qou n PHE 17 N -4.63 0.00 0.00 1.91 3.01 -1.26 -5.05 117.46 111.43 2qou n PHE 17 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 2qou n PHE 17 Cb 0.48 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2qou n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qou n GLY 18 N 2.43 1.09 3.37 1.37 0.00 -0.62 -4.94 105.19 107.88 2qou n GLY 18 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2qou n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qou s SER 19 N -1.33 5.47 0.52 1.61 1.04 -1.26 -4.34 113.70 115.42 2qou s SER 19 Ca 0.00 -0.84 0.21 0.00 0.48 0.00 0.00 55.95 55.80 2qou s SER 19 Cb 0.00 -1.96 1.14 0.00 0.10 0.00 0.00 66.02 65.30 2qou s SER 19 CO 0.00 -0.28 1.60 -0.08 0.98 0.00 0.00 173.24 175.46 2qou h GLU 20 N 8.33 0.00 0.02 4.02 4.81 -1.88 0.31 114.58 130.20 2qou h GLU 20 Ca -0.28 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2qou h GLU 20 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2qou h GLU 20 CO 0.63 0.00 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.83 2qou h LEU 21 N 0.00 -0.03 -1.39 1.64 3.38 -1.94 -3.27 115.31 113.70 2qou h LEU 21 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qou h LEU 21 Cb 0.73 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2qou h LEU 21 CO 0.00 0.02 0.05 -0.11 0.09 0.00 0.00 178.44 178.49 2qou n LEU 22 N -2.28 0.54 0.00 1.67 0.00 -0.86 -3.34 117.00 112.73 2qou n LEU 22 Ca -0.00 0.74 0.00 0.00 0.00 0.00 0.00 56.01 56.74 2qou n LEU 22 Cb 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 43.42 42.64 2qou n LEU 22 CO 0.01 -0.92 0.28 0.00 0.00 0.00 0.00 177.39 176.75 2qou n ALA 23 N -1.75 -0.03 -0.49 1.96 0.00 -0.03 -2.53 120.51 117.63 2qou n ALA 23 Ca -0.01 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.83 2qou n ALA 23 Cb 0.08 0.09 0.72 0.00 0.00 0.00 0.00 19.45 20.34 2qou n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qou h LYS 24 N 0.00 0.06 -0.76 0.00 1.57 -1.67 0.46 116.57 116.23 2qou h LYS 24 Ca 0.00 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2qou h LYS 24 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.19 2qou h LYS 24 CO 0.00 0.04 0.27 0.35 -0.57 0.00 0.00 179.45 179.55 2qou h PHE 25 N 0.07 0.46 -0.24 -1.35 3.57 -1.61 0.33 116.94 118.17 2qou h PHE 25 Ca 0.78 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 62.19 2qou h PHE 25 Cb 2.78 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 41.43 2qou h PHE 25 CO -0.00 0.01 -0.37 -0.39 -2.23 0.00 0.00 178.31 175.33 2qou h VAL 26 N 0.39 1.29 0.00 1.41 -1.51 0.03 -1.22 116.25 116.64 2qou h VAL 26 Ca 0.43 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 2qou h VAL 26 Cb 0.69 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2qou h VAL 26 CO -0.44 0.48 -0.04 0.78 -1.23 0.00 0.00 177.57 177.11 2qou h ASN 27 N 0.45 0.00 0.32 4.19 2.35 -0.31 0.19 115.58 122.76 2qou h ASN 27 Ca 0.04 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 2qou h ASN 27 Cb 0.85 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 2qou h ASN 27 CO 0.07 0.04 -1.81 0.40 -1.65 0.00 0.00 177.43 174.49 2qou h ILE 28 N 0.00 0.80 0.00 2.81 1.08 -0.64 -3.35 117.51 118.22 2qou h ILE 28 Ca -0.00 -2.56 -0.00 0.00 -0.39 0.00 0.00 64.86 61.91 2qou h ILE 28 Cb 0.11 2.52 -0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2qou h ILE 28 CO 0.01 0.73 -0.01 0.25 -0.69 0.00 0.00 178.15 178.44 2qou h LEU 29 N 0.05 0.00-10.66 1.44 6.46 -0.38 -3.45 115.31 108.77 2qou h LEU 29 Ca -0.34 0.00 -0.46 0.00 -0.12 0.00 0.00 57.88 56.96 2qou h LEU 29 Cb 2.02 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 42.03 2qou h LEU 29 CO 0.10 0.01 0.11 -0.32 -0.62 0.00 0.00 178.44 177.72 2qou s MET 30 N -3.48 1.83 -0.14 1.25 1.75 0.58 -4.92 119.30 116.18 2qou s MET 30 Ca 0.04 -0.92 -0.34 0.00 -1.25 0.00 0.00 55.69 53.22 2qou s MET 30 Cb 0.07 -2.31 0.13 0.00 2.84 0.00 0.00 34.83 35.56 2qou s MET 30 CO 0.60 -1.35 1.22 0.54 -0.65 0.00 0.00 175.02 175.38 2qou s VAL 31 N -3.13 0.00 -1.00 10.11 0.11 -1.26 -4.96 120.40 120.27 2qou s VAL 31 Ca 0.64 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2qou s VAL 31 Cb -0.07 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 2qou s VAL 31 CO 0.44 0.00 0.00 0.47 -3.33 0.00 0.00 175.10 172.68 2qou n ASP 32 N -0.20 -2.88 -2.17 3.54 9.92 -1.26 -2.94 116.55 120.56 2qou n ASP 32 Ca -0.02 0.23 -0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2qou n ASP 32 Cb 0.59 -2.67 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 2qou n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qou n GLY 33 N -0.11 -0.74 2.51 0.44 0.00 -1.26 -5.03 105.19 101.00 2qou n GLY 33 Ca -0.09 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2qou n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qou n LYS 34 N -1.22 1.05 -0.25 1.61 5.02 -1.15 -4.99 118.16 118.24 2qou n LYS 34 Ca 0.01 -2.72 0.05 0.00 -2.02 0.00 0.00 58.31 53.62 2qou n LYS 34 Cb 0.46 -1.17 0.16 0.00 -0.02 0.00 0.00 35.03 34.46 2qou n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qou h LYS 35 N 2.85 0.14 -0.21 1.97 1.63 -1.96 -1.01 116.57 119.97 2qou h LYS 35 Ca -0.05 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2qou h LYS 35 Cb 1.10 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.65 2qou h LYS 35 CO 0.31 0.09 -0.11 0.66 -3.45 0.00 0.00 179.45 176.95 2qou h SER 36 N 0.14 -0.37 -0.83 4.20 4.64 -2.01 -1.63 113.55 117.70 2qou h SER 36 Ca 0.40 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.83 2qou h SER 36 Cb 0.70 0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 2qou h SER 36 CO -0.61 -0.14 0.55 0.74 -0.87 0.00 0.00 176.83 176.50 2qou h THR 37 N -0.09 1.17 -0.09 2.95 2.02 -1.65 -3.07 112.91 114.16 2qou h THR 37 Ca 0.12 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.95 2qou h THR 37 Cb 0.26 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2qou h THR 37 CO -0.27 0.20 -0.30 0.00 0.37 0.00 0.00 175.52 175.51 2qou h ALA 38 N 1.50 -0.68 -1.00 6.16 0.00 -0.28 -1.28 119.26 123.67 2qou h ALA 38 Ca 0.32 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.40 2qou h ALA 38 Cb -0.04 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 2qou h ALA 38 CO -0.08 -0.79 0.61 0.93 0.00 0.00 0.00 179.25 179.91 2qou h GLU 39 N -0.32 0.70 -0.24 0.00 3.07 -1.46 0.86 114.58 117.19 2qou h GLU 39 Ca 0.02 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2qou h GLU 39 Cb 0.38 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2qou h GLU 39 CO -0.25 0.46 0.29 0.77 -1.40 0.00 0.00 179.01 178.88 2qou h SER 40 N 0.72 0.00 0.00 1.42 0.02 -1.16 0.24 113.55 114.79 2qou h SER 40 Ca 0.59 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.19 2qou h SER 40 Cb 0.97 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2qou h SER 40 CO -0.38 0.00 -2.33 -0.38 -1.14 0.00 0.00 176.83 172.60 2qou n ILE 41 N -3.68 1.34 -0.09 3.27 5.41 0.24 -3.90 119.36 121.94 2qou n ILE 41 Ca 0.03 -0.54 -0.11 0.00 1.00 0.00 0.00 62.75 63.14 2qou n ILE 41 Cb 0.42 -1.26 -0.04 0.00 -0.71 0.00 0.00 39.64 38.05 2qou n ILE 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qou h VAL 42 N 0.00 1.22 0.00 1.39 2.07 0.83 -2.95 116.25 118.81 2qou h VAL 42 Ca -0.52 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2qou h VAL 42 Cb 1.84 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2qou h VAL 42 CO -0.07 0.24 0.00 -1.22 0.02 0.00 0.00 177.57 176.54 2qou n TYR 43 N -4.68 0.96 0.54 1.57 0.53 0.79 -1.89 117.16 114.98 2qou n TYR 43 Ca -0.03 0.29 0.12 0.00 -1.02 0.00 0.00 57.90 57.27 2qou n TYR 43 Cb 0.20 -0.98 0.45 0.00 -1.03 0.00 0.00 39.34 37.98 2qou n TYR 43 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2qou n SER 44 N -2.30 0.66 -0.00 7.72 2.88 -1.12 -2.90 113.62 118.56 2qou n SER 44 Ca 0.05 0.61 0.01 0.00 -1.33 0.00 0.00 58.87 58.21 2qou n SER 44 Cb 0.40 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 63.08 2qou n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qou n ALA 45 N -1.75 2.21 -0.31 -1.46 0.00 -1.15 -4.38 120.51 113.66 2qou n ALA 45 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qou n ALA 45 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2qou n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qou n LEU 46 N -1.29 0.73 -0.06 0.00 7.94 -0.79 -2.34 117.00 121.18 2qou n LEU 46 Ca 0.00 0.45 0.08 0.00 -1.11 0.00 0.00 56.01 55.43 2qou n LEU 46 Cb 0.05 -0.34 0.45 0.00 0.53 0.00 0.00 43.42 44.11 2qou n LEU 46 CO 0.05 -0.34 1.18 -0.33 -1.11 0.00 0.00 177.39 176.84 2qou h GLU 47 N 0.00 0.49 0.61 1.96 5.08 -1.82 -2.21 114.58 118.69 2qou h GLU 47 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2qou h GLU 47 Cb 0.00 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2qou h GLU 47 CO 0.00 0.33 -0.29 1.15 -1.00 0.00 0.00 179.01 179.19 2qou h THR 48 N 0.51 0.24 -0.79 1.13 2.02 -1.74 -2.01 112.91 112.26 2qou h THR 48 Ca 0.23 -0.32 0.20 0.00 0.77 0.00 0.00 66.41 67.29 2qou h THR 48 Cb 0.27 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2qou h THR 48 CO -0.06 0.03 0.55 0.25 0.37 0.00 0.00 175.52 176.66 2qou h LEU 49 N -1.07 0.18 -0.09 2.58 6.46 -1.23 0.77 115.31 122.90 2qou h LEU 49 Ca -0.08 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2qou h LEU 49 Cb 0.68 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2qou h LEU 49 CO 0.14 0.08 0.01 0.00 -0.62 0.00 0.00 178.44 178.04 2qou h ALA 50 N 1.63 0.12 -0.47 1.25 0.00 -1.22 -3.10 119.26 117.46 2qou h ALA 50 Ca 0.39 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2qou h ALA 50 Cb 1.26 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2qou h ALA 50 CO -0.07 -0.21 -0.33 0.37 0.00 0.00 0.00 179.25 179.01 2qou h GLN 51 N -0.10 -0.21 -0.42 0.00 -0.00 -0.09 3.03 115.11 117.31 2qou h GLN 51 Ca 0.03 0.01 0.12 0.00 -0.00 0.00 0.00 58.65 58.81 2qou h GLN 51 Cb 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 2qou h GLN 51 CO 0.00 -0.14 0.50 0.00 0.00 0.00 0.00 178.83 179.19 2qou h ARG 52 N -0.22 0.00 -0.01 1.69 3.08 -1.43 0.43 114.38 117.92 2qou h ARG 52 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2qou h ARG 52 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2qou h ARG 52 CO -0.59 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 177.16 2qou n SER 53 N -3.60 1.51 0.00 7.04 3.41 0.19 -4.97 113.62 117.20 2qou n SER 53 Ca 0.08 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2qou n SER 53 Cb 0.67 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2qou n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qou n GLY 54 N 0.46 0.00 3.99 5.00 0.00 0.96 -4.88 105.19 110.71 2qou n GLY 54 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2qou n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qou s LYS 55 N -0.71 2.80 0.20 1.61 -2.85 -1.08 -4.92 119.74 114.79 2qou s LYS 55 Ca 0.00 -0.96 -0.32 0.00 -1.00 0.00 0.00 55.97 53.69 2qou s LYS 55 Cb 0.00 -2.65 -0.12 0.00 -2.06 0.00 0.00 37.83 33.00 2qou s LYS 55 CO 0.00 -0.37 1.74 0.43 0.10 0.00 0.00 175.35 177.25 2qou n SER 56 N -2.02 4.04 -0.22 0.03 7.64 -1.26 -4.52 113.62 117.31 2qou n SER 56 Ca 0.06 1.05 -0.08 0.00 1.01 0.00 0.00 58.87 60.91 2qou n SER 56 Cb 0.59 -1.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.26 2qou n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qou h GLU 57 N 6.98 1.08 -0.48 1.43 3.07 -1.91 -0.51 114.58 124.25 2qou h GLU 57 Ca -0.43 -0.31 0.03 0.00 -0.50 0.00 0.00 59.36 58.15 2qou h GLU 57 Cb 1.20 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 2qou h GLU 57 CO 0.96 1.01 0.32 1.37 -1.40 0.00 0.00 179.01 181.27 2qou h LEU 58 N 1.00 0.45 0.14 1.33 -0.00 -1.90 -0.41 115.31 115.92 2qou h LEU 58 Ca 0.19 -0.01 -0.36 0.00 -0.00 0.00 0.00 57.88 57.70 2qou h LEU 58 Cb 0.48 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2qou h LEU 58 CO 0.02 0.31 -1.93 -0.33 -0.00 0.00 0.00 178.44 176.51 2qou h GLU 59 N 0.53 0.30 0.00 0.17 3.07 -1.92 -3.31 114.58 113.41 2qou h GLU 59 Ca 0.20 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2qou h GLU 59 Cb 0.12 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2qou h GLU 59 CO -0.05 1.24 0.00 0.00 -1.40 0.00 0.00 179.01 178.80 2qou h ALA 60 N 0.09 1.00 0.10 3.43 0.00 -0.89 -3.08 119.26 119.91 2qou h ALA 60 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qou h ALA 60 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2qou h ALA 60 CO 0.11 0.00 -0.05 0.35 0.00 0.00 0.00 179.25 179.67 2qou h PHE 61 N 0.00 -0.12 -1.25 0.00 3.57 -1.16 -3.15 116.94 114.84 2qou h PHE 61 Ca 0.00 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 61.88 2qou h PHE 61 Cb 0.15 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.82 2qou h PHE 61 CO 0.00 -0.07 0.82 1.49 -2.23 0.00 0.00 178.31 178.31 2qou h GLU 62 N -0.16 0.17 -0.31 1.11 4.81 -1.69 0.33 114.58 118.84 2qou h GLU 62 Ca -0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2qou h GLU 62 Cb 0.10 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2qou h GLU 62 CO 0.02 0.11 -0.48 0.28 -0.73 0.00 0.00 179.01 178.21 2qou h VAL 63 N 0.17 0.07 -0.89 0.32 2.07 -1.52 0.57 116.25 117.04 2qou h VAL 63 Ca 0.73 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.32 2qou h VAL 63 Cb 2.26 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2qou h VAL 63 CO -0.33 0.00 0.58 0.00 0.02 0.00 0.00 177.57 177.84 2qou h ALA 64 N 0.12 1.55 0.64 1.67 0.00 -0.94 -2.74 119.26 119.55 2qou h ALA 64 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qou h ALA 64 Cb 0.62 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qou h ALA 64 CO -0.52 0.31 -0.31 -0.07 0.00 0.00 0.00 179.25 178.66 2qou h LEU 65 N 0.99 -0.72 -1.60 0.00 4.07 -0.73 -2.93 115.31 114.39 2qou h LEU 65 Ca 0.39 -0.02 0.50 0.00 0.08 0.00 0.00 57.88 58.83 2qou h LEU 65 Cb 0.24 0.19 -0.12 0.00 1.08 0.00 0.00 40.66 42.05 2qou h LEU 65 CO -0.15 -0.42 1.05 -0.33 -1.08 0.00 0.00 178.44 177.51 2qou h GLU 66 N -1.01 0.02 -0.14 1.13 5.08 0.34 0.58 114.58 120.58 2qou h GLU 66 Ca -0.09 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2qou h GLU 66 Cb 0.70 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2qou h GLU 66 CO 0.14 0.01 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.03 2qou h ASN 67 N 0.02 0.44 -1.58 1.42 2.35 -1.39 -3.32 115.58 113.53 2qou h ASN 67 Ca 0.88 -0.54 -0.76 0.00 -0.55 0.00 0.00 56.30 55.33 2qou h ASN 67 Cb 3.07 -0.13 -0.17 0.00 0.05 0.00 0.00 38.32 41.14 2qou h ASN 67 CO -0.30 0.89 1.92 0.52 -1.65 0.00 0.00 177.43 178.81 2qou n VAL 68 N -4.47 5.27 -3.84 2.81 0.31 0.20 -4.88 118.33 113.74 2qou n VAL 68 Ca -0.07 -4.83 -0.30 0.00 -0.01 0.00 0.00 64.34 59.14 2qou n VAL 68 Cb 0.43 -2.02 -0.14 0.00 -0.91 0.00 0.00 33.84 31.19 2qou n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qou s ARG 69 N -1.67 1.31 -0.74 5.55 0.52 -1.22 -4.37 118.95 118.33 2qou s ARG 69 Ca 0.46 -1.85 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 2qou s ARG 69 Cb 0.16 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 33.01 2qou s ARG 69 CO -0.06 -1.05 1.33 -1.25 0.02 0.00 0.00 175.30 174.28 2qou s PRO 70 N 0.70 3.16 -0.05 3.54 0.04 -1.26 -4.86 135.00 136.26 2qou s PRO 70 Ca 0.14 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.00 2qou s PRO 70 Cb -0.22 -4.23 0.16 0.00 0.04 0.00 0.00 34.50 30.25 2qou s PRO 70 CO -0.08 -2.20 0.81 -2.37 0.04 0.00 0.00 177.00 173.20 2qou n THR 71 N 6.46 0.68 -3.63 1.26 5.66 -1.26 -4.62 114.28 118.83 2qou n THR 71 Ca 0.05 -0.30 -0.11 0.00 -3.05 0.00 0.00 64.05 60.64 2qou n THR 71 Cb 0.49 -0.51 -0.07 0.00 -1.55 0.00 0.00 70.33 68.69 2qou n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2qou s VAL 72 N -1.27 0.00 -0.05 1.08 -7.23 -1.26 -2.37 120.40 109.30 2qou s VAL 72 Ca 0.11 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 2qou s VAL 72 Cb 0.09 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 36.12 2qou s VAL 72 CO 0.03 0.00 0.83 -1.83 -0.31 0.00 0.00 175.10 173.82 2qou s GLU 73 N 0.51 0.87 0.81 4.82 -1.05 -0.90 -4.12 118.70 119.65 2qou s GLU 73 Ca -0.01 0.01 -0.12 0.00 -0.15 0.00 0.00 54.97 54.71 2qou s GLU 73 Cb -0.05 0.41 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 2qou s GLU 73 CO -0.04 -0.31 1.14 0.14 0.95 0.00 0.00 175.26 177.14 2qou s VAL 74 N -1.87 2.47 -0.07 1.83 -7.23 -1.25 0.25 120.40 114.53 2qou s VAL 74 Ca -0.03 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2qou s VAL 74 Cb -0.00 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 33.90 2qou s VAL 74 CO 0.00 -0.20 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.79 2qou s LYS 75 N -5.40 1.04 -0.79 4.82 2.20 -0.06 -4.79 119.74 116.75 2qou s LYS 75 Ca 0.61 -0.13 -0.25 0.00 -0.36 0.00 0.00 55.97 55.84 2qou s LYS 75 Cb -0.12 -1.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.02 2qou s LYS 75 CO 0.51 -0.15 2.20 -1.12 -0.36 0.00 0.00 175.35 176.44 2qou s SER 76 N 1.25 4.49 -0.20 1.43 0.01 -1.26 -3.05 113.70 116.37 2qou s SER 76 Ca -0.05 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 2qou s SER 76 Cb -0.14 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2qou s SER 76 CO -0.02 -3.27 -0.01 -0.60 0.41 0.00 0.00 173.24 169.75 2qou s ARG 77 N 8.02 3.58 -0.64 12.44 6.06 -1.26 -5.00 118.95 142.15 2qou s ARG 77 Ca 0.83 -0.54 -0.03 0.00 -2.50 0.00 0.00 55.73 53.49 2qou s ARG 77 Cb -0.11 -3.05 0.15 0.00 0.06 0.00 0.00 34.95 32.01 2qou s ARG 77 CO 0.07 0.00 2.51 0.54 -2.50 0.00 0.00 175.30 175.93 2qou n ARG 78 N 4.26 2.74 -4.28 5.12 5.12 -1.26 -1.22 116.66 127.14 2qou n ARG 78 Ca -0.17 -2.82 -0.30 0.00 -1.93 0.00 0.00 57.85 52.63 2qou n ARG 78 Cb 0.52 -2.22 -0.10 0.00 -1.16 0.00 0.00 32.46 29.49 2qou n ARG 78 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qou s VAL 79 N -3.02 3.35 0.00 1.55 1.01 -1.23 -4.54 120.40 117.52 2qou s VAL 79 Ca 0.56 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2qou s VAL 79 Cb 0.38 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2qou s VAL 79 CO -0.27 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2qou n GLY 80 N 0.84 0.48 0.00 4.51 0.00 -1.26 -4.34 105.19 105.42 2qou n GLY 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qou n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qou n GLY 81 N -2.51 2.02 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.36 2qou n GLY 81 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2qou n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qou n SER 82 N 0.00 0.00 -4.53 1.61 2.88 -1.26 -4.97 113.62 107.35 2qou n SER 82 Ca 0.00 -0.76 -0.43 0.00 -1.33 0.00 0.00 58.87 56.35 2qou n SER 82 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2qou n SER 82 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2qou s THR 83 N 1.13 4.38 -1.05 2.46 -4.23 -1.26 -3.49 115.64 113.59 2qou s THR 83 Ca 0.00 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 2qou s THR 83 Cb 0.00 -4.53 0.26 0.00 1.34 0.00 0.00 72.50 69.57 2qou s THR 83 CO 0.00 -1.08 1.06 -0.31 -0.54 0.00 0.00 174.62 173.75 2qou s TYR 84 N 3.96 4.10 -0.15 3.99 4.12 -0.36 -4.88 117.35 128.13 2qou s TYR 84 Ca 0.32 -2.49 -0.36 0.00 0.02 0.00 0.00 57.07 54.56 2qou s TYR 84 Cb -0.12 -3.87 -0.13 0.00 -1.52 0.00 0.00 41.96 36.32 2qou s TYR 84 CO 0.21 -1.00 1.83 1.04 0.02 0.00 0.00 175.55 177.65 2qou n GLN 85 N 3.22 1.82 -4.08 -0.62 6.02 -1.26 -4.38 117.38 118.10 2qou n GLN 85 Ca 0.22 0.67 -0.33 0.00 -0.01 0.00 0.00 57.00 57.55 2qou n GLN 85 Cb 0.41 -2.45 -0.16 0.00 1.02 0.00 0.00 30.24 29.06 2qou n GLN 85 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qou s VAL 86 N 3.86 2.29 0.06 5.09 1.01 -1.17 -4.75 120.40 126.78 2qou s VAL 86 Ca 0.95 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2qou s VAL 86 Cb -0.83 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2qou s VAL 86 CO 0.56 0.44 1.06 -2.16 0.00 0.00 0.00 175.10 175.01 2qou s PRO 87 N 1.29 4.55 -0.02 2.72 0.04 -1.25 -0.89 135.00 141.45 2qou s PRO 87 Ca 0.03 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2qou s PRO 87 Cb -0.14 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.03 2qou s PRO 87 CO -0.10 -0.05 0.24 0.54 0.04 0.00 0.00 177.00 177.66 2qou s VAL 88 N 0.68 0.06 0.81 -0.36 0.11 0.14 -4.81 120.40 117.04 2qou s VAL 88 Ca 0.53 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 2qou s VAL 88 Cb -0.25 -0.52 -0.10 0.00 -1.53 0.00 0.00 36.38 33.98 2qou s VAL 88 CO 0.30 -0.28 -0.18 -0.62 -3.33 0.00 0.00 175.10 170.98 2qou n GLU 89 N 1.50 0.03 -4.65 1.54 4.71 -1.25 -2.11 120.64 120.40 2qou n GLU 89 Ca -0.21 0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.63 2qou n GLU 89 Cb 0.56 -1.30 -0.13 0.00 -1.01 0.00 0.00 31.44 29.56 2qou n GLU 89 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2qou s VAL 90 N -2.04 3.44 1.04 2.62 -7.23 -1.00 -4.77 120.40 112.46 2qou s VAL 90 Ca 0.52 -0.54 -0.14 0.00 -1.81 0.00 0.00 61.98 60.01 2qou s VAL 90 Cb -0.30 -2.44 0.13 0.00 0.56 0.00 0.00 36.38 34.33 2qou s VAL 90 CO 0.71 0.54 0.55 0.54 -0.31 0.00 0.00 175.10 177.13 2qou n ARG 91 N 3.06 -1.14 0.00 4.82 3.00 -1.26 -4.69 116.66 120.44 2qou n ARG 91 Ca -0.18 -0.30 0.00 0.00 -0.01 0.00 0.00 57.85 57.37 2qou n ARG 91 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 31.02 2qou n ARG 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2qou n PRO 92 N -2.93 0.00 -0.53 5.56 -0.04 -1.26 -1.84 135.00 133.96 2qou n PRO 92 Ca 0.05 0.35 0.43 0.00 -0.04 0.00 0.00 63.50 64.30 2qou n PRO 92 Cb 0.56 -1.35 0.73 0.00 -0.04 0.00 0.00 33.50 33.40 2qou n PRO 92 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2qou h VAL 93 N 0.00 0.10 0.29 0.52 -1.51 -2.00 -0.72 116.25 112.94 2qou h VAL 93 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2qou h VAL 93 Cb 0.00 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.22 2qou h VAL 93 CO 0.00 0.01 -0.14 -0.09 -1.23 0.00 0.00 177.57 176.12 2qou h ARG 94 N 0.04 -0.38 0.00 5.19 2.43 -1.91 -3.08 114.38 116.68 2qou h ARG 94 Ca 0.84 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 60.04 2qou h ARG 94 Cb 3.01 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 32.64 2qou h ARG 94 CO -0.23 -0.25 0.00 -2.13 -1.51 0.00 0.00 179.97 175.85 2qou n ARG 95 N -3.72 0.00 -0.39 0.20 0.63 -0.30 -0.09 116.66 112.99 2qou n ARG 95 Ca -0.05 0.81 0.31 0.00 -0.92 0.00 0.00 57.85 58.00 2qou n ARG 95 Cb 0.15 -1.38 0.58 0.00 0.45 0.00 0.00 32.46 32.27 2qou n ARG 95 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2qou h ASN 96 N 0.00 0.34 0.40 6.15 7.08 -1.66 -1.32 115.58 126.56 2qou h ASN 96 Ca 0.00 0.13 -0.02 0.00 -3.08 0.00 0.00 56.30 53.33 2qou h ASN 96 Cb 0.00 0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 2qou h ASN 96 CO 0.00 -0.10 -0.19 0.00 -2.08 0.00 0.00 177.43 175.06 2qou h ALA 97 N 1.64 -0.53 -1.38 4.14 0.00 -1.11 -3.06 119.26 118.96 2qou h ALA 97 Ca 0.74 -0.12 0.46 0.00 0.00 0.00 0.00 54.91 55.99 2qou h ALA 97 Cb 2.12 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.98 2qou h ALA 97 CO -0.40 -0.50 0.89 -0.07 0.00 0.00 0.00 179.25 179.17 2qou h LEU 98 N -1.13 0.21 0.55 0.00 3.38 0.60 0.70 115.31 119.61 2qou h LEU 98 Ca -0.05 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2qou h LEU 98 Cb 0.42 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qou h LEU 98 CO 0.09 -0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.14 2qou h ALA 99 N 1.58 -0.93 -0.95 1.53 0.00 -1.37 -2.40 119.26 116.73 2qou h ALA 99 Ca 0.86 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.89 2qou h ALA 99 Cb 2.77 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 20.68 2qou h ALA 99 CO -0.43 -0.87 0.16 0.52 0.00 0.00 0.00 179.25 178.63 2qou h MET 100 N -0.93 0.07 0.52 0.00 2.86 -0.77 -0.96 114.93 115.72 2qou h MET 100 Ca -0.08 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2qou h MET 100 Cb 0.56 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.21 2qou h MET 100 CO 0.12 0.05 -0.25 0.00 1.06 0.00 0.00 176.91 177.89 2qou h ARG 101 N 0.07 -0.67 -0.81 1.72 3.08 -1.44 -2.78 114.38 113.55 2qou h ARG 101 Ca 0.61 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.90 2qou h ARG 101 Cb 1.32 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 31.40 2qou h ARG 101 CO -0.81 -0.38 0.26 -1.49 -1.07 0.00 0.00 179.97 176.48 2qou h TRP 102 N -0.89 0.42 -0.90 3.04 6.55 -0.68 0.23 115.95 123.72 2qou h TRP 102 Ca -0.07 0.04 0.10 0.00 0.95 0.00 0.00 58.89 59.92 2qou h TRP 102 Cb 0.61 -0.06 -0.08 0.00 -0.86 0.00 0.00 29.16 28.77 2qou h TRP 102 CO -0.00 -0.08 0.54 0.82 -1.05 0.00 0.00 178.44 178.66 2qou h ILE 103 N 0.31 0.92 0.70 1.49 2.04 -1.19 -1.69 117.51 120.09 2qou h ILE 103 Ca 0.48 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 2qou h ILE 103 Cb 0.87 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2qou h ILE 103 CO -0.53 0.16 -0.34 0.58 0.00 0.00 0.00 178.15 178.02 2qou h VAL 104 N 0.89 0.00 -0.25 1.67 2.07 -0.27 0.62 116.25 120.98 2qou h VAL 104 Ca 0.44 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 68.01 2qou h VAL 104 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2qou h VAL 104 CO -0.25 0.00 -0.31 -0.33 0.02 0.00 0.00 177.57 176.69 2qou h GLU 105 N -0.95 -0.31 -0.61 1.57 5.08 -1.33 0.67 114.58 118.69 2qou h GLU 105 Ca -0.10 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qou h GLU 105 Cb 0.72 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2qou h GLU 105 CO 0.16 -0.21 0.36 0.00 -1.00 0.00 0.00 179.01 178.32 2qou h ALA 106 N 0.60 1.48 -0.10 3.43 0.00 -1.36 -2.07 119.26 121.23 2qou h ALA 106 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qou h ALA 106 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qou h ALA 106 CO -0.43 0.45 -0.20 0.00 0.00 0.00 0.00 179.25 179.07 2qou h ALA 107 N 1.55 0.16 0.34 0.00 0.00 0.34 -2.98 119.26 118.67 2qou h ALA 107 Ca 0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qou h ALA 107 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2qou h ALA 107 CO -0.04 0.11 -0.40 0.00 0.00 0.00 0.00 179.25 178.92 2qou h ARG 108 N -0.12 -0.75 0.00 0.00 3.08 0.57 -2.31 114.38 114.86 2qou h ARG 108 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qou h ARG 108 Cb 0.79 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2qou h ARG 108 CO 0.04 -0.50 0.00 1.17 -1.07 0.00 0.00 179.97 179.62 2qou n LYS 109 N -5.48 0.49 0.07 0.04 4.81 -0.80 -3.75 118.16 113.53 2qou n LYS 109 Ca -0.10 0.01 0.03 0.00 -0.87 0.00 0.00 58.31 57.38 2qou n LYS 109 Cb 0.39 -1.50 0.15 0.00 0.02 0.00 0.00 35.03 34.08 2qou n LYS 109 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2qou n ARG 110 N -1.03 0.04 -1.48 1.64 1.74 -0.87 -4.75 116.66 111.95 2qou n ARG 110 Ca 0.12 0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 57.48 2qou n ARG 110 Cb 0.06 -1.87 -0.05 0.00 -1.02 0.00 0.00 32.46 29.58 2qou n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qou n GLY 111 N -1.28 1.08 0.00 -0.13 0.00 -1.25 -4.93 105.19 98.68 2qou n GLY 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qou n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qou n ASP 112 N -0.61 0.00 -0.01 1.61 9.92 -1.26 -5.01 116.55 121.19 2qou n ASP 112 Ca -0.13 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.12 2qou n ASP 112 Cb 0.45 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2qou n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qou n LYS 113 N 0.00 0.06 -4.27 -1.24 4.76 -1.26 -5.05 118.16 111.16 2qou n LYS 113 Ca 0.00 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.26 2qou n LYS 113 Cb 0.00 -0.41 -0.12 0.00 -1.84 0.00 0.00 35.03 32.66 2qou n LYS 113 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qou s SER 114 N -4.75 2.31 0.18 4.39 0.01 -1.26 -4.98 113.70 109.60 2qou s SER 114 Ca -0.03 -0.78 -0.26 0.00 1.31 0.00 0.00 55.95 56.19 2qou s SER 114 Cb 0.00 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.16 2qou s SER 114 CO 0.05 -0.05 1.55 -0.03 0.41 0.00 0.00 173.24 175.16 2qou h MET 115 N 3.65 -0.09 -0.87 12.44 4.05 -1.94 0.50 114.93 132.67 2qou h MET 115 Ca -0.42 0.01 0.23 0.00 -0.28 0.00 0.00 59.70 59.23 2qou h MET 115 Cb 1.19 0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 31.88 2qou h MET 115 CO 0.47 -0.06 0.26 0.00 0.23 0.00 0.00 176.91 177.81 2qou h ALA 116 N 0.73 1.28 0.07 0.39 0.00 -1.94 0.45 119.26 120.23 2qou h ALA 116 Ca 0.21 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qou h ALA 116 Cb 0.52 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qou h ALA 116 CO -0.86 -0.44 -0.03 1.25 0.00 0.00 0.00 179.25 179.16 2qou h LEU 117 N 0.24 -0.08 -1.83 0.00 6.46 -1.01 0.26 115.31 119.35 2qou h LEU 117 Ca 0.54 -0.42 0.16 0.00 -0.12 0.00 0.00 57.88 58.04 2qou h LEU 117 Cb 1.08 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2qou h LEU 117 CO -0.63 0.59 0.58 0.03 -0.62 0.00 0.00 178.44 178.40 2qou h ARG 118 N -0.96 0.00 0.02 1.25 3.08 0.32 0.63 114.38 118.72 2qou h ARG 118 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2qou h ARG 118 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2qou h ARG 118 CO 0.02 0.00 -1.27 1.25 -1.07 0.00 0.00 179.97 178.90 2qou h LEU 119 N 0.00 0.07 -0.11 3.04 5.85 -0.14 -3.30 115.31 120.72 2qou h LEU 119 Ca 0.26 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.39 2qou h LEU 119 Cb 1.42 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 2qou h LEU 119 CO -0.00 1.51 -0.53 0.00 -0.34 0.00 0.00 178.44 179.08 2qou h ALA 120 N -0.37 -0.90 -0.01 1.25 0.00 0.17 -0.65 119.26 118.75 2qou h ALA 120 Ca -0.33 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2qou h ALA 120 Cb 1.39 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 20.15 2qou h ALA 120 CO -0.15 -1.08 -0.11 -0.91 0.00 0.00 0.00 179.25 177.00 2qou h ASN 121 N -0.58 -0.31 -0.82 0.00 -0.26 -1.42 -2.67 115.58 109.53 2qou h ASN 121 Ca 0.03 0.05 0.14 0.00 -0.56 0.00 0.00 56.30 55.95 2qou h ASN 121 Cb 0.67 0.13 -0.09 0.00 -1.06 0.00 0.00 38.32 37.97 2qou h ASN 121 CO -0.41 -0.15 0.41 -0.08 -1.06 0.00 0.00 177.43 176.13 2qou h GLU 122 N -0.18 0.58 -0.93 0.81 4.57 -1.57 0.92 114.58 118.79 2qou h GLU 122 Ca 0.04 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 2qou h GLU 122 Cb 0.23 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 2qou h GLU 122 CO -0.11 0.39 0.58 -0.07 -1.18 0.00 0.00 179.01 178.61 2qou h LEU 123 N 0.60 0.91 -0.00 1.64 3.38 -0.79 0.51 115.31 121.55 2qou h LEU 123 Ca 0.44 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 2qou h LEU 123 Cb 0.60 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qou h LEU 123 CO -0.35 0.57 -0.04 0.28 0.09 0.00 0.00 178.44 178.98 2qou h SER 124 N 1.04 0.04 -0.94 -0.43 0.02 -0.62 -3.17 113.55 109.49 2qou h SER 124 Ca 0.41 -0.74 0.23 0.00 -0.84 0.00 0.00 61.79 60.85 2qou h SER 124 Cb 0.22 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.68 2qou h SER 124 CO -0.19 0.78 0.63 0.44 -1.14 0.00 0.00 176.83 177.34 2qou h ASP 125 N -0.69 0.37 0.99 3.07 5.19 0.12 0.25 116.42 125.72 2qou h ASP 125 Ca -0.00 0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.34 2qou h ASP 125 Cb 0.78 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2qou h ASP 125 CO 0.01 0.13 -0.55 0.00 -3.12 0.00 0.00 179.24 175.70 2qou h ALA 126 N 1.60 0.81 -0.07 3.45 0.00 -0.96 -0.99 119.26 123.10 2qou h ALA 126 Ca 0.50 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qou h ALA 126 Cb 1.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qou h ALA 126 CO -0.19 0.69 0.12 0.00 0.00 0.00 0.00 179.25 179.87 2qou h ALA 127 N 1.45 1.48 -0.12 0.00 0.00 -0.46 -1.31 119.26 120.29 2qou h ALA 127 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qou h ALA 127 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2qou h ALA 127 CO 0.07 -0.15 -0.21 -0.85 0.00 0.00 0.00 179.25 178.11 2qou n GLU 128 N -3.53 1.74 -3.62 0.00 0.00 -1.20 -4.85 120.64 109.17 2qou n GLU 128 Ca -0.01 -3.04 -0.23 0.00 0.00 0.00 0.00 57.16 53.88 2qou n GLU 128 Cb 0.21 -1.67 0.04 0.00 0.00 0.00 0.00 31.44 30.02 2qou n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qou n ASN 129 N -1.13 -2.94 0.03 -1.84 5.03 -0.49 -4.91 115.26 109.01 2qou n ASN 129 Ca 0.22 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.83 2qou n ASN 129 Cb 0.79 -4.10 0.00 0.00 -1.02 0.00 0.00 39.78 35.45 2qou n ASN 129 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2qou n LYS 130 N -4.09 0.00 -0.81 3.52 0.00 -0.62 -4.98 118.16 111.18 2qou n LYS 130 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.76 2qou n LYS 130 Cb 0.65 -0.36 0.11 0.00 0.00 0.00 0.00 35.03 35.43 2qou n LYS 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qou n GLY 131 N 2.74 -2.57 0.15 3.14 0.00 -0.47 -4.81 105.19 103.37 2qou n GLY 131 Ca 0.00 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.39 2qou n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qou n THR 132 N -3.58 0.99 0.04 2.61 -2.24 -1.26 -3.18 114.28 107.66 2qou n THR 132 Ca 0.04 0.55 -0.02 0.00 -2.27 0.00 0.00 64.05 62.36 2qou n THR 132 Cb 0.56 -1.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 2qou n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qou h ALA 133 N 2.09 -0.79 -0.75 6.98 0.00 -1.90 -2.93 119.26 121.96 2qou h ALA 133 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.10 2qou h ALA 133 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qou h ALA 133 CO 0.00 -0.78 0.79 -0.39 0.00 0.00 0.00 179.25 178.87 2qou h VAL 134 N -0.14 0.23 0.00 0.00 -1.51 -1.86 -1.74 116.25 111.23 2qou h VAL 134 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2qou h VAL 134 Cb 0.08 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 2qou h VAL 134 CO 0.02 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.53 2qou n LYS 135 N -3.58 0.00 -0.37 5.19 0.00 -1.12 -1.56 118.16 116.72 2qou n LYS 135 Ca 0.16 0.44 0.33 0.00 0.00 0.00 0.00 58.31 59.23 2qou n LYS 135 Cb 1.05 -1.35 0.66 0.00 0.00 0.00 0.00 35.03 35.39 2qou n LYS 135 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2qou h LYS 136 N 0.00 0.14 -0.09 1.64 1.63 -1.22 -0.22 116.57 118.45 2qou h LYS 136 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2qou h LYS 136 Cb 0.00 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2qou h LYS 136 CO 0.00 0.09 0.06 -0.09 -3.45 0.00 0.00 179.45 176.06 2qou h ARG 137 N 0.14 0.12 -0.05 1.90 1.12 -1.05 -3.08 114.38 113.48 2qou h ARG 137 Ca 0.65 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.51 2qou h ARG 137 Cb 2.19 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 32.12 2qou h ARG 137 CO -0.17 0.10 0.03 1.49 -3.11 0.00 0.00 179.97 178.31 2qou h GLU 138 N 0.10 0.07 -1.37 0.20 4.22 0.01 -1.92 114.58 115.90 2qou h GLU 138 Ca 0.03 -0.01 0.40 0.00 0.08 0.00 0.00 59.36 59.86 2qou h GLU 138 Cb 0.01 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2qou h GLU 138 CO -0.01 0.10 1.13 -0.44 -2.18 0.00 0.00 179.01 177.61 2qou h ASP 139 N 0.03 0.00 0.10 1.04 3.32 -1.43 0.58 116.42 120.05 2qou h ASP 139 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qou h ASP 139 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qou h ASP 139 CO -0.00 0.00 -0.05 0.58 -1.72 0.00 0.00 179.24 178.05 2qou h VAL 140 N 0.00 1.02 -0.09 -1.35 2.07 -1.29 -2.66 116.25 113.94 2qou h VAL 140 Ca 0.65 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2qou h VAL 140 Cb 2.89 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2qou h VAL 140 CO -0.01 0.29 0.18 0.45 0.02 0.00 0.00 177.57 178.50 2qou h HIS 141 N -0.86 0.00 0.00 1.57 3.86 0.18 0.48 115.15 120.38 2qou h HIS 141 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2qou h HIS 141 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2qou h HIS 141 CO 0.12 0.00 -0.37 0.00 0.86 0.00 0.00 177.93 178.53 2qou h ARG 142 N 0.00 0.00 -0.70 2.45 3.08 -0.97 -3.20 114.38 115.03 2qou h ARG 142 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2qou h ARG 142 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2qou h ARG 142 CO -0.00 0.17 0.40 1.98 -1.07 0.00 0.00 179.97 181.45 2qou h MET 143 N 0.00 0.97 -7.29 0.04 4.05 0.34 -3.25 114.93 109.79 2qou h MET 143 Ca -0.01 -0.10 -0.49 0.00 -0.28 0.00 0.00 59.70 58.81 2qou h MET 143 Cb 1.15 -0.19 0.17 0.00 -0.80 0.00 0.00 31.60 31.93 2qou h MET 143 CO 0.02 0.71 0.21 0.00 0.23 0.00 0.00 176.91 178.09 2qou s ALA 144 N -5.89 1.30 0.00 0.39 0.00 -1.19 -2.57 121.76 113.80 2qou s ALA 144 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2qou s ALA 144 Cb 0.14 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2qou s ALA 144 CO 0.79 -2.61 0.00 -1.91 0.00 0.00 0.00 175.76 172.03 2qou n GLU 145 N -4.08 0.00 0.00 0.00 2.13 -1.26 -4.23 120.64 113.20 2qou n GLU 145 Ca 0.08 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.95 2qou n GLU 145 Cb 0.54 -0.07 0.23 0.00 0.27 0.00 0.00 31.44 32.41 2qou n GLU 145 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qou n ALA 146 N 0.00 1.51 -2.71 4.31 0.00 -1.07 -2.29 120.51 120.26 2qou n ALA 146 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2qou n ALA 146 Cb 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.38 2qou n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qou n ASN 147 N -1.45 -0.65 0.02 0.00 3.02 -1.06 -4.94 115.26 110.19 2qou n ASN 147 Ca 0.03 -2.34 -0.09 0.00 -0.03 0.00 0.00 54.58 52.15 2qou n ASN 147 Cb 0.11 0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 39.56 2qou n ASN 147 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qou h LYS 148 N 1.90 0.02 -0.75 3.52 3.64 -1.74 -3.31 116.57 119.85 2qou h LYS 148 Ca -0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 2qou h LYS 148 Cb 1.28 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 2qou h LYS 148 CO 0.02 0.74 0.44 0.00 -2.27 0.00 0.00 179.45 178.38 2qou h ALA 149 N 0.95 1.37 -0.60 5.00 0.00 -1.92 -1.76 119.26 122.30 2qou h ALA 149 Ca -0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2qou h ALA 149 Cb 1.92 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2qou h ALA 149 CO 0.10 0.54 0.37 0.74 0.00 0.00 0.00 179.25 181.00 2qou h PHE 150 N 1.03 0.69 0.00 0.00 -1.00 -1.96 -3.55 116.94 112.16 2qou h PHE 150 Ca 0.27 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2qou h PHE 150 Cb -0.03 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.31 2qou h PHE 150 CO 0.00 0.40 0.00 0.00 -1.61 0.00 0.00 178.31 177.10