#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsx s LEU 18 N 0.00 3.51 -0.24 -1.96 2.96 0.17 -5.00 118.68 118.13 2qsx s LEU 18 Ca 0.00 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2qsx s LEU 18 Cb 0.00 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2qsx s LEU 18 CO 0.00 0.11 0.05 -0.69 -1.32 0.00 0.00 176.35 174.50 2qsx s VAL 19 N 0.77 4.21 0.06 1.68 1.01 -1.26 -0.84 120.40 126.02 2qsx s VAL 19 Ca 0.02 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2qsx s VAL 19 Cb -0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2qsx s VAL 19 CO 0.02 0.36 -0.16 0.68 0.00 0.00 0.00 175.10 176.01 2qsx s VAL 20 N 1.47 2.96 -0.21 2.92 -7.23 -0.15 -0.75 120.40 119.43 2qsx s VAL 20 Ca 0.06 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2qsx s VAL 20 Cb -0.15 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2qsx s VAL 20 CO 0.03 0.28 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.39 2qsx s ASP 21 N -1.63 3.53 0.23 4.85 -1.08 -0.32 0.05 116.67 122.30 2qsx s ASP 21 Ca 0.16 -0.97 0.02 0.00 -0.52 0.00 0.00 52.55 51.24 2qsx s ASP 21 Cb -0.11 -1.23 -0.05 0.00 -1.46 0.00 0.00 42.92 40.08 2qsx s ASP 21 CO 0.07 -0.17 0.05 0.68 0.52 0.00 0.00 175.17 176.32 2qsx s VAL 22 N 1.39 0.75 0.62 1.11 -7.23 -0.57 -0.59 120.40 115.88 2qsx s VAL 22 Ca -0.03 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 2qsx s VAL 22 Cb -0.17 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2qsx s VAL 22 CO -0.08 -0.20 1.23 0.42 -0.31 0.00 0.00 175.10 176.17 2qsx s THR 23 N -3.62 2.42 0.31 5.32 -4.23 -1.21 -1.87 115.64 112.76 2qsx s THR 23 Ca 0.32 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 2qsx s THR 23 Cb 0.07 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 71.14 2qsx s THR 23 CO 0.10 -0.06 1.70 -0.65 -0.54 0.00 0.00 174.62 175.17 2qsx h PRO 24 N 0.66 0.45 0.13 3.99 0.11 -1.92 -1.18 132.00 134.22 2qsx h PRO 24 Ca -0.50 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.30 2qsx h PRO 24 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qsx h PRO 24 CO 0.54 0.29 -1.33 0.77 -0.21 0.00 0.00 178.00 178.06 2qsx h SER 25 N 0.46 0.41 -0.96 -2.05 0.02 -1.96 -2.97 113.55 106.50 2qsx h SER 25 Ca 0.61 -0.48 0.11 0.00 -0.84 0.00 0.00 61.79 61.19 2qsx h SER 25 Cb 1.18 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 2qsx h SER 25 CO -0.52 1.38 0.61 0.15 -1.14 0.00 0.00 176.83 177.32 2qsx h PHE 26 N 0.07 1.06 0.61 3.45 3.57 -1.71 0.60 116.94 124.60 2qsx h PHE 26 Ca -0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2qsx h PHE 26 Cb 1.99 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 40.40 2qsx h PHE 26 CO 0.06 0.44 -0.29 0.00 -2.23 0.00 0.00 178.31 176.29 2qsx h ALA 27 N 1.55 -0.82 0.11 2.41 0.00 -1.16 0.13 119.26 121.47 2qsx h ALA 27 Ca 0.47 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 2qsx h ALA 27 Cb 0.48 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qsx h ALA 27 CO -0.23 -0.91 -1.27 0.66 0.00 0.00 0.00 179.25 177.50 2qsx h SER 28 N -0.93 0.36 1.14 0.00 4.64 -1.36 -0.26 113.55 117.14 2qsx h SER 28 Ca -0.08 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2qsx h SER 28 Cb 0.66 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2qsx h SER 28 CO 0.14 1.33 -0.88 -0.07 -0.87 0.00 0.00 176.83 176.47 2qsx h LEU 29 N 0.06 0.00 0.00 5.97 3.38 -1.00 -3.40 115.31 120.32 2qsx h LEU 29 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2qsx h LEU 29 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2qsx h LEU 29 CO 0.19 0.12 -0.46 1.87 0.09 0.00 0.00 178.44 180.25 2qsx n TRP 30 N -2.81 -0.23 -0.04 1.13 -0.00 -0.93 -4.64 117.44 109.92 2qsx n TRP 30 Ca -0.01 0.04 -0.13 0.00 -0.00 0.00 0.00 57.50 57.40 2qsx n TRP 30 Cb 0.60 0.22 -0.08 0.00 -0.00 0.00 0.00 31.31 32.06 2qsx n TRP 30 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2qsx h LEU 31 N 0.00 0.26 -0.49 5.87 5.85 -0.63 -2.04 115.31 124.13 2qsx h LEU 31 Ca 0.00 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2qsx h LEU 31 Cb 0.46 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2qsx h LEU 31 CO 0.00 0.67 0.21 0.58 -0.34 0.00 0.00 178.44 179.56 2qsx h VAL 32 N -0.15 1.21 -0.66 1.05 2.07 -1.28 0.11 116.25 118.60 2qsx h VAL 32 Ca 0.02 -0.63 0.17 0.00 0.82 0.00 0.00 66.70 67.08 2qsx h VAL 32 Cb 0.59 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2qsx h VAL 32 CO 0.02 0.24 0.46 -0.65 0.02 0.00 0.00 177.57 177.66 2qsx h PRO 33 N 0.66 0.10 0.00 1.57 0.11 -1.76 -3.28 132.00 129.39 2qsx h PRO 33 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qsx h PRO 33 Cb 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2qsx h PRO 33 CO -0.02 0.06 -1.29 0.09 -0.21 0.00 0.00 178.00 176.63 2qsx n ASN 34 N -4.38 1.48 0.27 -2.05 3.02 -0.75 -4.69 115.26 108.16 2qsx n ASN 34 Ca 0.13 -0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 2qsx n ASN 34 Cb 0.66 1.42 0.77 0.00 -0.61 0.00 0.00 39.78 42.02 2qsx n ASN 34 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2qsx h ILE 35 N 0.00 0.67 -0.91 2.41 2.10 -0.87 -1.82 117.51 119.09 2qsx h ILE 35 Ca 0.00 -0.27 0.16 0.00 1.08 0.00 0.00 64.86 65.83 2qsx h ILE 35 Cb 0.52 1.17 -0.07 0.00 -1.09 0.00 0.00 36.82 37.34 2qsx h ILE 35 CO 0.00 0.07 0.59 0.78 -1.08 0.00 0.00 178.15 178.50 2qsx h ASN 36 N 0.00 0.63 -0.87 2.19 4.21 -1.84 -0.80 115.58 119.10 2qsx h ASN 36 Ca -0.00 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 2qsx h ASN 36 Cb 0.16 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.25 2qsx h ASN 36 CO 0.01 0.29 0.43 -0.78 -1.29 0.00 0.00 177.43 176.09 2qsx h ASP 37 N 0.65 1.12 -0.50 5.81 3.58 -1.69 0.19 116.42 125.59 2qsx h ASP 37 Ca 0.47 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2qsx h ASP 37 Cb 0.83 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2qsx h ASP 37 CO -0.22 0.93 0.31 0.15 -2.88 0.00 0.00 179.24 177.53 2qsx h PHE 38 N 1.23 0.64 -0.09 0.28 3.57 -1.32 -2.43 116.94 118.82 2qsx h PHE 38 Ca 0.30 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 2qsx h PHE 38 Cb 0.10 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2qsx h PHE 38 CO 0.01 0.43 -0.30 0.45 -2.23 0.00 0.00 178.31 176.66 2qsx h HIS 39 N 0.67 0.20 -0.26 0.41 3.86 -0.63 0.46 115.15 119.85 2qsx h HIS 39 Ca 0.18 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2qsx h HIS 39 Cb -0.04 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2qsx h HIS 39 CO -0.03 0.47 0.11 0.37 0.86 0.00 0.00 177.93 179.71 2qsx h GLN 40 N 0.16 0.24 -0.16 2.45 4.15 -0.44 -2.03 115.11 119.48 2qsx h GLN 40 Ca 0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2qsx h GLN 40 Cb 0.62 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2qsx h GLN 40 CO 0.05 0.16 0.06 0.00 -1.93 0.00 0.00 178.83 177.17 2qsx h ARG 41 N 0.25 0.24 -2.30 1.69 3.08 -0.93 -3.39 114.38 113.01 2qsx h ARG 41 Ca 0.11 -0.05 -0.59 0.00 0.07 0.00 0.00 59.98 59.53 2qsx h ARG 41 Cb 0.06 -0.04 -0.40 0.00 0.08 0.00 0.00 29.97 29.67 2qsx h ARG 41 CO -0.10 0.33 -0.86 0.72 -1.07 0.00 0.00 179.97 179.00 2qsx n HIS 42 N -4.86 1.15 0.27 3.04 8.25 0.10 -4.98 115.22 118.20 2qsx n HIS 42 Ca -0.05 -3.78 0.13 0.00 -0.26 0.00 0.00 57.72 53.76 2qsx n HIS 42 Cb 0.12 -0.31 0.79 0.00 1.12 0.00 0.00 29.99 31.71 2qsx n HIS 42 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qsx h PRO 43 N 4.63 0.00 0.00 -0.41 0.13 -1.58 -2.68 132.00 132.09 2qsx h PRO 43 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2qsx h PRO 43 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2qsx h PRO 43 CO 0.58 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 2qsx n ASN 44 N -3.82 0.00 -4.35 1.44 4.13 -1.26 -4.68 115.26 106.71 2qsx n ASN 44 Ca -0.02 0.36 -0.43 0.00 1.68 0.00 0.00 54.58 56.16 2qsx n ASN 44 Cb 0.17 -0.44 -0.09 0.00 -1.54 0.00 0.00 39.78 37.87 2qsx n ASN 44 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qsx s ILE 45 N -2.89 4.85 0.45 2.41 1.01 -1.01 -4.84 121.20 121.18 2qsx s ILE 45 Ca 0.14 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.44 2qsx s ILE 45 Cb 0.16 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2qsx s ILE 45 CO 0.42 -0.52 1.00 -0.13 0.00 0.00 0.00 174.94 175.71 2qsx s ARG 46 N 1.56 4.02 -0.07 2.79 0.52 -1.26 -4.92 118.95 121.59 2qsx s ARG 46 Ca 0.04 1.29 0.02 0.00 -0.52 0.00 0.00 55.73 56.56 2qsx s ARG 46 Cb -0.23 -2.19 0.01 0.00 0.52 0.00 0.00 34.95 33.06 2qsx s ARG 46 CO 0.05 -0.24 -0.14 0.08 0.02 0.00 0.00 175.30 175.08 2qsx s VAL 47 N -2.01 1.27 -0.26 3.52 1.01 -1.26 -0.65 120.40 122.02 2qsx s VAL 47 Ca 0.64 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 2qsx s VAL 47 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2qsx s VAL 47 CO 0.18 0.39 0.13 -0.75 0.00 0.00 0.00 175.10 175.04 2qsx s LYS 48 N 0.63 3.82 -0.41 2.72 2.20 -0.02 -4.98 119.74 123.70 2qsx s LYS 48 Ca -0.15 -0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 54.90 2qsx s LYS 48 Cb -0.16 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2qsx s LYS 48 CO 0.04 -0.15 0.40 0.42 -0.36 0.00 0.00 175.35 175.70 2qsx s ILE 49 N 1.59 5.14 0.31 5.43 1.01 -1.26 -0.98 121.20 132.44 2qsx s ILE 49 Ca 0.06 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2qsx s ILE 49 Cb -0.15 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2qsx s ILE 49 CO 0.07 -0.35 0.46 -0.76 0.00 0.00 0.00 174.94 174.36 2qsx s LEU 50 N 2.02 4.11 0.12 2.97 1.43 0.11 -5.00 118.68 124.44 2qsx s LEU 50 Ca 0.10 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2qsx s LEU 50 Cb -0.17 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2qsx s LEU 50 CO 0.13 -0.26 -0.19 0.42 0.23 0.00 0.00 176.35 176.67 2qsx s THR 51 N -2.16 1.66 -0.26 5.49 -4.23 -1.26 -1.51 115.64 113.36 2qsx s THR 51 Ca 0.39 -1.65 -0.33 0.00 -1.18 0.00 0.00 61.69 58.92 2qsx s THR 51 Cb -0.09 -1.60 0.17 0.00 1.34 0.00 0.00 72.50 72.31 2qsx s THR 51 CO 0.32 -0.18 1.31 -0.83 -0.54 0.00 0.00 174.62 174.70 2qsx s GLY 52 N -2.17 -0.10 -0.01 3.99 0.00 -0.78 -4.86 107.32 103.39 2qsx s GLY 52 Ca 0.09 2.24 0.02 0.00 0.00 0.00 0.00 44.72 47.06 2qsx s GLY 52 CO 0.05 0.83 0.88 2.09 0.00 0.00 0.00 173.10 176.95 2qsx n ASP 53 N 0.23 0.30 -1.13 1.64 5.68 -1.26 -3.55 116.55 118.46 2qsx n ASP 53 Ca 0.01 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2qsx n ASP 53 Cb 0.58 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2qsx n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qsx n GLY 54 N -0.16 1.85 3.74 6.12 0.00 -1.26 -4.98 105.19 110.51 2qsx n GLY 54 Ca 0.02 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2qsx n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsx s ALA 55 N -2.05 2.63 -0.05 4.61 0.00 -1.26 -5.06 121.76 120.58 2qsx s ALA 55 Ca 0.00 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 2qsx s ALA 55 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2qsx s ALA 55 CO 0.00 -1.46 0.11 0.08 0.00 0.00 0.00 175.76 174.49 2qsx s VAL 56 N -1.35 5.04 0.00 0.00 1.01 -1.26 -5.20 120.40 118.65 2qsx s VAL 56 Ca 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2qsx s VAL 56 Cb -0.39 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2qsx s VAL 56 CO 0.44 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.60 2qsx n GLY 61 N 1.47 0.00 0.27 4.51 0.00 -1.26 -5.19 105.19 104.98 2qsx n GLY 61 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2qsx n GLY 61 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qsx h GLU 62 N 0.00 0.69 -6.32 1.61 4.81 -2.03 -3.45 114.58 109.89 2qsx h GLU 62 Ca 0.00 -0.23 -0.53 0.00 -0.13 0.00 0.00 59.36 58.47 2qsx h GLU 62 Cb 0.75 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2qsx h GLU 62 CO 0.00 0.80 -0.26 -1.12 -0.73 0.00 0.00 179.01 177.70 2qsx s SER 63 N -6.73 6.41 0.04 1.04 0.01 -1.26 -4.86 113.70 108.35 2qsx s SER 63 Ca -0.09 0.52 0.20 0.00 1.31 0.00 0.00 55.95 57.90 2qsx s SER 63 Cb 0.14 -2.06 -0.18 0.00 0.21 0.00 0.00 66.02 64.13 2qsx s SER 63 CO 0.81 -0.10 0.68 0.47 0.41 0.00 0.00 173.24 175.51 2qsx n ASP 64 N -0.76 0.46 -3.68 2.44 8.00 0.07 -4.86 116.55 118.23 2qsx n ASP 64 Ca -0.04 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 2qsx n ASP 64 Cb 0.54 0.96 -0.08 0.00 -0.02 0.00 0.00 41.12 42.51 2qsx n ASP 64 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qsx s LEU 65 N -5.20 -0.23 0.16 0.64 0.20 -1.20 -4.33 118.68 108.71 2qsx s LEU 65 Ca -0.05 1.16 0.11 0.00 0.69 0.00 0.00 54.13 56.04 2qsx s LEU 65 Cb 0.10 1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 47.78 2qsx s LEU 65 CO 0.84 -0.20 -0.23 -1.00 -0.29 0.00 0.00 176.35 175.46 2qsx s HIS 66 N 0.44 2.35 -0.14 5.38 3.76 -0.10 -1.18 115.29 125.79 2qsx s HIS 66 Ca -0.01 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 2qsx s HIS 66 Cb -0.04 -1.21 0.01 0.00 1.11 0.00 0.00 32.58 32.45 2qsx s HIS 66 CO -0.01 0.43 -0.19 0.08 -0.85 0.00 0.00 174.74 174.20 2qsx s VAL 67 N -1.40 1.89 0.12 -0.90 1.01 0.24 -0.84 120.40 120.52 2qsx s VAL 67 Ca 0.18 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2qsx s VAL 67 Cb -0.09 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2qsx s VAL 67 CO 0.09 0.51 -0.14 -0.13 0.00 0.00 0.00 175.10 175.43 2qsx s ARG 68 N 1.02 1.00 -0.33 2.72 1.81 -0.59 -3.35 118.95 121.22 2qsx s ARG 68 Ca -0.03 -1.21 -0.12 0.00 -1.72 0.00 0.00 55.73 52.65 2qsx s ARG 68 Cb -0.15 -0.88 -0.02 0.00 -0.45 0.00 0.00 34.95 33.46 2qsx s ARG 68 CO -0.05 0.17 0.21 0.00 -0.68 0.00 0.00 175.30 174.95 2qsx s LEU 70 N 1.70 2.36 0.28 0.00 1.43 -0.46 -4.95 118.68 119.03 2qsx s LEU 70 Ca 0.06 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 2qsx s LEU 70 Cb -0.17 -0.19 -0.14 0.00 0.03 0.00 0.00 46.19 45.72 2qsx s LEU 70 CO 0.09 -0.28 1.09 -2.65 0.23 0.00 0.00 176.35 174.83 2qsx n PRO 71 N 0.84 1.49 -1.75 1.29 -0.02 -1.26 -0.55 135.00 135.03 2qsx n PRO 71 Ca -0.18 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2qsx n PRO 71 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 2qsx n PRO 71 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qsx s LEU 72 N 0.24 4.39 0.02 2.45 1.43 -0.57 -4.71 118.68 121.94 2qsx s LEU 72 Ca 0.60 2.71 -0.27 0.00 -1.03 0.00 0.00 54.13 56.14 2qsx s LEU 72 Cb -0.69 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.03 2qsx s LEU 72 CO 0.59 -0.99 0.63 -0.55 0.23 0.00 0.00 176.35 176.26 2qsx s SER 73 N 2.69 -0.60 0.00 2.29 0.15 -1.26 -5.04 113.70 111.94 2qsx s SER 73 Ca 0.80 0.44 0.23 0.00 0.70 0.00 0.00 55.95 58.11 2qsx s SER 73 Cb -0.45 0.55 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 2qsx s SER 73 CO 0.36 -0.72 1.11 0.35 1.20 0.00 0.00 173.24 175.54 2qsx n THR 74 N 0.49 0.00 -0.57 6.45 -2.24 -1.26 -4.52 114.28 112.62 2qsx n THR 74 Ca -0.18 -0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.55 2qsx n THR 74 Cb 0.60 0.92 0.34 0.00 -2.10 0.00 0.00 70.33 70.09 2qsx n THR 74 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qsx n HIS 75 N -0.87 1.72 -4.09 4.78 8.25 -1.26 -4.92 115.22 118.84 2qsx n HIS 75 Ca 0.07 -0.60 -0.29 0.00 -0.26 0.00 0.00 57.72 56.64 2qsx n HIS 75 Cb 0.38 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 2qsx n HIS 75 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2qsx s TYR 76 N -2.42 3.10 -0.16 4.41 2.02 -1.26 -5.04 117.35 118.00 2qsx s TYR 76 Ca 0.46 0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 2qsx s TYR 76 Cb 0.35 -1.56 0.05 0.00 -0.40 0.00 0.00 41.96 40.40 2qsx s TYR 76 CO 0.14 0.51 0.04 -1.21 -1.57 0.00 0.00 175.55 173.46 2qsx s GLU 77 N -2.57 0.55 -1.50 -0.62 2.02 -1.26 -3.64 118.70 111.67 2qsx s GLU 77 Ca 0.29 -0.24 -0.03 0.00 0.02 0.00 0.00 54.97 55.00 2qsx s GLU 77 Cb -0.11 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.32 2qsx s GLU 77 CO 0.21 -0.57 0.45 0.66 0.02 0.00 0.00 175.26 176.03 2qsx n TYR 78 N 5.11 -1.65 -4.38 1.61 4.01 -1.26 -4.80 117.16 115.80 2qsx n TYR 78 Ca -0.08 0.39 -0.21 0.00 -0.16 0.00 0.00 57.90 57.83 2qsx n TYR 78 Cb 0.48 -4.18 -0.10 0.00 -0.31 0.00 0.00 39.34 35.23 2qsx n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2qsx s SER 79 N -2.60 2.90 -0.10 7.72 0.01 -1.24 -1.47 113.70 118.93 2qsx s SER 79 Ca 0.22 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 2qsx s SER 79 Cb -0.10 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 65.99 2qsx s SER 79 CO 0.28 -0.06 0.22 -1.10 0.41 0.00 0.00 173.24 172.98 2qsx s GLN 80 N -3.32 0.17 0.08 12.44 -0.21 -0.52 -4.98 119.66 123.32 2qsx s GLN 80 Ca 0.22 0.50 -0.31 0.00 0.02 0.00 0.00 55.36 55.79 2qsx s GLN 80 Cb -0.04 -0.14 -0.09 0.00 1.00 0.00 0.00 33.01 33.75 2qsx s GLN 80 CO 0.09 -0.17 1.68 -1.17 -2.12 0.00 0.00 175.29 173.60 2qsx s LEU 81 N 1.29 4.37 -0.11 2.90 2.96 -1.26 -0.95 118.68 127.87 2qsx s LEU 81 Ca -0.09 2.53 -0.09 0.00 -0.22 0.00 0.00 54.13 56.26 2qsx s LEU 81 Cb -0.11 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2qsx s LEU 81 CO -0.08 -0.91 0.21 0.25 -1.32 0.00 0.00 176.35 174.51 2qsx h LEU 82 N 8.60 0.00 -7.00 -0.68 5.85 -0.72 -3.47 115.31 117.89 2qsx h LEU 82 Ca -0.43 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 57.98 2qsx h LEU 82 Cb 1.20 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.03 2qsx h LEU 82 CO 0.93 0.67 0.27 0.00 -0.34 0.00 0.00 178.44 179.97 2qsx s GLU 84 N -0.87 2.91 -0.30 0.00 2.02 -1.26 -0.70 118.70 120.50 2qsx s GLU 84 Ca -0.07 1.65 -0.23 0.00 0.02 0.00 0.00 54.97 56.34 2qsx s GLU 84 Cb -0.01 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 2qsx s GLU 84 CO 0.06 -1.21 0.76 -2.00 0.02 0.00 0.00 175.26 172.89 2qsx s GLU 85 N -3.60 3.97 -0.18 1.61 2.12 0.49 -4.79 118.70 118.33 2qsx s GLU 85 Ca 0.73 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.63 2qsx s GLU 85 Cb -0.26 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.43 2qsx s GLU 85 CO 0.35 -0.65 -0.18 0.99 -0.54 0.00 0.00 175.26 175.24 2qsx s THR 86 N 2.89 2.26 -0.05 -1.70 2.01 -1.26 -3.07 115.64 116.71 2qsx s THR 86 Ca 0.31 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 2qsx s THR 86 Cb -0.14 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 2qsx s THR 86 CO 0.12 0.52 0.30 -0.76 -0.69 0.00 0.00 174.62 174.11 2qsx s LEU 87 N 1.29 4.44 0.02 4.42 1.43 0.42 -0.23 118.68 130.47 2qsx s LEU 87 Ca 0.04 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2qsx s LEU 87 Cb -0.13 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2qsx s LEU 87 CO -0.11 0.36 0.07 -0.76 0.23 0.00 0.00 176.35 176.14 2qsx s LEU 88 N -1.05 3.82 -0.26 1.79 1.43 0.49 -0.84 118.68 124.06 2qsx s LEU 88 Ca 0.20 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2qsx s LEU 88 Cb -0.15 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2qsx s LEU 88 CO 0.09 0.24 1.20 -0.22 0.23 0.00 0.00 176.35 177.89 2qsx s LEU 89 N -1.91 4.00 0.10 1.79 2.96 -0.77 -1.26 118.68 123.59 2qsx s LEU 89 Ca 0.24 1.32 0.09 0.00 -0.22 0.00 0.00 54.13 55.56 2qsx s LEU 89 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2qsx s LEU 89 CO 0.16 -0.89 -0.20 0.27 -1.32 0.00 0.00 176.35 174.37 2qsx s ILE 90 N 3.79 2.66 0.30 6.68 -4.36 0.60 -0.31 121.20 130.56 2qsx s ILE 90 Ca 0.51 -1.47 -0.06 0.00 -0.26 0.00 0.00 60.65 59.38 2qsx s ILE 90 Cb -0.17 -2.17 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 2qsx s ILE 90 CO 0.16 0.18 0.44 -0.83 0.24 0.00 0.00 174.94 175.13 2qsx s GLY 91 N -1.88 1.16 0.59 6.27 0.00 -0.39 -1.54 107.32 111.53 2qsx s GLY 91 Ca 0.16 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 43.36 2qsx s GLY 91 CO 0.07 -0.92 1.28 0.21 0.00 0.00 0.00 173.10 173.74 2qsx s ASN 92 N -3.16 5.08 0.34 1.64 3.84 -1.26 -0.84 114.94 120.58 2qsx s ASN 92 Ca 0.29 2.58 0.25 0.00 0.21 0.00 0.00 52.86 56.19 2qsx s ASN 92 Cb 0.00 -2.62 1.20 0.00 -0.55 0.00 0.00 41.25 39.29 2qsx s ASN 92 CO 0.16 -1.68 1.77 0.71 -2.79 0.00 0.00 177.10 175.26 2qsx h THR 93 N 1.00 0.00 0.00 -5.21 1.35 -1.87 -1.62 112.91 106.57 2qsx h THR 93 Ca -0.51 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2qsx h THR 93 Cb 1.31 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2qsx h THR 93 CO 0.55 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.41 2qsx n ASN 94 N -2.40 0.62 -4.77 5.36 3.02 -1.26 -4.87 115.26 110.97 2qsx n ASN 94 Ca 0.00 0.59 -0.40 0.00 -0.03 0.00 0.00 54.58 54.74 2qsx n ASN 94 Cb 0.15 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 2qsx n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qsx s LEU 95 N -4.23 4.40 0.84 3.41 1.43 -0.61 -5.01 118.68 118.91 2qsx s LEU 95 Ca 0.09 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.67 2qsx s LEU 95 Cb 0.12 -3.70 0.09 0.00 0.03 0.00 0.00 46.19 42.73 2qsx s LEU 95 CO 0.49 -0.53 1.11 -2.16 0.23 0.00 0.00 176.35 175.50 2qsx s PRO 96 N -1.84 1.73 0.02 1.29 0.04 -1.26 -5.05 135.00 129.93 2qsx s PRO 96 Ca 0.50 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2qsx s PRO 96 Cb -0.38 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2qsx s PRO 96 CO 0.50 -1.84 0.91 -1.59 0.04 0.00 0.00 177.00 175.02 2qsx s LYS 97 N -5.18 4.57 0.02 4.56 -2.85 -1.26 -5.05 119.74 114.55 2qsx s LYS 97 Ca 0.62 1.32 -0.02 0.00 -1.00 0.00 0.00 55.97 56.88 2qsx s LYS 97 Cb -0.15 -3.43 -0.01 0.00 -2.06 0.00 0.00 37.83 32.19 2qsx s LYS 97 CO 0.54 0.06 -0.04 0.27 0.10 0.00 0.00 175.35 176.28 2qsx n ASN 101 N 3.51 0.71 -0.10 0.03 6.94 -1.26 -5.11 115.26 119.99 2qsx n ASN 101 Ca 0.03 0.10 0.01 0.00 -0.02 0.00 0.00 54.58 54.70 2qsx n ASN 101 Cb 0.51 -0.28 0.01 0.00 -2.36 0.00 0.00 39.78 37.65 2qsx n ASN 101 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qsx n GLN 102 N -3.16 0.72 0.08 -3.83 10.64 -1.26 -4.57 117.38 116.00 2qsx n GLN 102 Ca -0.02 -0.95 0.05 0.00 -1.83 0.00 0.00 57.00 54.26 2qsx n GLN 102 Cb 0.06 -0.68 0.29 0.00 -0.86 0.00 0.00 30.24 29.06 2qsx n GLN 102 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qsx n ALA 103 N -0.21 0.98 -0.24 2.61 0.00 -1.26 -1.81 120.51 120.58 2qsx n ALA 103 Ca 0.01 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2qsx n ALA 103 Cb 0.50 -1.12 0.28 0.00 0.00 0.00 0.00 19.45 19.11 2qsx n ALA 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qsx h ILE 104 N 0.00 1.08 0.00 0.00 2.04 -1.97 -2.87 117.51 115.79 2qsx h ILE 104 Ca 0.00 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2qsx h ILE 104 Cb 0.05 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2qsx h ILE 104 CO 0.00 0.17 -0.05 0.77 0.00 0.00 0.00 178.15 179.04 2qsx h SER 105 N 0.93 0.00 -0.21 1.72 4.64 -1.72 -2.26 113.55 116.65 2qsx h SER 105 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2qsx h SER 105 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2qsx h SER 105 CO -0.11 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2qsx n HIS 106 N -3.40 0.52 -5.06 4.77 1.44 -1.08 -4.58 115.22 107.83 2qsx n HIS 106 Ca -0.02 -0.20 -0.32 0.00 -2.01 0.00 0.00 57.72 55.17 2qsx n HIS 106 Cb 0.18 -0.13 -0.14 0.00 0.12 0.00 0.00 29.99 30.01 2qsx n HIS 106 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2qsx s TYR 107 N -1.62 2.56 0.55 -1.40 2.02 -0.85 -5.13 117.35 113.48 2qsx s TYR 107 Ca 0.17 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 2qsx s TYR 107 Cb 0.11 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 2qsx s TYR 107 CO 0.08 0.09 1.37 -2.30 -1.57 0.00 0.00 175.55 173.22 2qsx n PRO 108 N 2.37 1.71 -3.59 -1.71 -0.02 -1.26 -4.70 135.00 127.80 2qsx n PRO 108 Ca -0.17 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 2qsx n PRO 108 Cb 0.52 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2qsx n PRO 108 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qsx s PHE 109 N -1.28 3.47 -0.22 6.00 0.40 0.60 -1.02 117.98 125.94 2qsx s PHE 109 Ca 0.72 0.57 -0.25 0.00 -0.60 0.00 0.00 56.93 57.37 2qsx s PHE 109 Cb -0.42 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 2qsx s PHE 109 CO 0.49 0.30 0.82 0.42 0.70 0.00 0.00 175.22 177.95 2qsx s ILE 110 N 0.27 4.86 0.22 0.64 1.01 0.66 -1.37 121.20 127.48 2qsx s ILE 110 Ca 0.15 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 2qsx s ILE 110 Cb -0.13 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 2qsx s ILE 110 CO 0.03 -0.04 1.06 -2.16 0.00 0.00 0.00 174.94 173.84 2qsx s PRO 111 N 2.60 4.67 -0.30 2.79 0.05 -1.26 -4.80 135.00 138.75 2qsx s PRO 111 Ca 0.36 1.69 -0.05 0.00 0.05 0.00 0.00 61.00 63.04 2qsx s PRO 111 Cb -0.16 -3.25 0.03 0.00 0.05 0.00 0.00 34.50 31.17 2qsx s PRO 111 CO 0.09 0.22 0.05 -1.14 0.05 0.00 0.00 177.00 176.26 2qsx s GLN 112 N -0.87 2.80 0.40 4.56 0.74 -1.26 -1.95 119.66 124.08 2qsx s GLN 112 Ca 0.46 -1.04 0.27 0.00 0.05 0.00 0.00 55.36 55.10 2qsx s GLN 112 Cb -0.29 -3.29 0.83 0.00 1.10 0.00 0.00 33.01 31.35 2qsx s GLN 112 CO 0.36 -0.53 1.77 1.79 -0.55 0.00 0.00 175.29 178.13 2qsx h THR 113 N 6.10 0.00 0.00 -0.34 1.35 -1.54 -0.41 112.91 118.07 2qsx h THR 113 Ca -0.28 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 64.89 2qsx h THR 113 Cb 1.10 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 2qsx h THR 113 CO 0.59 0.00 -0.27 0.71 -0.25 0.00 0.00 175.52 176.30 2qsx h THR 114 N 0.00 0.46 -2.19 6.82 1.35 -1.78 -3.38 112.91 114.19 2qsx h THR 114 Ca 0.00 -1.65 -0.56 0.00 -0.55 0.00 0.00 66.41 63.65 2qsx h THR 114 Cb 0.71 2.23 -0.41 0.00 -1.73 0.00 0.00 68.15 68.95 2qsx h THR 114 CO 0.00 0.26 -0.82 0.54 -0.25 0.00 0.00 175.52 175.26 2qsx n ARG 115 N -3.17 2.47 0.24 4.72 5.12 -0.17 -4.93 116.66 120.93 2qsx n ARG 115 Ca 0.03 -4.37 0.09 0.00 -1.93 0.00 0.00 57.85 51.66 2qsx n ARG 115 Cb 0.64 -2.06 0.59 0.00 -1.16 0.00 0.00 32.46 30.47 2qsx n ARG 115 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qsx h PRO 116 N 3.07 0.00 0.00 5.56 0.13 -1.73 -2.78 132.00 136.24 2qsx h PRO 116 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2qsx h PRO 116 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2qsx h PRO 116 CO 0.72 0.19 -0.07 -0.56 -0.23 0.00 0.00 178.00 178.05 2qsx h GLN 117 N 0.00 0.00 -0.39 0.86 -0.00 -1.91 -3.30 115.11 110.37 2qsx h GLN 117 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2qsx h GLN 117 Cb 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.81 2qsx h GLN 117 CO 0.02 0.07 -0.11 -0.07 -0.00 0.00 0.00 178.83 178.74 2qsx h LEU 118 N 0.00 -0.40 -0.66 0.06 3.38 -1.87 0.30 115.31 116.12 2qsx h LEU 118 Ca -0.00 0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2qsx h LEU 118 Cb 0.24 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qsx h LEU 118 CO 0.01 -0.14 -0.44 -0.50 0.09 0.00 0.00 178.44 177.46 2qsx h TRP 119 N -0.02 0.64 -0.72 1.13 -0.00 -1.81 0.46 115.95 115.62 2qsx h TRP 119 Ca 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2qsx h TRP 119 Cb 0.31 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.30 2qsx h TRP 119 CO -0.36 0.88 0.47 0.93 -0.00 0.00 0.00 178.44 180.35 2qsx h GLU 120 N 0.43 0.96 -0.32 0.49 4.39 -1.53 0.31 114.58 119.32 2qsx h GLU 120 Ca 0.03 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2qsx h GLU 120 Cb 0.94 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2qsx h GLU 120 CO 0.08 0.65 0.06 0.37 -1.16 0.00 0.00 179.01 179.01 2qsx h GLN 121 N 0.98 0.53 -0.69 2.33 4.15 -0.14 -2.62 115.11 119.65 2qsx h GLN 121 Ca 0.26 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.63 2qsx h GLN 121 Cb -0.09 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.47 2qsx h GLN 121 CO -0.05 0.61 0.36 0.35 -1.93 0.00 0.00 178.83 178.16 2qsx h PHE 122 N 0.36 0.64 -0.08 3.99 3.57 -0.63 0.50 116.94 125.29 2qsx h PHE 122 Ca 0.10 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2qsx h PHE 122 Cb 0.34 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2qsx h PHE 122 CO 0.02 0.25 0.14 -0.22 -2.23 0.00 0.00 178.31 176.27 2qsx h LYS 123 N 0.62 0.00 0.02 1.11 3.64 -0.12 -2.28 116.57 119.56 2qsx h LYS 123 Ca 0.33 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.39 2qsx h LYS 123 Cb 0.31 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2qsx h LYS 123 CO -0.24 0.00 -1.90 1.04 -2.27 0.00 0.00 179.45 176.08 2qsx n GLN 124 N -3.53 0.66 0.00 1.90 1.13 0.11 -4.01 117.38 113.65 2qsx n GLN 124 Ca -0.01 0.24 0.04 0.00 -1.94 0.00 0.00 57.00 55.34 2qsx n GLN 124 Cb 0.23 -1.73 0.22 0.00 0.11 0.00 0.00 30.24 29.07 2qsx n GLN 124 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2qsx n GLU 125 N -3.09 0.09 0.00 -1.09 -0.58 0.13 -4.89 120.64 111.22 2qsx n GLU 125 Ca -0.23 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2qsx n GLU 125 Cb 1.07 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 2qsx n GLU 125 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qsx n ASN 126 N -1.35 0.91 -0.98 1.62 3.02 -1.14 -5.08 115.26 112.26 2qsx n ASN 126 Ca 0.04 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 2qsx n ASN 126 Cb 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2qsx n ASN 126 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qsx n ASP 127 N 0.00 -5.84 0.00 6.41 -0.08 -1.26 -4.95 116.55 110.83 2qsx n ASP 127 Ca 0.00 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 2qsx n ASP 127 Cb 0.00 -1.80 0.00 0.00 2.34 0.00 0.00 41.12 41.66 2qsx n ASP 127 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2qsx n ILE 132 N -2.62 0.00 -4.53 5.18 5.41 -1.26 -5.07 119.36 116.47 2qsx n ILE 132 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.42 2qsx n ILE 132 Cb 0.27 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.08 2qsx n ILE 132 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qsx s THR 133 N -0.20 3.67 -0.01 1.39 2.01 -1.26 -5.05 115.64 116.18 2qsx s THR 133 Ca 0.00 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2qsx s THR 133 Cb 0.00 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 2qsx s THR 133 CO 0.00 0.52 0.34 -0.31 -0.69 0.00 0.00 174.62 174.48 2qsx s TYR 134 N 0.12 3.67 0.60 4.92 2.02 -1.26 -0.29 117.35 127.13 2qsx s TYR 134 Ca -0.02 0.83 -0.19 0.00 -0.37 0.00 0.00 57.07 57.31 2qsx s TYR 134 Cb -0.14 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 2qsx s TYR 134 CO 0.03 0.65 1.28 -1.58 -1.57 0.00 0.00 175.55 174.36 2qsx s HIS 135 N -1.13 2.23 -2.00 2.71 5.65 -0.47 -4.81 115.29 117.47 2qsx s HIS 135 Ca 0.23 1.46 0.28 0.00 0.25 0.00 0.00 55.06 57.29 2qsx s HIS 135 Cb -0.15 -3.66 1.69 0.00 -1.18 0.00 0.00 32.58 29.28 2qsx s HIS 135 CO 0.12 -2.70 2.05 -1.13 -0.65 0.00 0.00 174.74 172.43 2qsx n SER 136 N -1.56 0.00 -4.16 9.88 3.41 -1.26 -4.62 113.62 115.31 2qsx n SER 136 Ca 0.14 -0.94 -0.30 0.00 -0.26 0.00 0.00 58.87 57.51 2qsx n SER 136 Cb 0.48 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.26 2qsx n SER 136 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qsx s VAL 137 N -2.00 1.83 0.15 -3.33 1.01 -1.26 -5.13 120.40 111.68 2qsx s VAL 137 Ca 0.43 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.60 2qsx s VAL 137 Cb 0.20 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2qsx s VAL 137 CO 0.33 0.51 0.01 -0.83 0.00 0.00 0.00 175.10 175.11 2qsx s GLY 138 N 0.58 1.77 0.03 4.51 0.00 -1.26 -4.36 107.32 108.59 2qsx s GLY 138 Ca -0.14 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.32 2qsx s GLY 138 CO 0.04 -1.30 -0.11 -1.36 0.00 0.00 0.00 173.10 170.37 2qsx s PHE 139 N -1.62 0.94 0.26 1.90 0.40 -0.82 -4.91 117.98 114.13 2qsx s PHE 139 Ca 0.27 -0.31 0.13 0.00 -0.60 0.00 0.00 56.93 56.42 2qsx s PHE 139 Cb -0.10 -0.57 0.49 0.00 0.51 0.00 0.00 43.02 43.36 2qsx s PHE 139 CO 0.19 -0.00 1.68 1.49 0.70 0.00 0.00 175.22 179.27 2qsx h GLU 140 N 5.17 0.00 -4.99 0.44 4.81 -1.95 -1.45 114.58 116.61 2qsx h GLU 140 Ca -0.35 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.51 2qsx h GLU 140 Cb 1.19 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 2qsx h GLU 140 CO 0.45 0.52 -0.77 -1.01 -0.73 0.00 0.00 179.01 177.48 2qsx s HIS 141 N -3.70 0.98 0.28 0.92 3.76 -1.26 -4.46 115.29 111.81 2qsx s HIS 141 Ca -0.01 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 2qsx s HIS 141 Cb 0.13 -0.57 0.62 0.00 1.11 0.00 0.00 32.58 33.87 2qsx s HIS 141 CO 0.74 -0.00 1.79 0.74 -0.85 0.00 0.00 174.74 177.16 2qsx h PHE 142 N 4.72 1.01 0.00 1.40 0.04 -1.95 -1.94 116.94 120.21 2qsx h PHE 142 Ca -0.37 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.37 2qsx h PHE 142 Cb 1.19 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 2qsx h PHE 142 CO 0.58 0.29 -0.28 0.10 -0.60 0.00 0.00 178.31 178.40 2qsx h TYR 143 N 0.79 0.00 -0.08 -0.55 -0.00 -1.92 0.15 116.97 115.36 2qsx h TYR 143 Ca 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 59.09 2qsx h TYR 143 Cb 0.71 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.44 2qsx h TYR 143 CO -0.03 0.28 -0.58 -0.07 -0.00 0.00 0.00 178.16 177.76 2qsx h LEU 144 N 0.00 0.66 -1.07 0.10 3.38 -1.79 -1.96 115.31 114.63 2qsx h LEU 144 Ca -0.00 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.34 2qsx h LEU 144 Cb 0.59 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2qsx h LEU 144 CO 0.04 1.22 0.63 0.00 0.09 0.00 0.00 178.44 180.42 2qsx h ALA 145 N 0.45 1.40 -0.46 1.53 0.00 -1.01 0.18 119.26 121.36 2qsx h ALA 145 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qsx h ALA 145 Cb 1.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2qsx h ALA 145 CO 0.12 0.49 0.21 0.00 0.00 0.00 0.00 179.25 180.07 2qsx h GLU 147 N 0.59 1.19 -0.45 0.00 4.57 -0.77 -1.42 114.58 118.29 2qsx h GLU 147 Ca 0.16 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2qsx h GLU 147 Cb 0.13 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2qsx h GLU 147 CO -0.02 0.92 0.26 0.00 -1.18 0.00 0.00 179.01 178.99 2qsx h ALA 148 N 1.21 1.61 -0.22 2.92 0.00 -0.43 -2.30 119.26 122.05 2qsx h ALA 148 Ca 0.29 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2qsx h ALA 148 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qsx h ALA 148 CO -0.04 0.33 -0.06 0.28 0.00 0.00 0.00 179.25 179.76 2qsx h VAL 149 N 0.62 1.29 0.00 0.00 2.07 -0.49 -1.20 116.25 118.54 2qsx h VAL 149 Ca 0.16 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2qsx h VAL 149 Cb -0.01 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2qsx h VAL 149 CO -0.03 0.33 0.00 0.54 0.02 0.00 0.00 177.57 178.43 2qsx n ARG 150 N -4.58 0.00 -1.89 1.57 1.74 -0.60 -4.12 116.66 108.79 2qsx n ARG 150 Ca -0.04 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 2qsx n ARG 150 Cb 0.30 -1.31 0.03 0.00 -1.02 0.00 0.00 32.46 30.46 2qsx n ARG 150 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2qsx n GLU 152 N 1.61 0.71 0.06 5.56 2.13 -0.89 -5.02 120.64 124.81 2qsx n GLU 152 Ca 0.00 -1.34 0.12 0.00 0.66 0.00 0.00 57.16 56.60 2qsx n GLU 152 Cb 0.00 0.29 0.24 0.00 0.27 0.00 0.00 31.44 32.23 2qsx n GLU 152 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qsx n LYS 153 N -0.68 0.24 -2.77 5.31 4.76 -0.50 -5.03 118.16 119.48 2qsx n LYS 153 Ca -0.19 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2qsx n LYS 153 Cb 0.82 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2qsx n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qsx n GLY 154 N 1.36 -0.04 3.93 0.72 0.00 -1.26 -4.60 105.19 105.29 2qsx n GLY 154 Ca 0.04 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 2qsx n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qsx s LEU 155 N 0.00 4.33 0.15 0.99 1.43 -0.19 -4.55 118.68 120.85 2qsx s LEU 155 Ca 0.00 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2qsx s LEU 155 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2qsx s LEU 155 CO 0.00 0.08 0.01 0.00 0.23 0.00 0.00 176.35 176.67 2qsx s ALA 156 N -1.68 1.16 -0.20 4.21 0.00 -0.59 -0.25 121.76 124.42 2qsx s ALA 156 Ca 0.35 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2qsx s ALA 156 Cb -0.12 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2qsx s ALA 156 CO 0.28 -0.36 -0.00 -0.51 0.00 0.00 0.00 175.76 175.17 2qsx s LEU 157 N -3.12 3.24 -0.02 0.00 1.43 -1.26 -0.29 118.68 118.66 2qsx s LEU 157 Ca 0.22 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2qsx s LEU 157 Cb 0.06 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2qsx s LEU 157 CO 0.02 0.06 -0.07 -0.22 0.23 0.00 0.00 176.35 176.37 2qsx s LEU 158 N 1.02 1.73 0.27 1.79 2.96 -0.39 -4.90 118.68 121.17 2qsx s LEU 158 Ca 0.02 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 2qsx s LEU 158 Cb -0.14 -0.47 -0.13 0.00 0.50 0.00 0.00 46.19 45.95 2qsx s LEU 158 CO 0.02 0.04 1.41 -2.65 -1.32 0.00 0.00 176.35 173.84 2qsx n PRO 159 N 3.38 2.17 -0.21 0.98 -0.02 -1.26 -0.38 135.00 139.66 2qsx n PRO 159 Ca -0.19 0.77 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2qsx n PRO 159 Cb 0.54 -2.43 0.11 0.00 -0.02 0.00 0.00 33.50 31.70 2qsx n PRO 159 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qsx h ASP 160 N 3.90 -0.29 0.00 2.55 3.04 -0.94 -0.66 116.42 124.02 2qsx h ASP 160 Ca -0.46 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2qsx h ASP 160 Cb 1.27 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.84 2qsx h ASP 160 CO 0.73 -0.12 0.00 2.22 -2.04 0.00 0.00 179.24 180.03 2qsx n PHE 161 N -5.29 0.00 0.00 4.15 1.16 -1.26 -1.65 117.46 114.57 2qsx n PHE 161 Ca 0.10 -0.18 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 2qsx n PHE 161 Cb 0.37 -0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.06 2qsx n PHE 161 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2qsx n ALA 163 N 1.08 0.00 0.03 1.98 0.00 -0.26 -4.51 120.51 118.83 2qsx n ALA 163 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2qsx n ALA 163 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 2qsx n ALA 163 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2qsx h GLN 164 N 0.00 -0.32 -0.24 0.00 4.15 -1.58 0.18 115.11 117.31 2qsx h GLN 164 Ca 0.00 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 2qsx h GLN 164 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2qsx h GLN 164 CO 0.00 -0.21 -0.59 0.35 -1.93 0.00 0.00 178.83 176.45 2qsx h PHE 165 N -0.33 0.98 -0.58 3.99 3.57 -1.82 -0.84 116.94 121.90 2qsx h PHE 165 Ca 0.08 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 2qsx h PHE 165 Cb 0.45 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2qsx h PHE 165 CO -0.31 1.17 0.23 0.77 -2.23 0.00 0.00 178.31 177.94 2qsx h SER 166 N 0.58 0.77 -0.04 0.41 0.02 -1.74 0.64 113.55 114.19 2qsx h SER 166 Ca 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2qsx h SER 166 Cb 1.18 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 2qsx h SER 166 CO 0.12 0.70 -0.01 0.40 -1.14 0.00 0.00 176.83 176.90 2qsx h ILE 167 N 0.84 1.29 -0.65 3.27 2.04 -0.46 0.05 117.51 123.88 2qsx h ILE 167 Ca 0.20 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 65.32 2qsx h ILE 167 Cb 0.17 1.80 -0.10 0.00 -0.74 0.00 0.00 36.82 37.95 2qsx h ILE 167 CO -0.02 0.23 0.07 0.25 0.00 0.00 0.00 178.15 178.69 2qsx h LEU 168 N -0.28 -0.14 -0.60 1.44 5.85 -0.36 -1.83 115.31 119.40 2qsx h LEU 168 Ca 0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qsx h LEU 168 Cb 0.38 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2qsx h LEU 168 CO 0.00 -0.07 0.00 -2.11 -0.34 0.00 0.00 178.44 175.92 2qsx n ARG 169 N -5.22 1.41 -0.68 1.25 1.85 0.14 -4.92 116.66 110.49 2qsx n ARG 169 Ca 0.10 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.36 2qsx n ARG 169 Cb 0.38 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 2qsx n ARG 169 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qsx n GLY 170 N 1.08 0.64 0.10 2.89 0.00 -0.69 -4.96 105.19 104.25 2qsx n GLY 170 Ca 0.20 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2qsx n GLY 170 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qsx h ASP 171 N 0.00 0.41 -5.51 1.61 3.32 -1.21 -3.47 116.42 111.57 2qsx h ASP 171 Ca 0.00 -0.44 -0.21 0.00 0.02 0.00 0.00 57.03 56.40 2qsx h ASP 171 Cb 0.05 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 39.35 2qsx h ASP 171 CO 0.00 1.35 -0.42 0.27 -1.72 0.00 0.00 179.24 178.72 2qsx s ILE 172 N -2.65 0.00 0.08 0.35 -4.36 -1.19 -4.51 121.20 108.92 2qsx s ILE 172 Ca -0.04 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2qsx s ILE 172 Cb 0.07 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 2qsx s ILE 172 CO 0.88 0.00 -0.10 0.00 0.24 0.00 0.00 174.94 175.96 2qsx s GLN 173 N -3.95 0.79 -0.15 0.37 -2.07 -0.02 -4.41 119.66 110.22 2qsx s GLN 173 Ca 0.33 -1.06 -0.27 0.00 -1.82 0.00 0.00 55.36 52.55 2qsx s GLN 173 Cb 0.04 -0.54 -0.01 0.00 -1.09 0.00 0.00 33.01 31.41 2qsx s GLN 173 CO 0.13 0.09 0.89 -1.58 -1.32 0.00 0.00 175.29 173.50 2qsx s HIS 174 N -2.08 3.45 -0.29 9.60 5.65 -1.26 -1.26 115.29 129.10 2qsx s HIS 174 Ca 0.02 1.36 -0.18 0.00 0.25 0.00 0.00 55.06 56.51 2qsx s HIS 174 Cb -0.05 -3.07 -0.02 0.00 -1.18 0.00 0.00 32.58 28.26 2qsx s HIS 174 CO 0.00 -0.24 0.51 0.42 -0.65 0.00 0.00 174.74 174.79 2qsx s ILE 175 N 2.13 5.05 -1.52 0.89 -1.09 0.58 -4.54 121.20 122.69 2qsx s ILE 175 Ca 0.41 0.69 -0.00 0.00 -2.23 0.00 0.00 60.65 59.52 2qsx s ILE 175 Cb -0.17 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2qsx s ILE 175 CO 0.14 -0.02 0.02 0.61 -1.23 0.00 0.00 174.94 174.46 2qsx n GLY 176 N 4.55 -0.50 2.14 6.18 0.00 -1.26 -2.17 105.19 114.12 2qsx n GLY 176 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2qsx n GLY 176 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qsx n ASN 177 N -1.96 -2.99 -4.75 1.61 5.15 -1.26 -4.92 115.26 106.15 2qsx n ASN 177 Ca -0.21 0.25 -0.40 0.00 -0.60 0.00 0.00 54.58 53.62 2qsx n ASN 177 Cb 0.66 -2.71 -0.05 0.00 -0.53 0.00 0.00 39.78 37.14 2qsx n ASN 177 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qsx s LEU 178 N -4.51 4.53 0.18 1.20 1.43 -0.92 -5.02 118.68 115.57 2qsx s LEU 178 Ca 0.00 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.75 2qsx s LEU 178 Cb 0.00 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2qsx s LEU 178 CO 0.00 0.07 0.10 -1.59 0.23 0.00 0.00 176.35 175.16 2qsx s LYS 179 N -0.51 1.12 -0.06 1.70 -2.85 -1.26 -1.84 119.74 116.04 2qsx s LYS 179 Ca 0.40 -1.57 -0.02 0.00 -1.00 0.00 0.00 55.97 53.77 2qsx s LYS 179 Cb -0.23 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.77 2qsx s LYS 179 CO 0.27 -0.33 0.13 -1.17 0.10 0.00 0.00 175.35 174.35 2qsx s LEU 180 N -3.14 0.54 -0.40 2.77 2.96 -0.02 -4.97 118.68 116.41 2qsx s LEU 180 Ca 0.33 0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 54.29 2qsx s LEU 180 Cb 0.07 0.24 0.01 0.00 0.50 0.00 0.00 46.19 47.01 2qsx s LEU 180 CO 0.08 -0.18 0.64 -1.00 -1.32 0.00 0.00 176.35 174.58 2qsx s HIS 181 N 1.51 3.10 -0.48 5.38 3.76 -1.26 -0.44 115.29 126.86 2qsx s HIS 181 Ca -0.05 0.12 0.24 0.00 -0.15 0.00 0.00 55.06 55.22 2qsx s HIS 181 Cb -0.12 -3.27 0.31 0.00 1.11 0.00 0.00 32.58 30.60 2qsx s HIS 181 CO -0.05 -0.77 1.38 0.66 -0.85 0.00 0.00 174.74 175.11 2qsx h SER 182 N 8.71 0.00 0.00 1.40 4.64 -1.95 -3.47 113.55 122.87 2qsx h SER 182 Ca -0.26 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2qsx h SER 182 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2qsx h SER 182 CO 0.87 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 2qsx n GLY 183 N 1.22 0.73 3.83 -0.77 0.00 -1.26 -5.06 105.19 103.88 2qsx n GLY 183 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2qsx n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qsx s TYR 184 N -2.28 2.88 0.06 1.61 1.51 -1.26 -1.51 117.35 118.36 2qsx s TYR 184 Ca 0.00 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2qsx s TYR 184 Cb 0.00 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2qsx s TYR 184 CO 0.00 0.24 -0.02 0.20 -1.11 0.00 0.00 175.55 174.86 2qsx s GLY 185 N -3.96 0.54 -0.26 0.71 0.00 0.29 -0.38 107.32 104.26 2qsx s GLY 185 Ca 0.40 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 2qsx s GLY 185 CO 0.26 -1.32 0.34 -0.19 0.00 0.00 0.00 173.10 172.18 2qsx s TYR 186 N -3.94 3.27 -0.04 1.90 2.02 0.12 -1.35 117.35 119.33 2qsx s TYR 186 Ca 0.09 0.39 0.02 0.00 -0.37 0.00 0.00 57.07 57.21 2qsx s TYR 186 Cb 0.08 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2qsx s TYR 186 CO -0.08 -0.17 -0.08 0.71 -1.57 0.00 0.00 175.55 174.36 2qsx s TYR 187 N 1.85 2.88 -0.12 2.71 2.02 0.10 0.06 117.35 126.86 2qsx s TYR 187 Ca 0.14 -0.03 -0.19 0.00 -0.37 0.00 0.00 57.07 56.62 2qsx s TYR 187 Cb -0.15 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 2qsx s TYR 187 CO 0.09 0.32 0.54 0.08 -1.57 0.00 0.00 175.55 175.01 2qsx s VAL 188 N -0.86 5.15 -0.15 0.71 1.01 -0.13 -1.54 120.40 124.58 2qsx s VAL 188 Ca 0.14 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.20 2qsx s VAL 188 Cb -0.11 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2qsx s VAL 188 CO 0.03 0.29 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 2qsx s VAL 189 N 0.78 1.61 -0.13 2.92 1.01 -0.02 -1.45 120.40 125.14 2qsx s VAL 189 Ca 0.29 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2qsx s VAL 189 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2qsx s VAL 189 CO 0.12 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 2qsx s ILE 190 N 1.42 2.68 0.30 2.22 1.01 -0.54 -0.93 121.20 127.36 2qsx s ILE 190 Ca 0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 2qsx s ILE 190 Cb -0.13 -2.10 -0.13 0.00 0.01 0.00 0.00 42.46 40.11 2qsx s ILE 190 CO -0.10 0.53 1.35 -2.65 0.00 0.00 0.00 174.94 174.07 2qsx n PRO 191 N 3.66 2.14 -0.29 2.79 -0.02 -1.26 -4.78 135.00 137.23 2qsx n PRO 191 Ca -0.19 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2qsx n PRO 191 Cb 0.53 -2.37 0.25 0.00 -0.02 0.00 0.00 33.50 31.88 2qsx n PRO 191 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2qsx h ASN 192 N 3.26 0.38 0.78 2.55 7.08 -1.98 0.10 115.58 127.75 2qsx h ASN 192 Ca -0.46 0.12 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 2qsx h ASN 192 Cb 1.28 0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.60 2qsx h ASN 192 CO 0.68 0.10 0.00 2.19 -2.08 0.00 0.00 177.43 178.32 2qsx h PHE 193 N 0.48 0.00 -0.04 4.14 -5.15 -2.01 -2.20 116.94 112.16 2qsx h PHE 193 Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 2qsx h PHE 193 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.99 2qsx h PHE 193 CO -0.13 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.72 2qsx n ARG 194 N -2.37 1.82 0.30 6.09 5.12 0.35 -4.34 116.66 123.64 2qsx n ARG 194 Ca 0.02 -1.20 0.19 0.00 -1.93 0.00 0.00 57.85 54.93 2qsx n ARG 194 Cb 0.24 -1.47 0.96 0.00 -1.16 0.00 0.00 32.46 31.03 2qsx n ARG 194 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2qsx h LEU 195 N 2.85 0.00 -2.99 0.55 -0.00 -1.35 -1.70 115.31 112.67 2qsx h LEU 195 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2qsx h LEU 195 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2qsx h LEU 195 CO 0.00 0.03 0.00 0.35 -0.00 0.00 0.00 178.44 178.82 2qsx n THR 196 N -3.28 1.27 -2.37 0.22 -2.24 -1.26 -4.92 114.28 101.69 2qsx n THR 196 Ca -0.02 -1.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.06 2qsx n THR 196 Cb 0.17 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2qsx n THR 196 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qsx s SER 197 N -1.37 6.98 0.09 3.42 0.15 -0.64 -4.96 113.70 117.37 2qsx s SER 197 Ca 0.16 1.94 -0.23 0.00 0.70 0.00 0.00 55.95 58.52 2qsx s SER 197 Cb 0.11 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 2qsx s SER 197 CO 0.06 -0.62 1.71 -0.09 1.20 0.00 0.00 173.24 175.50 2qsx h ARG 198 N 7.53 0.03 -0.78 5.44 9.65 -1.94 -1.23 114.38 133.07 2qsx h ARG 198 Ca -0.36 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.60 2qsx h ARG 198 Cb 1.17 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.68 2qsx h ARG 198 CO 0.88 0.05 0.44 1.57 2.80 0.00 0.00 179.97 185.71 2qsx h LYS 199 N -0.01 0.73 -0.12 0.20 2.10 -1.97 -0.12 116.57 117.39 2qsx h LYS 199 Ca 0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2qsx h LYS 199 Cb 0.03 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.19 2qsx h LYS 199 CO -0.00 0.48 0.03 0.28 -2.00 0.00 0.00 179.45 178.25 2qsx h VAL 200 N 0.75 1.18 -0.35 0.07 2.07 -1.88 -1.69 116.25 116.41 2qsx h VAL 200 Ca 0.37 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2qsx h VAL 200 Cb 0.32 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2qsx h VAL 200 CO -0.23 0.17 0.10 0.00 0.02 0.00 0.00 177.57 177.63 2qsx h ALA 201 N 0.84 1.54 -0.33 1.67 0.00 -0.64 -0.50 119.26 121.84 2qsx h ALA 201 Ca 0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2qsx h ALA 201 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qsx h ALA 201 CO -0.00 0.35 -0.12 -0.07 0.00 0.00 0.00 179.25 179.41 2qsx h LEU 202 N 0.49 0.67 -0.37 0.00 3.38 -0.80 -0.42 115.31 118.25 2qsx h LEU 202 Ca 0.12 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2qsx h LEU 202 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qsx h LEU 202 CO -0.01 0.91 0.00 0.15 0.09 0.00 0.00 178.44 179.58 2qsx h PHE 203 N 0.43 0.72 -0.21 1.13 3.57 -1.11 -1.42 116.94 120.05 2qsx h PHE 203 Ca 0.08 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2qsx h PHE 203 Cb 0.63 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2qsx h PHE 203 CO 0.06 0.75 0.11 1.25 -2.23 0.00 0.00 178.31 178.24 2qsx h HIS 204 N 0.48 0.20 -0.77 0.41 2.76 -1.02 0.83 115.15 118.03 2qsx h HIS 204 Ca 0.11 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2qsx h HIS 204 Cb 0.46 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 2qsx h HIS 204 CO 0.04 0.11 0.51 -0.44 -1.30 0.00 0.00 177.93 176.85 2qsx h ASP 205 N 0.23 0.89 -0.18 3.26 5.19 -0.98 0.09 116.42 124.92 2qsx h ASP 205 Ca 0.09 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2qsx h ASP 205 Cb 0.02 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 2qsx h ASP 205 CO -0.06 0.64 0.10 -0.25 -3.12 0.00 0.00 179.24 176.56 2qsx h TRP 206 N 1.05 0.25 -0.41 4.55 7.01 -0.63 0.23 115.95 128.00 2qsx h TRP 206 Ca 0.28 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.33 2qsx h TRP 206 Cb -0.12 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 2qsx h TRP 206 CO -0.00 0.24 0.12 -0.07 -2.79 0.00 0.00 178.44 175.94 2qsx h LEU 207 N 0.19 0.09 -0.14 0.65 3.38 -0.02 -1.26 115.31 118.20 2qsx h LEU 207 Ca 0.06 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2qsx h LEU 207 Cb 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qsx h LEU 207 CO -0.01 0.09 0.05 0.11 0.09 0.00 0.00 178.44 178.77 2qsx h LYS 208 N 0.26 0.12 -0.75 1.13 1.57 -0.74 0.02 116.57 118.19 2qsx h LYS 208 Ca 0.19 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 2qsx h LYS 208 Cb 0.20 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 2qsx h LYS 208 CO -0.22 0.08 0.23 -0.44 -0.57 0.00 0.00 179.45 178.53 2qsx h ASP 209 N 0.12 0.11 0.89 0.86 3.32 -0.61 -0.71 116.42 120.39 2qsx h ASP 209 Ca 0.06 0.14 -0.23 0.00 0.02 0.00 0.00 57.03 57.02 2qsx h ASP 209 Cb 0.03 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2qsx h ASP 209 CO -0.06 0.00 -1.16 0.11 -1.72 0.00 0.00 179.24 176.41 2qsx h LYS 210 N 0.32 0.00 -0.01 3.56 1.79 -0.69 -3.40 116.57 118.15 2qsx h LYS 210 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2qsx h LYS 210 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2qsx h LYS 210 CO -0.48 0.86 -0.12 1.28 -1.08 0.00 0.00 179.45 179.90 2qsx n LEU 211 N -3.27 1.04 0.00 2.94 4.77 -0.06 -5.11 117.00 117.31 2qsx n LEU 211 Ca -0.04 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2qsx n LEU 211 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2qsx n LEU 211 CO 0.46 0.22 0.01 0.41 -1.33 0.00 0.00 177.39 177.16