#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc n ASN 2 N 0.00 0.00 0.00 3.17 4.13 -1.26 -4.79 115.26 116.51 2qlc n ASN 2 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qlc n ASN 2 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2qlc n ASN 2 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qlc n LEU 3 N 0.00 1.45 -4.85 3.41 7.99 -1.26 -5.06 117.00 118.68 2qlc n LEU 3 Ca 0.00 -1.45 -0.32 0.00 -0.01 0.00 0.00 56.01 54.23 2qlc n LEU 3 Cb 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.25 2qlc n LEU 3 CO 0.00 0.36 0.42 -0.75 -1.51 0.00 0.00 177.39 175.91 2qlc s LYS 4 N -0.69 3.99 -0.28 3.23 2.20 -1.26 -1.11 119.74 125.82 2qlc s LYS 4 Ca 0.00 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 2qlc s LYS 4 Cb 0.00 -2.43 0.07 0.00 -1.51 0.00 0.00 37.83 33.97 2qlc s LYS 4 CO 0.00 0.15 -0.02 0.08 -0.36 0.00 0.00 175.35 175.19 2qlc s VAL 5 N -2.01 1.79 -1.56 4.02 1.01 -0.21 -4.95 120.40 118.50 2qlc s VAL 5 Ca 0.54 -1.62 0.15 0.00 0.00 0.00 0.00 61.98 61.04 2qlc s VAL 5 Cb -0.10 -2.12 0.26 0.00 0.00 0.00 0.00 36.38 34.42 2qlc s VAL 5 CO 0.18 -0.27 1.15 0.29 0.00 0.00 0.00 175.10 176.44 2qlc n LYS 6 N 4.53 1.91 0.00 2.72 5.02 -1.26 -4.88 118.16 126.20 2qlc n LYS 6 Ca -0.07 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 2qlc n LYS 6 Cb 0.43 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2qlc n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qlc n GLY 7 N 0.84 -0.77 0.15 0.72 0.00 -1.26 -5.02 105.19 99.85 2qlc n GLY 7 Ca 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2qlc n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlc h ALA 8 N 0.00 1.09 -0.84 4.61 0.00 -2.01 -2.74 119.26 119.37 2qlc h ALA 8 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2qlc h ALA 8 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2qlc h ALA 8 CO 0.00 0.68 0.46 -0.09 0.00 0.00 0.00 179.25 180.30 2qlc h ARG 9 N 0.00 1.17 -0.86 0.00 2.43 -1.99 -2.35 114.38 112.77 2qlc h ARG 9 Ca -0.01 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2qlc h ARG 9 Cb 0.97 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 2qlc h ARG 9 CO 0.07 0.85 0.56 -0.44 -1.51 0.00 0.00 179.97 179.50 2qlc h ASP 10 N 1.17 0.82 -0.14 -3.80 3.32 -1.86 -0.97 116.42 114.96 2qlc h ASP 10 Ca 0.30 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2qlc h ASP 10 Cb 0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qlc h ASP 10 CO -0.05 0.52 -0.01 0.58 -1.72 0.00 0.00 179.24 178.57 2qlc h VAL 11 N 0.93 1.26 -0.64 -1.35 2.07 -1.50 -2.07 116.25 114.95 2qlc h VAL 11 Ca 0.38 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 67.10 2qlc h VAL 11 Cb 0.26 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2qlc h VAL 11 CO -0.14 0.25 0.32 0.15 0.02 0.00 0.00 177.57 178.17 2qlc h PHE 12 N -0.01 0.59 -0.46 1.57 3.57 -1.18 -1.10 116.94 119.92 2qlc h PHE 12 Ca 0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2qlc h PHE 12 Cb 0.39 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2qlc h PHE 12 CO 0.04 0.25 -0.07 0.93 -2.23 0.00 0.00 178.31 177.22 2qlc h GLU 13 N 0.59 0.86 -0.55 1.11 4.39 -1.11 -2.83 114.58 117.03 2qlc h GLU 13 Ca 0.30 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2qlc h GLU 13 Cb 0.26 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2qlc h GLU 13 CO -0.22 0.94 0.22 -0.92 -1.16 0.00 0.00 179.01 177.87 2qlc h TYR 14 N 0.70 0.80 0.00 4.33 3.20 -1.25 -3.24 116.97 121.51 2qlc h TYR 14 Ca 0.12 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2qlc h TYR 14 Cb 0.60 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2qlc h TYR 14 CO 0.05 0.62 -0.49 0.52 -1.64 0.00 0.00 178.16 177.22 2qlc h MET 15 N 0.79 0.00 -6.53 1.82 2.86 -0.96 -3.42 114.93 109.48 2qlc h MET 15 Ca 0.19 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.30 2qlc h MET 15 Cb 0.16 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.85 2qlc h MET 15 CO -0.02 0.49 0.79 -1.59 1.06 0.00 0.00 176.91 177.64 2qlc s LYS 16 N -3.55 4.29 0.00 1.72 -2.85 -1.11 -0.74 119.74 117.51 2qlc s LYS 16 Ca -0.00 2.14 0.00 0.00 -1.00 0.00 0.00 55.97 57.10 2qlc s LYS 16 Cb 0.11 -3.30 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 2qlc s LYS 16 CO 0.72 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 176.07 2qlc n GLY 17 N 3.60 3.31 0.78 0.59 0.00 -1.26 -4.87 105.19 107.34 2qlc n GLY 17 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2qlc n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qlc n ARG 18 N -2.00 1.90 -2.64 1.61 1.74 0.09 -4.79 116.66 112.57 2qlc n ARG 18 Ca 0.00 -1.58 -0.43 0.00 -0.77 0.00 0.00 57.85 55.07 2qlc n ARG 18 Cb 0.00 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2qlc n ARG 18 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qlc s ILE 19 N -2.14 4.33 0.39 0.55 1.01 -1.21 -4.94 121.20 119.19 2qlc s ILE 19 Ca 0.24 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.31 2qlc s ILE 19 Cb 0.19 -4.53 0.19 0.00 0.01 0.00 0.00 42.46 38.33 2qlc s ILE 19 CO 0.39 -0.83 1.96 -0.65 0.00 0.00 0.00 174.94 175.82 2qlc h PRO 20 N 8.86 0.35 -2.07 2.79 0.11 -1.96 -3.37 132.00 136.70 2qlc h PRO 20 Ca -0.22 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.61 2qlc h PRO 20 Cb 1.06 -0.06 -0.32 0.00 0.11 0.00 0.00 31.00 31.80 2qlc h PRO 20 CO 1.09 0.37 -0.54 0.34 -0.21 0.00 0.00 178.00 179.05 2qlc s ASP 21 N -6.82 0.71 0.00 -2.05 2.15 -1.26 -5.04 116.67 104.35 2qlc s ASP 21 Ca -0.07 -0.05 0.14 0.00 0.43 0.00 0.00 52.55 53.01 2qlc s ASP 21 Cb 0.16 0.86 0.86 0.00 -0.30 0.00 0.00 42.92 44.50 2qlc s ASP 21 CO 0.73 -0.32 1.28 -0.62 -0.17 0.00 0.00 175.17 176.08 2qlc n GLU 22 N 5.35 0.52 0.07 4.34 1.02 -1.26 -1.21 120.64 129.47 2qlc n GLU 22 Ca -0.04 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 2qlc n GLU 22 Cb 0.49 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 2qlc n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2qlc n THR 23 N -0.93 0.43 -4.04 2.62 -2.24 -1.26 -4.36 114.28 104.50 2qlc n THR 23 Ca 0.11 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 2qlc n THR 23 Cb 0.05 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 2qlc n THR 23 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qlc s LYS 24 N -3.29 3.11 0.02 -0.78 -0.14 -0.35 -4.80 119.74 113.51 2qlc s LYS 24 Ca 0.02 -0.80 -0.20 0.00 -1.36 0.00 0.00 55.97 53.63 2qlc s LYS 24 Cb 0.12 -2.75 -0.06 0.00 -1.68 0.00 0.00 37.83 33.46 2qlc s LYS 24 CO 0.78 0.48 0.57 -1.21 -0.76 0.00 0.00 175.35 175.22 2qlc s GLU 25 N -3.27 4.26 0.14 1.68 2.02 -1.26 -4.76 118.70 117.51 2qlc s GLU 25 Ca 0.32 0.71 0.04 0.00 0.02 0.00 0.00 54.97 56.06 2qlc s GLU 25 Cb -0.10 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2qlc s GLU 25 CO 0.25 0.47 -0.08 -1.01 0.02 0.00 0.00 175.26 174.92 2qlc s HIS 26 N -0.54 1.20 -0.08 1.61 3.76 -1.26 -1.87 115.29 118.11 2qlc s HIS 26 Ca 0.30 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 2qlc s HIS 26 Cb -0.19 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2qlc s HIS 26 CO 0.17 -0.01 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.81 2qlc s LEU 27 N -3.15 3.10 -0.01 0.89 0.20 0.57 -3.24 118.68 117.04 2qlc s LEU 27 Ca 0.17 -0.08 0.08 0.00 0.69 0.00 0.00 54.13 54.99 2qlc s LEU 27 Cb 0.04 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2qlc s LEU 27 CO 0.00 0.32 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.78 2qlc s PHE 28 N -0.55 2.13 -0.20 5.38 0.08 0.61 -0.19 117.98 125.24 2qlc s PHE 28 Ca 0.08 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 2qlc s PHE 28 Cb -0.12 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2qlc s PHE 28 CO 0.02 -0.01 -0.14 0.08 -0.10 0.00 0.00 175.22 175.07 2qlc s VAL 29 N -0.60 2.53 -0.30 -0.44 1.01 -0.59 -1.14 120.40 120.88 2qlc s VAL 29 Ca 0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2qlc s VAL 29 Cb -0.09 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2qlc s VAL 29 CO -0.00 0.45 0.43 -0.76 0.00 0.00 0.00 175.10 175.21 2qlc s LEU 30 N 1.34 4.17 -0.27 3.92 1.02 0.20 -1.42 118.68 127.64 2qlc s LEU 30 Ca 0.04 0.17 -0.18 0.00 0.02 0.00 0.00 54.13 54.18 2qlc s LEU 30 Cb -0.14 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.56 2qlc s LEU 30 CO -0.09 -0.29 0.54 -0.36 0.02 0.00 0.00 176.35 176.17 2qlc s PHE 31 N 2.18 3.25 -0.05 0.29 0.08 -0.70 -1.17 117.98 121.85 2qlc s PHE 31 Ca 0.16 0.61 0.02 0.00 0.12 0.00 0.00 56.93 57.84 2qlc s PHE 31 Cb -0.16 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 2qlc s PHE 31 CO 0.11 -0.33 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.29 2qlc s LEU 32 N 2.37 3.00 1.11 -0.37 1.02 0.12 0.01 118.68 125.95 2qlc s LEU 32 Ca 0.22 -0.11 -0.18 0.00 0.02 0.00 0.00 54.13 54.08 2qlc s LEU 32 Cb -0.15 -1.66 0.25 0.00 0.02 0.00 0.00 46.19 44.65 2qlc s LEU 32 CO 0.10 0.34 1.18 -0.94 0.02 0.00 0.00 176.35 177.05 2qlc s SER 33 N -0.90 1.79 0.51 2.29 1.04 0.48 -0.88 113.70 118.02 2qlc s SER 33 Ca 0.13 0.55 0.31 0.00 0.48 0.00 0.00 55.95 57.42 2qlc s SER 33 Cb -0.11 -0.76 1.12 0.00 0.10 0.00 0.00 66.02 66.36 2qlc s SER 33 CO 0.02 -3.58 1.89 0.00 0.98 0.00 0.00 173.24 172.55 2qlc h THR 34 N -2.21 0.00 -0.75 2.02 1.03 -1.94 -2.20 112.91 108.85 2qlc h THR 34 Ca -0.45 -0.61 -0.27 0.00 -0.01 0.00 0.00 66.41 65.06 2qlc h THR 34 Cb 1.28 1.60 -0.16 0.00 -1.07 0.00 0.00 68.15 69.79 2qlc h THR 34 CO 0.38 0.00 0.35 0.29 -0.01 0.00 0.00 175.52 176.52 2qlc n LYS 35 N -3.05 3.15 -3.28 0.00 5.02 -1.26 -4.91 118.16 113.83 2qlc n LYS 35 Ca 0.01 -2.79 -0.24 0.00 -2.02 0.00 0.00 58.31 53.28 2qlc n LYS 35 Cb 0.35 -2.13 0.04 0.00 -0.02 0.00 0.00 35.03 33.27 2qlc n LYS 35 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qlc n ASN 36 N -0.34 -5.60 -4.76 4.39 3.02 -0.83 -4.80 115.26 106.34 2qlc n ASN 36 Ca 0.42 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 2qlc n ASN 36 Cb 1.38 -4.51 -0.07 0.00 -0.61 0.00 0.00 39.78 35.97 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qlc s GLN 37 N -5.97 4.13 -0.33 3.52 2.00 -1.26 -1.04 119.66 120.71 2qlc s GLN 37 Ca 0.41 0.11 -0.29 0.00 -2.00 0.00 0.00 55.36 53.59 2qlc s GLN 37 Cb -0.19 -3.38 -0.01 0.00 0.80 0.00 0.00 33.01 30.24 2qlc s GLN 37 CO 0.51 0.35 1.52 0.42 -0.50 0.00 0.00 175.29 177.60 2qlc s ILE 38 N 0.12 3.80 0.10 -2.34 1.01 -0.27 -0.39 121.20 123.23 2qlc s ILE 38 Ca 0.17 0.86 -0.13 0.00 0.00 0.00 0.00 60.65 61.54 2qlc s ILE 38 Cb -0.13 -3.96 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 2qlc s ILE 38 CO 0.05 -0.52 1.30 -0.07 0.00 0.00 0.00 174.94 175.70 2qlc h LEU 39 N 12.16 0.91 -7.03 2.97 3.38 -0.76 -3.48 115.31 123.46 2qlc h LEU 39 Ca -0.30 -0.62 0.36 0.00 0.09 0.00 0.00 57.88 57.41 2qlc h LEU 39 Cb 1.13 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 2qlc h LEU 39 CO 1.04 1.39 0.96 -0.60 0.09 0.00 0.00 178.44 181.32 2qlc s ARG 40 N -3.77 0.08 0.03 1.13 3.52 -1.25 -5.04 118.95 113.65 2qlc s ARG 40 Ca -0.11 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2qlc s ARG 40 Cb 0.08 0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.48 2qlc s ARG 40 CO 0.89 -0.04 -0.08 -3.38 -0.81 0.00 0.00 175.30 171.89 2qlc s HIS 41 N -2.09 0.71 -0.00 5.12 -3.43 -1.26 -1.73 115.29 112.61 2qlc s HIS 41 Ca 0.14 -0.38 -0.16 0.00 -0.80 0.00 0.00 55.06 53.86 2qlc s HIS 41 Cb 0.04 -0.43 -0.06 0.00 -1.43 0.00 0.00 32.58 30.71 2qlc s HIS 41 CO -0.05 -0.04 0.44 -2.00 -2.00 0.00 0.00 174.74 171.09 2qlc s GLU 42 N -1.16 4.02 -0.18 -0.38 2.12 -0.51 -4.95 118.70 117.66 2qlc s GLU 42 Ca -0.05 0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 2qlc s GLU 42 Cb -0.08 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.06 2qlc s GLU 42 CO 0.00 0.62 -0.13 0.99 -0.54 0.00 0.00 175.26 176.21 2qlc s THR 43 N -0.88 2.80 -0.23 -1.70 2.01 -1.26 -1.54 115.64 114.83 2qlc s THR 43 Ca 0.25 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2qlc s THR 43 Cb -0.17 -2.21 0.05 0.00 0.01 0.00 0.00 72.50 70.18 2qlc s THR 43 CO 0.14 0.49 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.84 2qlc s ILE 44 N 1.07 1.77 0.03 1.82 1.01 0.73 -4.99 121.20 122.64 2qlc s ILE 44 Ca -0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.05 2qlc s ILE 44 Cb -0.15 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 2qlc s ILE 44 CO -0.03 0.01 1.18 0.28 0.00 0.00 0.00 174.94 176.37 2qlc s THR 45 N 1.30 4.16 0.29 2.92 -1.32 -1.26 -0.31 115.64 121.42 2qlc s THR 45 Ca -0.05 1.54 0.10 0.00 -1.21 0.00 0.00 61.69 62.07 2qlc s THR 45 Cb -0.18 -3.99 -0.05 0.00 -1.51 0.00 0.00 72.50 66.76 2qlc s THR 45 CO -0.06 0.09 -0.14 0.27 -2.21 0.00 0.00 174.62 172.57 2qlc s ILE 46 N 1.30 2.17 0.00 5.08 -4.36 -0.78 -4.94 121.20 119.67 2qlc s ILE 46 Ca 0.57 -2.28 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 2qlc s ILE 46 Cb -0.28 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2qlc s ILE 46 CO 0.28 -0.36 0.00 0.61 0.24 0.00 0.00 174.94 175.70 2qlc n GLY 47 N -0.62 0.78 0.28 6.27 0.00 -1.26 -4.68 105.19 105.96 2qlc n GLY 47 Ca -0.06 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.36 2qlc n GLY 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qlc h THR 48 N 0.73 0.15 -0.53 2.61 1.35 -2.04 -2.95 112.91 112.23 2qlc h THR 48 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2qlc h THR 48 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2qlc h THR 48 CO 0.00 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 2qlc n LEU 49 N -3.21 3.47 -1.38 3.87 4.77 -1.26 -4.59 117.00 118.67 2qlc n LEU 49 Ca -0.01 -1.90 0.08 0.00 -0.03 0.00 0.00 56.01 54.15 2qlc n LEU 49 Cb 0.26 -0.35 0.33 0.00 -2.33 0.00 0.00 43.42 41.32 2qlc n LEU 49 CO 0.27 0.85 0.79 0.35 -1.33 0.00 0.00 177.39 178.31 2qlc n THR 50 N 1.21 2.31 -0.21 -5.08 -2.24 -1.11 -4.70 114.28 104.45 2qlc n THR 50 Ca 0.19 -1.52 0.04 0.00 -2.27 0.00 0.00 64.05 60.49 2qlc n THR 50 Cb 0.54 -0.15 0.31 0.00 -2.10 0.00 0.00 70.33 68.93 2qlc n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qlc h ALA 51 N 3.06 1.60 0.00 6.98 0.00 -1.81 -0.50 119.26 128.60 2qlc h ALA 51 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qlc h ALA 51 Cb 1.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2qlc h ALA 51 CO 0.31 0.30 -0.17 0.66 0.00 0.00 0.00 179.25 180.35 2qlc h SER 52 N 0.87 0.00 0.78 0.00 4.64 -1.98 -2.82 113.55 115.04 2qlc h SER 52 Ca 0.31 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.50 2qlc h SER 52 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2qlc h SER 52 CO -0.10 0.17 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.36 2qlc h LEU 53 N 0.00 0.00 -3.07 5.97 4.07 -1.44 -3.27 115.31 117.57 2qlc h LEU 53 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qlc h LEU 53 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2qlc h LEU 53 CO 0.02 0.61 0.00 2.30 -1.08 0.00 0.00 178.44 180.29 2qlc n ILE 54 N -3.64 1.70 -2.02 1.22 -5.35 -1.19 -4.67 119.36 105.43 2qlc n ILE 54 Ca -0.01 -1.67 -0.41 0.00 -0.27 0.00 0.00 62.75 60.40 2qlc n ILE 54 Cb 0.65 0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.56 2qlc n ILE 54 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2qlc s HIS 55 N -2.17 2.96 0.35 4.28 2.46 -1.07 -4.80 115.29 117.30 2qlc s HIS 55 Ca 0.28 1.19 0.14 0.00 0.47 0.00 0.00 55.06 57.14 2qlc s HIS 55 Cb 0.22 -3.80 1.12 0.00 -0.13 0.00 0.00 32.58 29.99 2qlc s HIS 55 CO 0.07 -2.42 1.57 -2.30 -2.47 0.00 0.00 174.74 169.19 2qlc n PRO 56 N 1.44 -0.07 -0.23 2.88 -0.02 -1.26 -0.24 135.00 137.51 2qlc n PRO 56 Ca 0.03 1.42 0.03 0.00 -2.02 0.00 0.00 63.50 62.96 2qlc n PRO 56 Cb 0.41 -2.43 0.27 0.00 -0.02 0.00 0.00 33.50 31.73 2qlc n PRO 56 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qlc h ARG 57 N 0.00 0.93 -0.03 -0.52 2.43 -1.96 0.10 114.38 115.33 2qlc h ARG 57 Ca 0.75 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.72 2qlc h ARG 57 Cb 1.86 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2qlc h ARG 57 CO -0.83 0.62 -0.57 0.93 -1.51 0.00 0.00 179.97 178.61 2qlc h GLU 58 N 0.96 0.45 -0.26 0.20 4.39 -0.93 -1.05 114.58 118.34 2qlc h GLU 58 Ca 0.31 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2qlc h GLU 58 Cb 0.03 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2qlc h GLU 58 CO -0.09 1.08 0.17 0.82 -1.16 0.00 0.00 179.01 179.84 2qlc h ILE 59 N -0.03 1.07 0.00 3.13 2.04 -1.22 -1.83 117.51 120.66 2qlc h ILE 59 Ca -0.06 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.52 2qlc h ILE 59 Cb 1.26 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2qlc h ILE 59 CO 0.11 0.06 -0.74 -0.26 0.00 0.00 0.00 178.15 177.33 2qlc h PHE 60 N 0.35 0.00 -0.63 1.37 0.04 -0.86 -2.31 116.94 114.89 2qlc h PHE 60 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2qlc h PHE 60 Cb -0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 2qlc h PHE 60 CO -0.06 0.74 0.37 0.87 -0.60 0.00 0.00 178.31 179.63 2qlc h LYS 61 N 0.00 0.87 -0.83 1.51 1.57 -1.07 0.32 116.57 118.94 2qlc h LYS 61 Ca -0.01 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2qlc h LYS 61 Cb 1.39 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 2qlc h LYS 61 CO 0.10 0.63 0.46 0.00 -0.57 0.00 0.00 179.45 180.07 2qlc h ALA 62 N 1.19 1.21 -0.49 3.86 0.00 -1.18 0.56 119.26 124.41 2qlc h ALA 62 Ca 0.23 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2qlc h ALA 62 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qlc h ALA 62 CO -0.04 0.04 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 2qlc h ALA 63 N 1.49 0.75 -0.37 0.00 0.00 -0.80 -1.26 119.26 119.06 2qlc h ALA 63 Ca 0.42 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qlc h ALA 63 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2qlc h ALA 63 CO -0.28 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.43 2qlc h ILE 64 N 0.85 1.26 -0.72 0.00 2.04 -0.63 -0.01 117.51 120.31 2qlc h ILE 64 Ca 0.12 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2qlc h ILE 64 Cb 0.74 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 2qlc h ILE 64 CO 0.06 0.35 0.47 0.03 0.00 0.00 0.00 178.15 179.06 2qlc h ARG 65 N 0.48 0.89 -0.00 2.37 3.08 -0.71 -2.16 114.38 118.34 2qlc h ARG 65 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qlc h ARG 65 Cb 0.50 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2qlc h ARG 65 CO 0.02 0.59 -0.00 0.39 -1.07 0.00 0.00 179.97 179.90 2qlc n GLU 66 N -4.44 0.69 -3.70 0.04 -0.58 -0.49 -4.90 120.64 107.25 2qlc n GLU 66 Ca 0.08 -0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.54 2qlc n GLU 66 Cb 0.08 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.50 2qlc n GLU 66 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qlc n SER 67 N -1.14 -5.52 -4.75 1.62 7.64 -0.81 -4.95 113.62 105.70 2qlc n SER 67 Ca 0.18 -0.63 -0.41 0.00 1.01 0.00 0.00 58.87 59.03 2qlc n SER 67 Cb 0.19 -4.38 -0.03 0.00 -1.01 0.00 0.00 64.21 58.97 2qlc n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qlc s ALA 68 N -3.28 3.47 -0.01 -0.43 0.00 -0.08 -4.92 121.76 116.50 2qlc s ALA 68 Ca 0.60 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 2qlc s ALA 68 Cb -0.29 -3.42 -0.33 0.00 0.00 0.00 0.00 23.12 19.08 2qlc s ALA 68 CO 0.74 -0.43 0.85 1.25 0.00 0.00 0.00 175.76 178.17 2qlc h HIS 69 N 4.27 0.81 -4.10 0.00 -0.00 -1.28 -3.46 115.15 111.40 2qlc h HIS 69 Ca -0.47 -0.59 -0.15 0.00 -0.00 0.00 0.00 60.37 59.16 2qlc h HIS 69 Cb 1.22 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 28.48 2qlc h HIS 69 CO 0.59 1.57 -0.35 -1.54 -0.00 0.00 0.00 177.93 178.21 2qlc s SER 70 N -7.39 0.07 0.08 3.26 1.04 -1.15 -3.75 113.70 105.86 2qlc s SER 70 Ca -0.13 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 55.20 2qlc s SER 70 Cb 0.04 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2qlc s SER 70 CO 0.89 -1.01 -0.15 0.27 0.98 0.00 0.00 173.24 174.22 2qlc s ILE 71 N -4.04 1.22 -0.14 -1.02 -4.36 0.13 -0.70 121.20 112.30 2qlc s ILE 71 Ca 0.30 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.33 2qlc s ILE 71 Cb 0.03 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.55 2qlc s ILE 71 CO 0.11 -0.21 -0.15 -0.63 0.24 0.00 0.00 174.94 174.30 2qlc s ILE 72 N -1.31 2.76 0.07 8.37 1.01 -0.32 -0.87 121.20 130.91 2qlc s ILE 72 Ca -0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 2qlc s ILE 72 Cb -0.10 -2.15 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 2qlc s ILE 72 CO 0.03 0.52 0.75 -0.22 0.00 0.00 0.00 174.94 176.02 2qlc s LEU 73 N 0.55 4.48 -0.03 2.97 2.96 -0.66 -0.63 118.68 128.33 2qlc s LEU 73 Ca -0.10 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 2qlc s LEU 73 Cb -0.16 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.33 2qlc s LEU 73 CO 0.04 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.36 2qlc s VAL 74 N -0.37 0.87 -0.10 1.68 1.01 -0.29 -0.13 120.40 123.08 2qlc s VAL 74 Ca 0.37 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2qlc s VAL 74 Cb -0.21 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2qlc s VAL 74 CO 0.23 0.27 -0.23 -1.00 0.00 0.00 0.00 175.10 174.37 2qlc s HIS 75 N 0.16 2.56 0.06 5.22 3.76 -0.92 -0.29 115.29 125.84 2qlc s HIS 75 Ca -0.03 -0.96 -0.20 0.00 -0.15 0.00 0.00 55.06 53.73 2qlc s HIS 75 Cb -0.09 -1.70 -0.06 0.00 1.11 0.00 0.00 32.58 31.84 2qlc s HIS 75 CO 0.01 -0.36 0.58 0.54 -0.85 0.00 0.00 174.74 174.65 2qlc s ASN 76 N 0.25 7.05 -0.38 1.40 4.22 -1.20 -1.27 114.94 125.02 2qlc s ASN 76 Ca -0.16 1.25 -0.07 0.00 -2.14 0.00 0.00 52.86 51.75 2qlc s ASN 76 Cb -0.17 -2.36 0.07 0.00 1.28 0.00 0.00 41.25 40.06 2qlc s ASN 76 CO 0.08 0.24 0.18 -1.00 -2.04 0.00 0.00 177.10 174.55 2qlc s HIS 77 N -0.91 3.34 0.67 1.54 3.76 -1.05 -4.38 115.29 118.26 2qlc s HIS 77 Ca 0.30 -1.66 0.34 0.00 -0.15 0.00 0.00 55.06 53.89 2qlc s HIS 77 Cb -0.19 -2.70 1.88 0.00 1.11 0.00 0.00 32.58 32.68 2qlc s HIS 77 CO 0.19 -0.82 2.06 -1.35 -0.85 0.00 0.00 174.74 173.96 2qlc h PRO 78 N 8.25 0.00 0.00 8.40 0.11 -1.86 -2.13 132.00 144.78 2qlc h PRO 78 Ca -0.21 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 2qlc h PRO 78 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qlc h PRO 78 CO 0.68 0.00 -0.24 0.66 -0.21 0.00 0.00 178.00 178.89 2qlc h SER 79 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.47 113.55 110.73 2qlc h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qlc h SER 79 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2qlc h SER 79 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2qlc n GLY 80 N -0.59 2.72 3.76 -0.77 0.00 -0.80 -5.00 105.19 104.52 2qlc n GLY 80 Ca -0.02 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2qlc n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qlc s ASP 81 N 0.38 7.11 0.00 1.61 2.15 -1.26 -2.65 116.67 124.01 2qlc s ASP 81 Ca 0.00 2.28 0.14 0.00 0.43 0.00 0.00 52.55 55.39 2qlc s ASP 81 Cb 0.00 -2.62 0.20 0.00 -0.30 0.00 0.00 42.92 40.20 2qlc s ASP 81 CO 0.00 -0.25 1.07 1.33 -0.17 0.00 0.00 175.17 177.15 2qlc n VAL 82 N 0.92 0.35 -2.31 1.11 0.24 -1.26 -4.69 118.33 112.69 2qlc n VAL 82 Ca 0.00 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 2qlc n VAL 82 Cb 0.45 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 2qlc n VAL 82 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2qlc s GLN 83 N -1.11 4.49 0.05 7.34 -1.52 -1.26 -4.44 119.66 123.21 2qlc s GLN 83 Ca 0.21 1.98 -0.30 0.00 -1.95 0.00 0.00 55.36 55.29 2qlc s GLN 83 Cb 0.13 -3.17 -0.05 0.00 -0.22 0.00 0.00 33.01 29.70 2qlc s GLN 83 CO 0.18 -0.04 1.05 -1.25 -0.25 0.00 0.00 175.29 174.98 2qlc s PRO 84 N -1.05 4.55 0.68 2.91 0.04 -1.26 -5.06 135.00 135.81 2qlc s PRO 84 Ca 0.50 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 2qlc s PRO 84 Cb -0.35 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 30.81 2qlc s PRO 84 CO 0.43 -0.06 1.15 -1.54 0.04 0.00 0.00 177.00 177.02 2qlc s SER 85 N 0.75 4.78 0.61 6.66 1.04 -1.26 -4.88 113.70 121.39 2qlc s SER 85 Ca 0.53 2.16 0.33 0.00 0.48 0.00 0.00 55.95 59.45 2qlc s SER 85 Cb -0.25 -2.57 1.96 0.00 0.10 0.00 0.00 66.02 65.26 2qlc s SER 85 CO 0.29 -1.86 2.28 0.78 0.98 0.00 0.00 173.24 175.71 2qlc h ASN 86 N -0.02 0.00 0.52 7.02 2.35 -1.99 0.61 115.58 124.06 2qlc h ASN 86 Ca -0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 2qlc h ASN 86 Cb 1.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 2qlc h ASN 86 CO 0.52 0.00 -0.29 0.00 -1.65 0.00 0.00 177.43 176.02 2qlc h ALA 87 N 2.00 -0.76 -0.84 -0.83 0.00 -1.99 -1.08 119.26 115.76 2qlc h ALA 87 Ca -0.00 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2qlc h ALA 87 Cb 0.01 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 2qlc h ALA 87 CO 0.00 -0.94 0.35 -0.44 0.00 0.00 0.00 179.25 178.22 2qlc h ASP 88 N -0.76 0.30 -0.25 0.00 3.32 -1.25 -1.39 116.42 116.39 2qlc h ASP 88 Ca -0.06 0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 2qlc h ASP 88 Cb 0.60 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2qlc h ASP 88 CO 0.09 0.05 -0.40 0.11 -1.72 0.00 0.00 179.24 177.37 2qlc h LYS 89 N 0.43 0.80 -0.01 3.56 1.57 -1.27 -2.67 116.57 118.98 2qlc h LYS 89 Ca 0.49 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2qlc h LYS 89 Cb 0.85 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 2qlc h LYS 89 CO -0.47 1.05 -0.30 1.96 -0.57 0.00 0.00 179.45 181.12 2qlc h GLN 90 N 0.65 -0.42 -0.18 3.15 4.20 -0.18 -2.72 115.11 119.62 2qlc h GLN 90 Ca 0.05 0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2qlc h GLN 90 Cb 0.96 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2qlc h GLN 90 CO 0.09 -0.28 -0.29 -0.39 -0.67 0.00 0.00 178.83 177.29 2qlc h VAL 91 N -0.44 1.27 0.10 -0.54 -1.51 -1.26 -2.78 116.25 111.10 2qlc h VAL 91 Ca 0.07 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 2qlc h VAL 91 Cb 0.53 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2qlc h VAL 91 CO -0.26 0.39 -0.05 0.74 -1.23 0.00 0.00 177.57 177.16 2qlc h THR 92 N 0.30 0.91 -0.47 7.19 2.02 -1.36 -0.94 112.91 120.56 2qlc h THR 92 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2qlc h THR 92 Cb 0.67 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2qlc h THR 92 CO 0.05 0.01 0.31 0.77 0.37 0.00 0.00 175.52 177.03 2qlc h SER 93 N -0.16 0.54 -0.32 4.18 4.64 -1.23 0.13 113.55 121.33 2qlc h SER 93 Ca -0.01 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2qlc h SER 93 Cb 0.12 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2qlc h SER 93 CO 0.02 0.39 0.17 0.40 -0.87 0.00 0.00 176.83 176.94 2qlc h ILE 94 N 0.63 1.00 -0.47 0.95 1.08 -1.45 -2.12 117.51 117.13 2qlc h ILE 94 Ca 0.17 -0.12 -0.13 0.00 -0.39 0.00 0.00 64.86 64.39 2qlc h ILE 94 Cb -0.07 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 2qlc h ILE 94 CO -0.04 0.06 -0.22 0.25 -0.69 0.00 0.00 178.15 177.52 2qlc h LEU 95 N 0.35 1.00 -0.80 1.44 5.85 -0.85 -2.59 115.31 119.72 2qlc h LEU 95 Ca 0.13 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2qlc h LEU 95 Cb 0.03 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2qlc h LEU 95 CO -0.08 1.17 0.52 0.50 -0.34 0.00 0.00 178.44 180.21 2qlc h LYS 96 N 0.84 1.03 0.14 1.25 3.64 -0.54 -1.59 116.57 121.33 2qlc h LYS 96 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2qlc h LYS 96 Cb 0.79 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2qlc h LYS 96 CO 0.07 0.68 -0.07 0.87 -2.27 0.00 0.00 179.45 178.73 2qlc h LYS 97 N 1.06 -0.18 -0.75 1.90 1.57 -1.31 -1.66 116.57 117.20 2qlc h LYS 97 Ca 0.30 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.26 2qlc h LYS 97 Cb -0.09 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.15 2qlc h LYS 97 CO -0.08 0.03 0.17 0.00 -0.57 0.00 0.00 179.45 179.00 2qlc h ALA 98 N 0.46 0.96 -0.78 3.86 0.00 -1.43 -0.73 119.26 121.60 2qlc h ALA 98 Ca -0.02 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qlc h ALA 98 Cb 0.29 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2qlc h ALA 98 CO 0.03 -0.35 0.50 0.78 0.00 0.00 0.00 179.25 180.21 2qlc h GLY 99 N 0.26 1.12 0.90 0.00 0.00 -1.01 -2.01 103.07 102.33 2qlc h GLY 99 Ca 0.42 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 2qlc h GLY 99 CO -0.53 0.33 0.04 -0.55 0.00 0.00 0.00 176.54 175.83 2qlc h ASP 100 N 0.98 0.53 -0.89 0.19 3.32 -0.65 0.22 116.42 120.12 2qlc h ASP 100 Ca 0.31 -0.27 0.24 0.00 0.02 0.00 0.00 57.03 57.33 2qlc h ASP 100 Cb -0.00 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 39.26 2qlc h ASP 100 CO -0.11 0.67 0.18 -0.07 -1.72 0.00 0.00 179.24 178.20 2qlc h LEU 101 N 0.37 -0.11 -0.64 1.55 4.07 -0.82 -2.00 115.31 117.72 2qlc h LEU 101 Ca 0.10 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.27 2qlc h LEU 101 Cb 0.38 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2qlc h LEU 101 CO 0.01 -0.21 -0.41 0.18 -1.08 0.00 0.00 178.44 176.93 2qlc n LEU 102 N -5.29 1.41 -3.55 1.67 4.77 -0.79 -4.94 117.00 110.28 2qlc n LEU 102 Ca 0.21 -0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 55.46 2qlc n LEU 102 Cb 0.70 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2qlc n LEU 102 CO 0.03 0.27 0.07 0.00 -1.33 0.00 0.00 177.39 176.43 2qlc n GLN 103 N -0.49 -5.17 -4.02 3.23 6.02 0.61 -4.98 117.38 112.58 2qlc n GLN 103 Ca 0.10 0.66 -0.32 0.00 -0.01 0.00 0.00 57.00 57.43 2qlc n GLN 103 Cb 0.40 -5.53 -0.15 0.00 1.02 0.00 0.00 30.24 25.98 2qlc n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qlc s ILE 104 N -3.19 2.35 0.21 5.09 1.01 -0.20 -4.98 121.20 121.49 2qlc s ILE 104 Ca 0.52 -1.92 -0.30 0.00 0.00 0.00 0.00 60.65 58.95 2qlc s ILE 104 Cb -0.25 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 2qlc s ILE 104 CO 0.64 -0.29 1.12 -0.70 0.00 0.00 0.00 174.94 175.70 2qlc s GLU 105 N 1.04 4.59 -0.66 2.79 2.12 -1.25 -4.39 118.70 122.94 2qlc s GLU 105 Ca 0.00 1.78 -0.28 0.00 0.36 0.00 0.00 54.97 56.83 2qlc s GLU 105 Cb -0.20 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 30.98 2qlc s GLU 105 CO -0.06 0.08 1.23 -1.17 -0.54 0.00 0.00 175.26 174.80 2qlc s LEU 106 N -0.66 3.32 0.33 2.70 2.96 -1.26 -0.69 118.68 125.38 2qlc s LEU 106 Ca 0.49 -0.18 0.15 0.00 -0.22 0.00 0.00 54.13 54.36 2qlc s LEU 106 Cb -0.31 -2.86 0.52 0.00 0.50 0.00 0.00 46.19 44.05 2qlc s LEU 106 CO 0.37 -1.66 1.67 -0.07 -1.32 0.00 0.00 176.35 175.35 2qlc h LEU 107 N 12.46 0.00 -7.00 -0.68 3.38 -1.38 -3.47 115.31 118.61 2qlc h LEU 107 Ca -0.26 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.88 2qlc h LEU 107 Cb 1.05 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.56 2qlc h LEU 107 CO 1.23 0.49 0.77 -0.62 0.09 0.00 0.00 178.44 180.40 2qlc s ASP 108 N -6.63 -0.19 -0.23 -0.43 -1.08 -1.26 -4.88 116.67 101.98 2qlc s ASP 108 Ca -0.01 0.19 -0.04 0.00 -0.52 0.00 0.00 52.55 52.18 2qlc s ASP 108 Cb 0.12 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 2qlc s ASP 108 CO 0.72 -0.18 -0.04 -2.28 0.52 0.00 0.00 175.17 173.91 2qlc s HIS 109 N -1.18 2.99 -0.20 -5.34 5.65 -1.26 -1.65 115.29 114.30 2qlc s HIS 109 Ca 0.04 -1.08 -0.02 0.00 0.25 0.00 0.00 55.06 54.25 2qlc s HIS 109 Cb -0.01 -2.11 0.00 0.00 -1.18 0.00 0.00 32.58 29.29 2qlc s HIS 109 CO -0.04 -0.60 -0.11 0.08 -0.65 0.00 0.00 174.74 173.43 2qlc s VAL 110 N 1.45 2.86 -0.20 0.89 1.01 0.82 -1.72 120.40 125.50 2qlc s VAL 110 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2qlc s VAL 110 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2qlc s VAL 110 CO -0.03 0.47 0.36 -0.63 0.00 0.00 0.00 175.10 175.27 2qlc s ILE 111 N 1.32 5.23 -0.03 2.22 1.01 0.03 -2.16 121.20 128.82 2qlc s ILE 111 Ca 0.04 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.36 2qlc s ILE 111 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2qlc s ILE 111 CO -0.06 0.29 -0.11 0.68 0.00 0.00 0.00 174.94 175.73 2qlc s VAL 112 N 1.13 3.30 0.00 2.92 -7.23 -0.39 -0.19 120.40 119.94 2qlc s VAL 112 Ca 0.18 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2qlc s VAL 112 Cb -0.14 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2qlc s VAL 112 CO 0.07 0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2qlc n GLY 113 N 2.01 3.50 3.55 2.32 0.00 -0.21 -2.53 105.19 113.84 2qlc n GLY 113 Ca -0.17 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 2qlc n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qlc n ASN 114 N 0.00 1.68 -3.89 1.61 4.13 -1.09 -2.85 115.26 114.86 2qlc n ASN 114 Ca 0.00 -1.28 -0.31 0.00 1.68 0.00 0.00 54.58 54.67 2qlc n ASN 114 Cb 0.00 -1.58 -0.01 0.00 -1.54 0.00 0.00 39.78 36.65 2qlc n ASN 114 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qlc n ASN 115 N 17.52 -3.87 -3.58 6.41 3.02 -1.26 -4.90 115.26 128.61 2qlc n ASN 115 Ca 0.47 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 54.16 2qlc n ASN 115 Cb 0.43 -3.15 -0.02 0.00 -0.61 0.00 0.00 39.78 36.43 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qlc s ASP 116 N -3.12 -0.41 0.09 6.41 2.15 -1.13 -5.17 116.67 115.49 2qlc s ASP 116 Ca 0.63 -0.19 -0.12 0.00 0.43 0.00 0.00 52.55 53.30 2qlc s ASP 116 Cb -0.33 0.57 0.02 0.00 -0.30 0.00 0.00 42.92 42.87 2qlc s ASP 116 CO 0.77 -0.97 0.29 -1.66 -0.17 0.00 0.00 175.17 173.43 2qlc s TRP 117 N -3.60 -0.04 -0.10 -5.34 -2.14 -1.26 -1.04 118.94 105.43 2qlc s TRP 117 Ca 0.05 -0.27 0.02 0.00 2.66 0.00 0.00 56.10 58.56 2qlc s TRP 117 Cb -0.02 0.09 0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2qlc s TRP 117 CO -0.06 -0.58 -0.15 0.12 -2.66 0.00 0.00 176.95 173.62 2qlc s PHE 118 N -3.46 1.89 -0.29 1.66 5.36 0.74 -4.96 117.98 118.91 2qlc s PHE 118 Ca 0.01 -0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 55.03 2qlc s PHE 118 Cb 0.02 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.32 2qlc s PHE 118 CO -0.09 -0.45 0.13 0.45 -1.46 0.00 0.00 175.22 173.80 2qlc s SER 119 N 0.95 5.43 0.37 6.13 0.15 -1.26 -0.79 113.70 124.68 2qlc s SER 119 Ca -0.08 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.24 2qlc s SER 119 Cb -0.15 -1.98 0.85 0.00 -1.71 0.00 0.00 66.02 63.03 2qlc s SER 119 CO -0.01 -0.14 1.90 -0.26 1.20 0.00 0.00 173.24 175.93 2qlc h PHE 120 N 8.31 0.73 -0.07 3.44 -1.00 -1.73 -2.70 116.94 123.92 2qlc h PHE 120 Ca -0.34 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.46 2qlc h PHE 120 Cb 1.15 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 2qlc h PHE 120 CO 0.65 0.30 0.02 -0.09 -1.61 0.00 0.00 178.31 177.59 2qlc h ARG 121 N 0.65 0.11 -0.65 1.51 2.43 -1.90 0.30 114.38 116.84 2qlc h ARG 121 Ca 0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2qlc h ARG 121 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2qlc h ARG 121 CO -0.16 0.30 0.00 -0.40 -1.51 0.00 0.00 179.97 178.20 2qlc n ASP 122 N -4.91 4.42 -0.77 -3.80 5.68 -1.19 -1.49 116.55 114.49 2qlc n ASP 122 Ca -0.06 -2.58 0.07 0.00 -0.50 0.00 0.00 54.79 51.72 2qlc n ASP 122 Cb 0.14 -0.59 0.17 0.00 -1.14 0.00 0.00 41.12 39.71 2qlc n ASP 122 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2qlc n HIS 123 N 0.66 0.50 -2.16 2.11 8.25 -1.02 -4.99 115.22 118.57 2qlc n HIS 123 Ca 0.22 -0.43 -0.17 0.00 -0.26 0.00 0.00 57.72 57.08 2qlc n HIS 123 Cb 0.89 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 2qlc n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qlc n ALA 124 N 0.78 -0.57 1.26 -1.41 0.00 -0.55 -4.84 120.51 115.18 2qlc n ALA 124 Ca 0.14 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.89 2qlc n ALA 124 Cb 0.46 -1.84 0.52 0.00 0.00 0.00 0.00 19.45 18.58 2qlc n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qlc n LEU 125 N -2.70 0.48 -0.38 0.00 4.77 0.10 -5.02 117.00 114.26 2qlc n LEU 125 Ca -0.19 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2qlc n LEU 125 Cb 0.63 -0.23 0.62 0.00 -2.33 0.00 0.00 43.42 42.10 2qlc n LEU 125 CO 0.24 0.10 0.92 -0.11 -1.33 0.00 0.00 177.39 177.21