#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 2.69 -0.46 3.17 4.13 -1.26 -4.26 115.26 119.27 2qlc n ASN 2 Ca 0.00 -1.73 0.14 0.00 1.68 0.00 0.00 54.58 54.67 2qlc n ASN 2 Cb 0.00 -0.46 0.49 0.00 -1.54 0.00 0.00 39.78 38.26 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 0.66 1.48 -4.63 3.41 7.99 -1.26 -4.76 117.00 119.88 2qlc n LEU 3 Ca 0.00 -0.48 -0.40 0.00 -0.01 0.00 0.00 56.01 55.12 2qlc n LEU 3 Cb 0.42 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.64 2qlc n LEU 3 CO 0.00 0.25 0.22 -0.75 -1.51 0.00 0.00 177.39 175.60 2qlc s LYS 4 N -2.08 4.10 -0.47 3.23 2.20 -1.26 -0.16 119.74 125.30 2qlc s LYS 4 Ca 0.36 0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 56.04 2qlc s LYS 4 Cb 0.21 -3.62 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 2qlc s LYS 4 CO 0.36 -0.27 0.84 0.08 -0.36 0.00 0.00 175.35 176.00 2qlc s VAL 5 N 2.06 4.56 -0.18 4.02 1.01 0.35 -4.86 120.40 127.37 2qlc s VAL 5 Ca 0.21 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2qlc s VAL 5 Cb -0.16 -4.39 -0.22 0.00 0.00 0.00 0.00 36.38 31.61 2qlc s VAL 5 CO 0.09 -0.83 0.14 0.29 0.00 0.00 0.00 175.10 174.79 2qlc n LYS 6 N 6.95 0.69 -3.75 2.72 5.02 -1.26 -4.84 118.16 123.69 2qlc n LYS 6 Ca 0.03 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 2qlc n LYS 6 Cb 0.48 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.97 2.14 0.26 0.72 0.00 -1.26 -5.04 105.19 103.97 2qlc n GLY 7 Ca -0.35 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 1.98 1.80 -0.47 4.61 0.00 -2.01 -2.67 119.26 122.50 2qlc h ALA 8 Ca -0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2qlc h ALA 8 Cb 1.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2qlc h ALA 8 CO 0.34 0.07 0.26 -0.09 0.00 0.00 0.00 179.25 179.83 2qlc h ARG 9 N 0.00 0.64 -0.30 0.00 2.43 -2.00 -1.76 114.38 113.39 2qlc h ARG 9 Ca -0.00 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2qlc h ARG 9 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2qlc h ARG 9 CO 0.01 0.46 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.24 2qlc h ASP 10 N 0.65 0.59 -0.22 -3.80 3.32 -1.85 -2.23 116.42 112.87 2qlc h ASP 10 Ca 0.17 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2qlc h ASP 10 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2qlc h ASP 10 CO -0.03 0.83 0.09 0.58 -1.72 0.00 0.00 179.24 179.00 2qlc h VAL 11 N 0.51 1.16 -0.64 -1.35 2.07 -1.43 -1.42 116.25 115.15 2qlc h VAL 11 Ca 0.07 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2qlc h VAL 11 Cb 0.71 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2qlc h VAL 11 CO 0.05 0.15 0.27 0.15 0.02 0.00 0.00 177.57 178.22 2qlc h PHE 12 N 0.21 0.47 -0.11 1.57 3.57 -1.16 -1.20 116.94 120.29 2qlc h PHE 12 Ca 0.07 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 2qlc h PHE 12 Cb 0.16 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.79 2qlc h PHE 12 CO -0.01 0.14 -0.61 0.93 -2.23 0.00 0.00 178.31 176.52 2qlc h GLU 13 N 0.47 0.62 -0.79 1.11 4.39 -1.31 -2.97 114.58 116.10 2qlc h GLU 13 Ca 0.32 -0.51 0.08 0.00 0.34 0.00 0.00 59.36 59.58 2qlc h GLU 13 Cb 0.37 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 2qlc h GLU 13 CO -0.29 1.13 0.46 -0.92 -1.16 0.00 0.00 179.01 178.23 2qlc h TYR 14 N 0.26 0.83 0.00 4.33 3.20 -0.97 -2.67 116.97 121.96 2qlc h TYR 14 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2qlc h TYR 14 Cb 1.26 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.27 2qlc h TYR 14 CO 0.11 0.38 0.00 -1.33 -1.64 0.00 0.00 178.16 175.67 2qlc n MET 15 N -4.73 0.10 -1.72 1.82 2.81 -0.48 -4.71 117.12 110.22 2qlc n MET 15 Ca 0.12 0.22 -0.42 0.00 -1.81 0.00 0.00 57.70 55.81 2qlc n MET 15 Cb 0.22 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 2qlc n MET 15 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2qlc s LYS 16 N -3.10 4.12 0.00 0.03 1.02 -1.01 -0.58 119.74 120.23 2qlc s LYS 16 Ca 0.09 2.61 0.00 0.00 0.02 0.00 0.00 55.97 58.69 2qlc s LYS 16 Cb 0.12 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2qlc s LYS 16 CO 0.43 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 2qlc n GLY 17 N 4.05 0.73 0.64 -3.33 0.00 -1.26 -4.88 105.19 101.14 2qlc n GLY 17 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.01 1.67 -2.76 1.61 1.74 0.25 -4.86 116.66 112.30 2qlc n ARG 18 Ca 0.00 -1.34 -0.43 0.00 -0.77 0.00 0.00 57.85 55.31 2qlc n ARG 18 Cb 0.01 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.01 4.65 0.22 0.55 -1.09 -1.24 -4.95 121.20 117.34 2qlc s ILE 19 Ca 0.21 1.59 -0.08 0.00 -2.23 0.00 0.00 60.65 60.13 2qlc s ILE 19 Cb 0.17 -4.29 0.17 0.00 -1.58 0.00 0.00 42.46 36.93 2qlc s ILE 19 CO 0.39 -0.33 1.83 -0.65 -1.23 0.00 0.00 174.94 174.95 2qlc h PRO 20 N 7.97 0.81 -2.60 2.79 0.11 -1.97 -3.40 132.00 135.71 2qlc h PRO 20 Ca -0.22 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.54 2qlc h PRO 20 Cb 1.07 -0.18 -0.35 0.00 0.11 0.00 0.00 31.00 31.65 2qlc h PRO 20 CO 0.96 0.54 -0.62 0.34 -0.21 0.00 0.00 178.00 179.02 2qlc s ASP 21 N -5.70 1.21 0.13 -2.05 -1.08 -1.26 -5.04 116.67 102.88 2qlc s ASP 21 Ca -0.13 -0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 2qlc s ASP 21 Cb 0.17 0.41 0.89 0.00 -1.46 0.00 0.00 42.92 42.93 2qlc s ASP 21 CO 0.77 -0.31 1.69 -0.62 0.52 0.00 0.00 175.17 177.23 2qlc n GLU 22 N 5.32 0.12 0.23 4.34 1.02 -1.26 -1.59 120.64 128.82 2qlc n GLU 22 Ca -0.05 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 2qlc n GLU 22 Cb 0.50 -1.68 0.30 0.00 -0.02 0.00 0.00 31.44 30.53 2qlc n GLU 22 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2qlc h THR 23 N 0.00 0.00 -3.10 2.62 1.35 -1.96 -3.37 112.91 108.46 2qlc h THR 23 Ca 0.00 -0.87 -0.59 0.00 -0.55 0.00 0.00 66.41 64.40 2qlc h THR 23 Cb 0.43 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 2qlc h THR 23 CO 0.00 0.00 -0.29 -0.54 -0.25 0.00 0.00 175.52 174.44 2qlc s LYS 24 N -3.32 3.67 0.16 4.72 -0.14 -0.62 -4.73 119.74 119.49 2qlc s LYS 24 Ca 0.06 0.03 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 2qlc s LYS 24 Cb 0.06 -2.95 -0.07 0.00 -1.68 0.00 0.00 37.83 33.19 2qlc s LYS 24 CO 0.64 0.54 0.96 -1.21 -0.76 0.00 0.00 175.35 175.51 2qlc s GLU 25 N -2.18 4.75 0.01 1.68 2.02 -1.25 -4.64 118.70 119.09 2qlc s GLU 25 Ca 0.35 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.82 2qlc s GLU 25 Cb -0.13 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 2qlc s GLU 25 CO 0.20 0.31 -0.01 -1.01 0.02 0.00 0.00 175.26 174.77 2qlc s HIS 26 N -0.40 0.11 -0.09 1.61 3.76 -1.26 -1.82 115.29 117.20 2qlc s HIS 26 Ca 0.45 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 2qlc s HIS 26 Cb -0.24 -0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 2qlc s HIS 26 CO 0.31 -0.05 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.83 2qlc s LEU 27 N -0.44 2.67 0.09 0.89 2.96 -0.48 -2.21 118.68 122.15 2qlc s LEU 27 Ca -0.05 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2qlc s LEU 27 Cb -0.03 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2qlc s LEU 27 CO -0.00 0.25 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.76 2qlc s PHE 28 N -0.15 1.37 -0.11 5.38 0.08 0.89 -0.02 117.98 125.42 2qlc s PHE 28 Ca -0.01 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2qlc s PHE 28 Cb -0.14 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 2qlc s PHE 28 CO 0.03 0.11 -0.13 0.54 -0.10 0.00 0.00 175.22 175.67 2qlc s VAL 29 N -1.50 1.33 -0.00 -0.44 0.11 -0.50 -0.78 120.40 118.63 2qlc s VAL 29 Ca 0.03 -0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 2qlc s VAL 29 Cb -0.09 -1.25 -0.06 0.00 -1.53 0.00 0.00 36.38 33.46 2qlc s VAL 29 CO 0.03 0.41 0.39 -0.76 -3.33 0.00 0.00 175.10 171.84 2qlc s LEU 30 N 1.19 4.47 -0.23 2.54 1.43 0.47 -0.71 118.68 127.84 2qlc s LEU 30 Ca -0.03 0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 2qlc s LEU 30 Cb -0.14 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 2qlc s LEU 30 CO -0.04 0.32 0.04 -0.36 0.23 0.00 0.00 176.35 176.55 2qlc s PHE 31 N -1.09 3.08 -0.02 0.29 0.08 0.74 -1.66 117.98 119.40 2qlc s PHE 31 Ca 0.24 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.90 2qlc s PHE 31 Cb -0.16 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2qlc s PHE 31 CO 0.13 -0.27 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.43 2qlc s LEU 32 N 1.28 3.34 0.96 -0.37 1.02 0.26 -0.56 118.68 124.63 2qlc s LEU 32 Ca 0.04 -0.04 -0.16 0.00 0.02 0.00 0.00 54.13 54.00 2qlc s LEU 32 Cb -0.15 -1.86 0.19 0.00 0.02 0.00 0.00 46.19 44.39 2qlc s LEU 32 CO 0.03 0.31 1.27 -0.94 0.02 0.00 0.00 176.35 177.03 2qlc s SER 33 N -1.28 3.09 0.30 2.29 1.04 -0.46 -0.26 113.70 118.42 2qlc s SER 33 Ca 0.17 0.43 0.21 0.00 0.48 0.00 0.00 55.95 57.23 2qlc s SER 33 Cb -0.11 -0.59 1.09 0.00 0.10 0.00 0.00 66.02 66.51 2qlc s SER 33 CO 0.07 -2.76 1.64 0.35 0.98 0.00 0.00 173.24 173.51 2qlc n THR 34 N -3.82 1.05 -0.63 2.02 -2.24 -1.26 -1.16 114.28 108.25 2qlc n THR 34 Ca 0.13 0.66 0.08 0.00 -2.27 0.00 0.00 64.05 62.65 2qlc n THR 34 Cb 0.60 -1.65 0.24 0.00 -2.10 0.00 0.00 70.33 67.42 2qlc n THR 34 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qlc n LYS 35 N -2.22 3.11 -1.69 -0.78 4.76 -1.26 -4.96 118.16 115.12 2qlc n LYS 35 Ca -0.01 -2.57 -0.11 0.00 -2.87 0.00 0.00 58.31 52.75 2qlc n LYS 35 Cb 0.06 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.56 2qlc n LYS 35 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qlc n ASN 36 N 0.19 -4.04 -4.73 4.39 5.03 -0.30 -4.80 115.26 110.99 2qlc n ASN 36 Ca 0.19 0.16 -0.40 0.00 0.87 0.00 0.00 54.58 55.39 2qlc n ASN 36 Cb 0.73 -2.83 -0.04 0.00 -1.02 0.00 0.00 39.78 36.62 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2qlc s GLN 37 N -3.60 4.49 -0.48 3.52 2.00 -1.26 -0.49 119.66 123.83 2qlc s GLN 37 Ca 0.00 1.06 -0.28 0.00 -2.00 0.00 0.00 55.36 54.14 2qlc s GLN 37 Cb 0.00 -3.42 0.01 0.00 0.80 0.00 0.00 33.01 30.40 2qlc s GLN 37 CO 0.00 0.13 1.45 0.42 -0.50 0.00 0.00 175.29 176.79 2qlc s ILE 38 N 0.49 3.81 -0.02 -2.34 1.01 0.78 -1.35 121.20 123.57 2qlc s ILE 38 Ca 0.41 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.60 2qlc s ILE 38 Cb -0.19 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 37.85 2qlc s ILE 38 CO 0.22 -0.93 0.98 -0.07 0.00 0.00 0.00 174.94 175.13 2qlc h LEU 39 N 12.83 -0.32 -7.92 2.97 3.38 -1.17 -3.49 115.31 121.59 2qlc h LEU 39 Ca -0.27 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 57.62 2qlc h LEU 39 Cb 1.10 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2qlc h LEU 39 CO 1.13 0.14 0.53 0.00 0.09 0.00 0.00 178.44 180.33 2qlc s ARG 40 N -3.91 1.44 0.05 1.13 1.70 -1.24 -5.01 118.95 113.11 2qlc s ARG 40 Ca -0.13 -0.91 -0.01 0.00 -0.47 0.00 0.00 55.73 54.22 2qlc s ARG 40 Cb 0.01 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2qlc s ARG 40 CO 0.46 -0.67 -0.03 -3.38 -1.08 0.00 0.00 175.30 170.60 2qlc s HIS 41 N -2.32 0.50 0.05 5.89 -3.43 -1.26 -0.18 115.29 114.53 2qlc s HIS 41 Ca 0.20 -0.95 0.04 0.00 -0.80 0.00 0.00 55.06 53.55 2qlc s HIS 41 Cb -0.03 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.74 2qlc s HIS 41 CO 0.06 -0.32 -0.12 -1.21 -2.00 0.00 0.00 174.74 171.15 2qlc s GLU 42 N -3.40 0.77 -0.34 -0.38 2.02 0.11 -4.96 118.70 112.51 2qlc s GLU 42 Ca 0.03 -0.79 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 2qlc s GLU 42 Cb 0.04 -0.72 0.01 0.00 0.10 0.00 0.00 34.13 33.56 2qlc s GLU 42 CO -0.08 0.17 0.87 0.99 0.02 0.00 0.00 175.26 177.23 2qlc s THR 43 N -1.07 4.67 0.00 3.63 2.01 -1.26 -1.40 115.64 122.21 2qlc s THR 43 Ca -0.02 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.15 2qlc s THR 43 Cb -0.09 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2qlc s THR 43 CO 0.01 -0.43 0.00 -0.38 -0.69 0.00 0.00 174.62 173.14 2qlc n ILE 44 N 5.80 0.00 -2.92 1.82 5.41 0.98 -4.87 119.36 125.58 2qlc n ILE 44 Ca 0.06 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.41 2qlc n ILE 44 Cb 0.48 -0.07 -0.06 0.00 -0.71 0.00 0.00 39.64 39.28 2qlc n ILE 44 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qlc s THR 45 N 0.00 4.45 -0.26 1.39 2.01 -1.23 -4.95 115.64 117.04 2qlc s THR 45 Ca 0.00 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 63.75 2qlc s THR 45 Cb 0.00 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.35 2qlc s THR 45 CO 0.00 0.45 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 2qlc s ILE 46 N -0.70 3.18 -5.00 1.82 1.01 -1.26 -1.39 121.20 118.86 2qlc s ILE 46 Ca 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2qlc s ILE 46 Cb -0.23 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2qlc s ILE 46 CO 0.27 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2qlc n GLY 47 N 4.72 -0.36 3.87 6.18 0.00 -0.76 -5.04 105.19 113.80 2qlc n GLY 47 Ca -0.16 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 2qlc n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qlc s THR 48 N -3.80 5.45 -0.83 2.61 -1.32 -1.26 -3.74 115.64 112.75 2qlc s THR 48 Ca 0.00 0.19 -0.25 0.00 -1.21 0.00 0.00 61.69 60.42 2qlc s THR 48 Cb 0.00 -3.37 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 2qlc s THR 48 CO 0.00 0.62 1.64 -0.22 -2.21 0.00 0.00 174.62 174.45 2qlc s LEU 49 N -1.00 3.28 -0.06 9.08 2.96 -1.26 -4.98 118.68 126.71 2qlc s LEU 49 Ca 0.15 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2qlc s LEU 49 Cb -0.12 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2qlc s LEU 49 CO 0.04 -2.12 0.20 0.42 -1.32 0.00 0.00 176.35 173.57 2qlc s THR 50 N 7.47 5.41 0.57 3.68 -4.23 -1.26 -4.79 115.64 122.50 2qlc s THR 50 Ca 0.55 0.14 0.26 0.00 -1.18 0.00 0.00 61.69 61.46 2qlc s THR 50 Cb -0.06 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.63 2qlc s THR 50 CO 0.05 0.48 2.10 0.00 -0.54 0.00 0.00 174.62 176.72 2qlc h ALA 51 N 4.43 1.94 0.00 3.99 0.00 -1.94 -2.26 119.26 125.43 2qlc h ALA 51 Ca -0.52 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2qlc h ALA 51 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2qlc h ALA 51 CO 0.63 -0.29 -0.19 0.66 0.00 0.00 0.00 179.25 180.06 2qlc h SER 52 N 0.00 0.00 1.28 0.00 4.64 -2.00 -2.69 113.55 114.78 2qlc h SER 52 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2qlc h SER 52 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2qlc h SER 52 CO -0.00 0.19 0.00 -0.07 -0.87 0.00 0.00 176.83 176.08 2qlc h LEU 53 N 0.00 0.00 -9.09 5.97 4.07 -1.80 -3.42 115.31 111.03 2qlc h LEU 53 Ca -0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 2qlc h LEU 53 Cb 0.65 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.32 2qlc h LEU 53 CO 0.02 0.00 0.70 -0.63 -1.08 0.00 0.00 178.44 177.45 2qlc s ILE 54 N -3.28 4.73 -0.39 1.22 1.09 -1.01 -4.89 121.20 118.67 2qlc s ILE 54 Ca 0.06 1.93 0.04 0.00 -1.10 0.00 0.00 60.65 61.58 2qlc s ILE 54 Cb 0.09 -4.27 0.11 0.00 -1.06 0.00 0.00 42.46 37.34 2qlc s ILE 54 CO 0.54 -0.13 0.11 -1.00 -0.10 0.00 0.00 174.94 174.36 2qlc s HIS 55 N 2.96 3.42 0.50 3.97 3.76 -1.26 -4.97 115.29 123.67 2qlc s HIS 55 Ca 0.42 -2.94 0.33 0.00 -0.15 0.00 0.00 55.06 52.72 2qlc s HIS 55 Cb -0.15 -2.78 1.46 0.00 1.11 0.00 0.00 32.58 32.21 2qlc s HIS 55 CO 0.08 -0.89 1.76 -1.35 -0.85 0.00 0.00 174.74 173.49 2qlc h PRO 56 N 7.34 0.09 -0.98 8.40 0.11 -1.97 -0.24 132.00 144.75 2qlc h PRO 56 Ca -0.06 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.11 2qlc h PRO 56 Cb 0.98 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 2qlc h PRO 56 CO 0.56 0.06 0.64 -0.09 -0.21 0.00 0.00 178.00 178.96 2qlc h ARG 57 N 0.10 1.13 0.00 1.05 2.43 -1.98 -2.00 114.38 115.10 2qlc h ARG 57 Ca 0.62 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.73 2qlc h ARG 57 Cb 2.25 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 2qlc h ARG 57 CO -0.11 0.75 -0.00 0.93 -1.51 0.00 0.00 179.97 180.03 2qlc h GLU 58 N 1.16 -0.00 -0.53 0.20 5.08 -1.47 -2.70 114.58 116.32 2qlc h GLU 58 Ca 0.42 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 2qlc h GLU 58 Cb 0.15 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 2qlc h GLU 58 CO -0.16 0.74 -0.25 0.82 -1.00 0.00 0.00 179.01 179.16 2qlc h ILE 59 N -1.00 0.29 0.00 3.13 2.04 -1.53 -1.57 117.51 118.87 2qlc h ILE 59 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2qlc h ILE 59 Cb 0.74 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2qlc h ILE 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.89 2qlc h PHE 60 N -0.12 0.00 -0.27 1.37 0.04 -1.50 -2.49 116.94 113.97 2qlc h PHE 60 Ca 0.24 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 2qlc h PHE 60 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2qlc h PHE 60 CO -0.54 0.00 -0.15 -0.22 -0.60 0.00 0.00 178.31 176.80 2qlc h LYS 61 N 0.00 0.58 -0.64 1.51 3.64 -0.94 0.89 116.57 121.61 2qlc h LYS 61 Ca 0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2qlc h LYS 61 Cb 0.80 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2qlc h LYS 61 CO 0.00 0.83 0.34 0.00 -2.27 0.00 0.00 179.45 178.35 2qlc h ALA 62 N 0.73 0.82 -0.08 5.00 0.00 -1.47 0.93 119.26 125.19 2qlc h ALA 62 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qlc h ALA 62 Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2qlc h ALA 62 CO 0.04 0.34 -0.10 0.00 0.00 0.00 0.00 179.25 179.53 2qlc h ALA 63 N 1.16 -0.04 -0.35 0.00 0.00 -1.32 -0.06 119.26 118.65 2qlc h ALA 63 Ca 0.22 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2qlc h ALA 63 Cb 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2qlc h ALA 63 CO -0.03 -0.57 -0.03 0.82 0.00 0.00 0.00 179.25 179.44 2qlc h ILE 64 N -0.13 1.21 -0.10 0.00 2.04 -0.68 0.47 117.51 120.32 2qlc h ILE 64 Ca 0.07 -0.88 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 2qlc h ILE 64 Cb 0.23 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2qlc h ILE 64 CO -0.16 0.30 -0.57 -0.09 0.00 0.00 0.00 178.15 177.63 2qlc h ARG 65 N 0.53 0.31 -0.29 2.37 2.43 -0.49 -2.48 114.38 116.75 2qlc h ARG 65 Ca 0.11 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qlc h ARG 65 Cb 0.39 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2qlc h ARG 65 CO 0.02 0.79 0.00 0.39 -1.51 0.00 0.00 179.97 179.66 2qlc n GLU 66 N -3.91 1.71 -3.62 0.20 1.02 -0.06 -4.91 120.64 111.07 2qlc n GLU 66 Ca -0.02 -1.10 -0.20 0.00 -0.02 0.00 0.00 57.16 55.82 2qlc n GLU 66 Cb 0.60 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 2qlc n GLU 66 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qlc n SER 67 N 0.39 -0.02 -4.76 1.62 3.41 -0.86 -4.87 113.62 108.52 2qlc n SER 67 Ca 0.11 -0.73 -0.41 0.00 -0.26 0.00 0.00 58.87 57.58 2qlc n SER 67 Cb 0.27 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 2qlc n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qlc s ALA 68 N -3.86 3.61 -0.03 7.33 0.00 0.10 -4.94 121.76 123.97 2qlc s ALA 68 Ca 0.06 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.28 2qlc s ALA 68 Cb -0.03 -3.59 -0.29 0.00 0.00 0.00 0.00 23.12 19.21 2qlc s ALA 68 CO 0.57 -0.91 0.96 1.25 0.00 0.00 0.00 175.76 177.63 2qlc h HIS 69 N 3.88 0.56 -4.49 0.00 -0.00 -0.89 -3.46 115.15 110.75 2qlc h HIS 69 Ca -0.49 -0.37 -0.25 0.00 -0.00 0.00 0.00 60.37 59.26 2qlc h HIS 69 Cb 1.23 -0.04 -0.14 0.00 -0.00 0.00 0.00 27.41 28.46 2qlc h HIS 69 CO 0.56 1.25 -0.52 -1.54 -0.00 0.00 0.00 177.93 177.68 2qlc s SER 70 N -6.89 0.35 0.07 3.26 1.04 -1.06 -3.60 113.70 106.88 2qlc s SER 70 Ca -0.13 -1.39 0.03 0.00 0.48 0.00 0.00 55.95 54.94 2qlc s SER 70 Cb 0.02 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2qlc s SER 70 CO 0.83 -0.93 -0.10 0.27 0.98 0.00 0.00 173.24 174.29 2qlc s ILE 71 N -4.00 0.78 -0.05 -1.02 -4.36 -0.69 -0.57 121.20 111.28 2qlc s ILE 71 Ca 0.37 -1.36 0.04 0.00 -0.26 0.00 0.00 60.65 59.44 2qlc s ILE 71 Cb 0.05 -1.01 -0.00 0.00 1.25 0.00 0.00 42.46 42.75 2qlc s ILE 71 CO 0.14 -0.45 -0.16 -0.63 0.24 0.00 0.00 174.94 174.08 2qlc s ILE 72 N -1.87 1.37 -0.12 8.37 1.01 -0.66 -1.43 121.20 127.88 2qlc s ILE 72 Ca -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 2qlc s ILE 72 Cb -0.07 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 2qlc s ILE 72 CO 0.00 0.40 0.32 -0.76 0.00 0.00 0.00 174.94 174.90 2qlc s LEU 73 N 0.13 4.32 -0.09 2.97 1.43 -0.86 -0.40 118.68 126.18 2qlc s LEU 73 Ca -0.06 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2qlc s LEU 73 Cb -0.12 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.69 2qlc s LEU 73 CO 0.02 0.18 -0.17 -0.69 0.23 0.00 0.00 176.35 175.92 2qlc s VAL 74 N -0.04 1.56 -0.12 -1.59 1.01 0.04 -0.68 120.40 120.57 2qlc s VAL 74 Ca 0.19 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2qlc s VAL 74 Cb -0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2qlc s VAL 74 CO 0.07 0.45 -0.15 -1.00 0.00 0.00 0.00 175.10 174.47 2qlc s HIS 75 N 0.69 2.76 -0.04 5.22 3.76 -0.76 -0.07 115.29 126.85 2qlc s HIS 75 Ca -0.13 -0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 54.00 2qlc s HIS 75 Cb -0.16 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 2qlc s HIS 75 CO 0.03 -0.24 0.24 0.54 -0.85 0.00 0.00 174.74 174.46 2qlc s ASN 76 N 0.33 6.49 -0.31 1.40 2.20 -0.94 -0.19 114.94 123.91 2qlc s ASN 76 Ca -0.12 0.57 -0.06 0.00 -0.94 0.00 0.00 52.86 52.31 2qlc s ASN 76 Cb -0.16 -2.10 0.03 0.00 -2.00 0.00 0.00 41.25 37.01 2qlc s ASN 76 CO 0.06 0.32 0.09 -1.00 -2.94 0.00 0.00 177.10 173.62 2qlc s HIS 77 N -1.18 3.20 -0.33 1.54 3.76 0.07 -4.00 115.29 118.35 2qlc s HIS 77 Ca 0.23 -1.23 0.20 0.00 -0.15 0.00 0.00 55.06 54.11 2qlc s HIS 77 Cb -0.13 -2.26 1.03 0.00 1.11 0.00 0.00 32.58 32.33 2qlc s HIS 77 CO 0.12 -0.66 1.61 -2.30 -0.85 0.00 0.00 174.74 172.65 2qlc n PRO 78 N 4.83 0.13 0.00 8.40 -0.02 -1.26 -4.39 135.00 142.69 2qlc n PRO 78 Ca -0.14 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2qlc n PRO 78 Cb 0.46 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2qlc n PRO 78 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2qlc n SER 79 N -2.18 0.00 0.00 2.55 7.64 -1.26 -4.88 113.62 115.49 2qlc n SER 79 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2qlc n SER 79 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2qlc n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qlc n GLY 80 N 2.67 0.67 3.64 0.23 0.00 -1.26 -5.01 105.19 106.13 2qlc n GLY 80 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 6.84 0.00 1.61 2.15 -1.26 -4.49 116.67 121.52 2qlc s ASP 81 Ca 0.00 1.11 0.09 0.00 0.43 0.00 0.00 52.55 54.17 2qlc s ASP 81 Cb 0.00 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.36 2qlc s ASP 81 CO 0.00 -0.95 1.22 1.33 -0.17 0.00 0.00 175.17 176.60 2qlc n VAL 82 N 5.99 0.29 -2.18 1.11 0.24 -1.26 -4.84 118.33 117.68 2qlc n VAL 82 Ca 0.13 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.34 61.73 2qlc n VAL 82 Cb 0.47 0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.71 4.26 0.20 7.34 -1.52 -1.26 -4.44 119.66 122.53 2qlc s GLN 83 Ca 0.17 2.08 -0.28 0.00 -1.95 0.00 0.00 55.36 55.38 2qlc s GLN 83 Cb 0.09 -2.95 -0.08 0.00 -0.22 0.00 0.00 33.01 29.85 2qlc s GLN 83 CO 0.12 -0.22 0.89 -1.25 -0.25 0.00 0.00 175.29 174.58 2qlc s PRO 84 N -1.93 4.75 0.76 2.91 0.04 -1.26 -5.07 135.00 135.19 2qlc s PRO 84 Ca 0.51 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2qlc s PRO 84 Cb -0.37 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 30.97 2qlc s PRO 84 CO 0.48 0.51 1.09 -1.54 0.04 0.00 0.00 177.00 177.57 2qlc s SER 85 N -1.05 4.58 0.41 6.66 1.04 -1.26 -4.94 113.70 119.14 2qlc s SER 85 Ca 0.40 0.52 0.22 0.00 0.48 0.00 0.00 55.95 57.57 2qlc s SER 85 Cb -0.25 -1.07 0.54 0.00 0.10 0.00 0.00 66.02 65.34 2qlc s SER 85 CO 0.30 -1.78 1.66 0.78 0.98 0.00 0.00 173.24 175.18 2qlc h ASN 86 N -0.82 0.00 0.08 7.02 2.35 -1.98 -1.81 115.58 120.43 2qlc h ASN 86 Ca -0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2qlc h ASN 86 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2qlc h ASN 86 CO 0.60 0.19 -0.04 0.00 -1.65 0.00 0.00 177.43 176.53 2qlc h ALA 87 N 1.81 -0.11 -0.53 -0.83 0.00 -1.94 -2.08 119.26 115.57 2qlc h ALA 87 Ca -0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2qlc h ALA 87 Cb 0.98 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 2qlc h ALA 87 CO 0.02 -0.53 0.08 -0.44 0.00 0.00 0.00 179.25 178.39 2qlc h ASP 88 N -0.17 -0.06 0.93 0.00 5.19 -1.79 -2.31 116.42 118.20 2qlc h ASP 88 Ca -0.01 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2qlc h ASP 88 Cb 0.14 0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2qlc h ASP 88 CO 0.02 -0.01 0.00 0.11 -3.12 0.00 0.00 179.24 176.24 2qlc h LYS 89 N 0.21 0.00 0.11 3.56 1.57 -1.24 -2.55 116.57 118.23 2qlc h LYS 89 Ca 0.27 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.85 2qlc h LYS 89 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2qlc h LYS 89 CO -0.38 0.00 -0.97 1.96 -0.57 0.00 0.00 179.45 179.48 2qlc h GLN 90 N 0.00 0.24 0.00 3.15 4.20 -0.86 -3.00 115.11 118.85 2qlc h GLN 90 Ca 0.00 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 2qlc h GLN 90 Cb 0.47 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2qlc h GLN 90 CO 0.00 1.20 -0.13 -0.39 -0.67 0.00 0.00 178.83 178.84 2qlc h VAL 91 N -0.43 0.95 -0.34 -0.54 -1.51 -1.40 -2.07 116.25 110.92 2qlc h VAL 91 Ca -0.20 -0.47 -0.16 0.00 -1.23 0.00 0.00 66.70 64.64 2qlc h VAL 91 Cb 1.62 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2qlc h VAL 91 CO 0.09 0.13 -0.41 0.74 -1.23 0.00 0.00 177.57 176.89 2qlc h THR 92 N 0.00 1.28 -0.04 7.19 2.02 -1.52 -2.15 112.91 119.70 2qlc h THR 92 Ca -0.00 -1.59 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 2qlc h THR 92 Cb 0.26 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2qlc h THR 92 CO 0.02 0.52 0.01 0.28 0.37 0.00 0.00 175.52 176.72 2qlc h SER 93 N 0.68 0.06 0.20 4.18 0.02 -1.30 -0.39 113.55 116.99 2qlc h SER 93 Ca 0.05 -0.24 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 2qlc h SER 93 Cb 0.98 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2qlc h SER 93 CO 0.09 0.29 -0.56 0.16 -1.14 0.00 0.00 176.83 175.68 2qlc h ILE 94 N -0.17 1.35 0.02 3.27 -0.00 -1.37 -2.70 117.51 117.91 2qlc h ILE 94 Ca 0.01 -1.84 -0.22 0.00 -0.00 0.00 0.00 64.86 62.81 2qlc h ILE 94 Cb 0.25 1.86 -0.02 0.00 -0.00 0.00 0.00 36.82 38.91 2qlc h ILE 94 CO 0.00 0.56 -1.02 -0.07 -0.00 0.00 0.00 178.15 177.62 2qlc h LEU 95 N 0.29 0.08 -0.15 0.16 3.38 -1.44 -1.62 115.31 116.00 2qlc h LEU 95 Ca 0.00 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qlc h LEU 95 Cb 1.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2qlc h LEU 95 CO 0.09 1.05 0.04 0.50 0.09 0.00 0.00 178.44 180.21 2qlc h LYS 96 N 0.02 0.10 0.00 1.13 3.64 -1.00 -0.08 116.57 120.38 2qlc h LYS 96 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qlc h LYS 96 Cb 1.77 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 2qlc h LYS 96 CO 0.14 0.07 -0.46 1.57 -2.27 0.00 0.00 179.45 178.49 2qlc h LYS 97 N 0.11 0.00 -0.33 1.90 2.10 -1.53 -1.22 116.57 117.60 2qlc h LYS 97 Ca 0.07 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.58 2qlc h LYS 97 Cb 0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2qlc h LYS 97 CO -0.08 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.02 2qlc h ALA 98 N 2.04 0.75 -0.44 0.07 0.00 -1.23 -1.41 119.26 119.04 2qlc h ALA 98 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2qlc h ALA 98 Cb 0.98 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2qlc h ALA 98 CO 0.00 0.66 -0.24 0.78 0.00 0.00 0.00 179.25 180.45 2qlc h GLY 99 N 0.93 0.98 0.95 0.00 0.00 -0.86 -1.20 103.07 103.87 2qlc h GLY 99 Ca 0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 2qlc h GLY 99 CO 0.08 0.79 0.17 -0.55 0.00 0.00 0.00 176.54 177.03 2qlc h ASP 100 N 0.78 0.47 -0.01 0.19 5.19 -1.25 0.36 116.42 122.14 2qlc h ASP 100 Ca 0.10 -0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2qlc h ASP 100 Cb 0.79 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 2qlc h ASP 100 CO 0.07 0.46 -0.39 0.25 -3.12 0.00 0.00 179.24 176.51 2qlc h LEU 101 N 0.44 -1.17 -0.49 1.55 5.85 -1.10 -2.77 115.31 117.61 2qlc h LEU 101 Ca 0.12 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2qlc h LEU 101 Cb 0.12 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2qlc h LEU 101 CO -0.02 -0.43 0.00 0.18 -0.34 0.00 0.00 178.44 177.83 2qlc n LEU 102 N -5.44 0.76 -3.76 2.25 4.77 -0.47 -4.91 117.00 110.21 2qlc n LEU 102 Ca -0.05 -0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.39 2qlc n LEU 102 Cb 0.36 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2qlc n LEU 102 CO 0.17 0.13 0.18 0.00 -1.33 0.00 0.00 177.39 176.54 2qlc n GLN 103 N -0.39 -6.78 -3.81 3.23 6.02 0.11 -4.95 117.38 110.80 2qlc n GLN 103 Ca 0.21 0.71 -0.29 0.00 -0.01 0.00 0.00 57.00 57.62 2qlc n GLN 103 Cb 0.23 -5.69 -0.13 0.00 1.02 0.00 0.00 30.24 25.67 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 -3.31 2.08 0.28 5.09 1.01 -0.05 -4.93 121.20 121.37 2qlc s ILE 104 Ca 0.63 -3.26 -0.30 0.00 0.00 0.00 0.00 60.65 57.73 2qlc s ILE 104 Cb -0.30 -2.42 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 2qlc s ILE 104 CO 0.78 -0.92 1.56 -0.70 0.00 0.00 0.00 174.94 175.65 2qlc s GLU 105 N -0.35 4.15 -0.68 2.79 2.12 -1.24 -4.35 118.70 121.14 2qlc s GLU 105 Ca 0.21 2.52 -0.27 0.00 0.36 0.00 0.00 54.97 57.78 2qlc s GLU 105 Cb -0.17 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2qlc s GLU 105 CO -0.06 -0.58 1.48 -1.17 -0.54 0.00 0.00 175.26 174.39 2qlc s LEU 106 N -0.50 3.22 0.09 2.70 2.96 -1.26 -1.71 118.68 124.18 2qlc s LEU 106 Ca 0.62 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 2qlc s LEU 106 Cb -0.46 -2.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.53 2qlc s LEU 106 CO 0.47 -2.00 1.41 0.25 -1.32 0.00 0.00 176.35 175.16 2qlc h LEU 107 N 14.12 0.65 -7.29 -0.68 5.85 -1.61 -3.47 115.31 122.89 2qlc h LEU 107 Ca -0.27 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.02 2qlc h LEU 107 Cb 1.09 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 2qlc h LEU 107 CO 1.25 0.98 0.27 -0.62 -0.34 0.00 0.00 178.44 179.98 2qlc s ASP 108 N -6.42 -0.44 -0.13 1.25 -1.08 -1.26 -4.84 116.67 103.75 2qlc s ASP 108 Ca -0.13 -0.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.74 2qlc s ASP 108 Cb 0.08 0.60 0.02 0.00 -1.46 0.00 0.00 42.92 42.15 2qlc s ASP 108 CO 0.81 -1.01 -0.17 -2.28 0.52 0.00 0.00 175.17 173.03 2qlc s HIS 109 N -3.68 2.26 -0.16 -5.34 5.65 -1.26 -2.03 115.29 110.73 2qlc s HIS 109 Ca 0.05 -1.17 0.01 0.00 0.25 0.00 0.00 55.06 54.20 2qlc s HIS 109 Cb -0.02 -1.61 0.02 0.00 -1.18 0.00 0.00 32.58 29.79 2qlc s HIS 109 CO -0.07 -0.59 -0.19 0.08 -0.65 0.00 0.00 174.74 173.32 2qlc s VAL 110 N 1.10 1.93 -0.15 0.89 1.01 0.14 -1.11 120.40 124.21 2qlc s VAL 110 Ca -0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 2qlc s VAL 110 Cb -0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2qlc s VAL 110 CO -0.05 0.52 0.39 -0.63 0.00 0.00 0.00 175.10 175.33 2qlc s ILE 111 N 1.19 5.24 0.16 2.22 1.01 0.00 -1.82 121.20 129.19 2qlc s ILE 111 Ca 0.01 0.74 0.09 0.00 0.00 0.00 0.00 60.65 61.49 2qlc s ILE 111 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2qlc s ILE 111 CO -0.09 0.33 -0.13 0.68 0.00 0.00 0.00 174.94 175.73 2qlc s VAL 112 N 0.72 3.04 0.00 2.92 -7.23 0.73 -0.90 120.40 119.68 2qlc s VAL 112 Ca 0.21 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2qlc s VAL 112 Cb -0.14 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2qlc s VAL 112 CO 0.07 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2qlc n GLY 113 N 0.34 3.09 0.00 2.32 0.00 -0.52 -0.75 105.19 109.67 2qlc n GLY 113 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.44 0.00 -0.26 1.61 3.02 -1.26 -3.45 115.26 114.48 2qlc n ASN 114 Ca 0.00 0.70 0.05 0.00 -0.03 0.00 0.00 54.58 55.30 2qlc n ASN 114 Cb 0.00 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 2qlc n ASN 114 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qlc n ASN 115 N -2.23 1.26 -3.65 6.41 5.15 -1.26 -5.06 115.26 115.87 2qlc n ASN 115 Ca 0.00 -2.54 -0.13 0.00 -0.60 0.00 0.00 54.58 51.30 2qlc n ASN 115 Cb 0.00 -0.31 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qlc s ASP 116 N -1.95 -0.32 0.06 1.20 2.15 -1.22 -5.17 116.67 111.42 2qlc s ASP 116 Ca 0.17 0.06 -0.10 0.00 0.43 0.00 0.00 52.55 53.11 2qlc s ASP 116 Cb 0.14 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.20 2qlc s ASP 116 CO 0.02 -0.65 0.22 -1.66 -0.17 0.00 0.00 175.17 172.93 2qlc s TRP 117 N -2.32 0.04 -0.09 -5.34 1.48 -1.26 -1.43 118.94 110.02 2qlc s TRP 117 Ca -0.06 -0.31 0.01 0.00 -1.06 0.00 0.00 56.10 54.67 2qlc s TRP 117 Cb -0.01 -0.00 0.02 0.00 -1.16 0.00 0.00 33.47 32.32 2qlc s TRP 117 CO -0.01 -0.49 -0.08 0.12 -4.06 0.00 0.00 176.95 172.42 2qlc s PHE 118 N -3.03 1.32 -0.25 1.66 5.36 -0.08 -4.97 117.98 117.99 2qlc s PHE 118 Ca -0.02 -0.56 -0.12 0.00 -0.96 0.00 0.00 56.93 55.27 2qlc s PHE 118 Cb 0.01 -1.07 -0.05 0.00 -0.34 0.00 0.00 43.02 41.57 2qlc s PHE 118 CO -0.06 -0.38 0.25 0.45 -1.46 0.00 0.00 175.22 174.01 2qlc s SER 119 N 1.28 6.17 0.17 6.13 0.15 -1.26 -0.82 113.70 125.52 2qlc s SER 119 Ca -0.04 0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.65 2qlc s SER 119 Cb -0.14 -2.15 0.08 0.00 -1.71 0.00 0.00 66.02 62.10 2qlc s SER 119 CO -0.03 -0.03 1.81 -0.26 1.20 0.00 0.00 173.24 175.92 2qlc h PHE 120 N 7.83 0.52 -0.85 3.44 -1.00 -1.49 -2.49 116.94 122.89 2qlc h PHE 120 Ca -0.36 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.43 2qlc h PHE 120 Cb 1.17 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 40.53 2qlc h PHE 120 CO 0.71 0.30 0.52 -0.09 -1.61 0.00 0.00 178.31 178.13 2qlc h ARG 121 N 0.56 1.16 0.00 1.51 2.43 -1.88 0.19 114.38 118.34 2qlc h ARG 121 Ca 0.19 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2qlc h ARG 121 Cb 0.02 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2qlc h ARG 121 CO -0.09 0.81 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.51 2qlc h ASP 122 N 1.17 0.00 -0.91 -3.80 3.32 -1.92 -2.20 116.42 112.08 2qlc h ASP 122 Ca 0.31 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.89 2qlc h ASP 122 Cb -0.05 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.22 2qlc h ASP 122 CO -0.06 0.23 0.59 1.41 -1.72 0.00 0.00 179.24 179.69 2qlc n HIS 123 N -3.41 2.81 -4.12 4.55 8.25 -0.95 -4.93 115.22 117.42 2qlc n HIS 123 Ca -0.00 -1.72 -0.34 0.00 -0.26 0.00 0.00 57.72 55.40 2qlc n HIS 123 Cb 0.42 -0.88 -0.01 0.00 1.12 0.00 0.00 29.99 30.64 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 -0.98 -1.25 -0.15 -1.41 0.00 -0.83 -4.83 120.51 111.05 2qlc n ALA 124 Ca 0.55 0.06 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2qlc n ALA 124 Cb 1.57 -3.83 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2qlc n ALA 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qlc n LEU 125 N -4.47 1.54 -0.84 0.00 0.00 0.03 -5.03 117.00 108.23 2qlc n LEU 125 Ca 0.07 -1.54 0.13 0.00 0.00 0.00 0.00 56.01 54.67 2qlc n LEU 125 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 43.42 44.13 2qlc n LEU 125 CO 0.82 0.38 0.69 -0.11 0.00 0.00 0.00 177.39 179.18