#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkm h GLU 2 N 0.00 0.00 -0.80 2.12 4.11 -2.07 -3.32 114.58 114.62 2qkm h GLU 2 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.61 2qkm h GLU 2 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 2qkm h GLU 2 CO 0.00 0.14 -0.05 -0.44 0.07 0.00 0.00 179.01 178.73 2qkm h ASP 3 N 0.00 -0.48 -0.99 3.06 3.32 -2.05 0.04 116.42 119.32 2qkm h ASP 3 Ca -0.00 0.22 0.18 0.00 0.02 0.00 0.00 57.03 57.45 2qkm h ASP 3 Cb 1.00 0.41 -0.10 0.00 0.22 0.00 0.00 39.33 40.86 2qkm h ASP 3 CO 0.02 -0.23 0.62 1.05 -1.72 0.00 0.00 179.24 178.98 2qkm h GLU 4 N 0.06 0.74 -0.08 3.56 4.11 -1.99 -0.09 114.58 120.89 2qkm h GLU 4 Ca 0.43 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.78 2qkm h GLU 4 Cb 0.75 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2qkm h GLU 4 CO -0.74 0.49 -0.09 -0.91 0.07 0.00 0.00 179.01 177.83 2qkm h ASN 5 N 0.76 0.21 -0.69 3.06 -0.26 -1.23 0.51 115.58 117.92 2qkm h ASN 5 Ca 0.55 -0.50 0.12 0.00 -0.56 0.00 0.00 56.30 55.91 2qkm h ASN 5 Cb 0.87 -0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 37.98 2qkm h ASN 5 CO -0.34 0.67 0.25 0.40 -1.06 0.00 0.00 177.43 177.35 2qkm h ILE 6 N -0.25 0.69 -0.18 2.81 5.03 -1.06 0.11 117.51 124.66 2qkm h ILE 6 Ca 0.01 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 2qkm h ILE 6 Cb 0.61 0.24 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 2qkm h ILE 6 CO 0.02 0.07 0.11 -0.07 -0.68 0.00 0.00 178.15 177.61 2qkm h LEU 7 N 0.41 0.21 -1.61 1.44 4.07 -0.91 -2.69 115.31 116.23 2qkm h LEU 7 Ca 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.29 2qkm h LEU 7 Cb 0.53 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2qkm h LEU 7 CO -0.38 0.18 0.15 -0.09 -1.08 0.00 0.00 178.44 177.23 2qkm h ARG 8 N 0.22 0.41 0.03 1.13 2.43 0.11 -2.57 114.38 116.15 2qkm h ARG 8 Ca 0.07 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qkm h ARG 8 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2qkm h ARG 8 CO -0.01 0.32 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.84 2qkm h ASN 9 N 0.42 -0.03 -0.93 -3.80 2.35 -0.75 -2.57 115.58 110.26 2qkm h ASN 9 Ca 0.11 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.51 2qkm h ASN 9 Cb 0.03 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 2qkm h ASN 9 CO -0.02 0.40 0.59 0.00 -1.65 0.00 0.00 177.43 176.76 2qkm h ALA 10 N 0.48 1.28 -0.27 -0.83 0.00 -1.29 -0.87 119.26 117.75 2qkm h ALA 10 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qkm h ALA 10 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qkm h ALA 10 CO 0.01 0.36 0.05 0.28 0.00 0.00 0.00 179.25 179.95 2qkm h VAL 11 N 1.07 1.23 -0.37 0.00 2.07 -1.52 -1.65 116.25 117.08 2qkm h VAL 11 Ca 0.40 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.21 2qkm h VAL 11 Cb 0.17 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2qkm h VAL 11 CO -0.17 0.25 0.11 0.78 0.02 0.00 0.00 177.57 178.56 2qkm h ASN 12 N 0.27 0.10 -0.16 0.57 2.35 -0.94 -0.13 115.58 117.64 2qkm h ASN 12 Ca 0.08 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2qkm h ASN 12 Cb 0.32 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2qkm h ASN 12 CO 0.00 0.09 -0.24 0.25 -1.65 0.00 0.00 177.43 175.89 2qkm h LEU 13 N 0.26 0.61 0.08 1.61 5.85 -1.12 -1.89 115.31 120.72 2qkm h LEU 13 Ca 0.17 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qkm h LEU 13 Cb 0.17 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qkm h LEU 13 CO -0.19 0.84 -0.04 1.56 -0.34 0.00 0.00 178.44 180.27 2qkm h GLN 14 N 0.53 -0.10 -0.42 1.25 4.20 -0.84 -1.09 115.11 118.64 2qkm h GLN 14 Ca 0.08 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.86 2qkm h GLN 14 Cb 0.70 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 2qkm h GLN 14 CO 0.05 0.07 0.07 0.28 -0.67 0.00 0.00 178.83 178.63 2qkm h VAL 15 N -0.26 0.75 0.18 -0.54 2.07 -0.69 0.14 116.25 117.90 2qkm h VAL 15 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qkm h VAL 15 Cb 0.22 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qkm h VAL 15 CO 0.02 0.03 -0.09 -0.07 0.02 0.00 0.00 177.57 177.49 2qkm h LEU 16 N 0.19 -0.20 -1.81 2.57 3.38 -1.34 -2.88 115.31 115.22 2qkm h LEU 16 Ca 0.21 -0.29 0.23 0.00 0.09 0.00 0.00 57.88 58.11 2qkm h LEU 16 Cb 0.27 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2qkm h LEU 16 CO -0.29 0.22 0.59 0.11 0.09 0.00 0.00 178.44 179.17 2qkm h LYS 17 N -0.67 0.15 -0.48 1.13 1.57 -1.10 1.25 116.57 118.42 2qkm h LYS 17 Ca -0.02 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2qkm h LYS 17 Cb 0.48 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2qkm h LYS 17 CO 0.04 0.10 0.04 0.35 -0.57 0.00 0.00 179.45 179.41 2qkm h PHE 18 N 0.16 0.81 0.12 -1.35 3.57 -0.52 -2.59 116.94 117.13 2qkm h PHE 18 Ca 0.42 -0.10 -0.31 0.00 3.53 0.00 0.00 57.97 61.52 2qkm h PHE 18 Cb 1.42 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2qkm h PHE 18 CO -0.00 0.73 -1.56 0.45 -2.23 0.00 0.00 178.31 175.69 2qkm h HIS 19 N 0.73 0.45 -2.68 0.41 3.86 -0.68 -3.44 115.15 113.80 2qkm h HIS 19 Ca 0.15 -0.33 -0.53 0.00 -1.16 0.00 0.00 60.37 58.50 2qkm h HIS 19 Cb 0.39 -0.02 -0.39 0.00 1.06 0.00 0.00 27.41 28.45 2qkm h HIS 19 CO 0.02 1.40 -0.79 0.71 0.86 0.00 0.00 177.93 180.13 2qkm s TYR 20 N -2.61 0.37 -0.22 2.45 1.51 0.41 -5.03 117.35 114.22 2qkm s TYR 20 Ca -0.10 -1.04 0.28 0.00 -1.01 0.00 0.00 57.07 55.21 2qkm s TYR 20 Cb 0.07 -0.87 1.14 0.00 -0.11 0.00 0.00 41.96 42.19 2qkm s TYR 20 CO 0.85 -0.84 1.84 -1.35 -1.11 0.00 0.00 175.55 174.94 2qkm h PRO 21 N 8.00 0.00 0.00 -1.71 0.11 -1.70 -2.83 132.00 133.87 2qkm h PRO 21 Ca -0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 2qkm h PRO 21 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2qkm h PRO 21 CO 0.38 0.00 -0.30 0.93 -0.21 0.00 0.00 178.00 178.80 2qkm h GLU 22 N 0.00 0.00 -6.68 1.05 4.39 -1.94 -3.45 114.58 107.95 2qkm h GLU 22 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2qkm h GLU 22 Cb 0.46 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.17 2qkm h GLU 22 CO 0.00 0.30 0.87 0.42 -1.16 0.00 0.00 179.01 179.44 2qkm s ILE 23 N -3.87 2.45 -0.02 3.13 1.01 -1.07 -1.85 121.20 120.99 2qkm s ILE 23 Ca -0.01 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.01 2qkm s ILE 23 Cb 0.12 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2qkm s ILE 23 CO 0.66 0.04 0.04 1.21 0.00 0.00 0.00 174.94 176.90 2qkm n GLU 24 N 3.29 1.62 -3.84 2.79 4.07 -0.86 -4.79 120.64 122.92 2qkm n GLU 24 Ca 0.12 -0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 57.08 2qkm n GLU 24 Cb 0.38 -1.08 -0.12 0.00 -0.06 0.00 0.00 31.44 30.57 2qkm n GLU 24 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2qkm s SER 25 N -2.81 -0.09 -0.22 4.31 0.15 -1.13 -5.03 113.70 108.87 2qkm s SER 25 Ca -0.01 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 2qkm s SER 25 Cb 0.02 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2qkm s SER 25 CO 0.13 -0.14 0.09 -0.63 1.20 0.00 0.00 173.24 173.89 2qkm s ILE 26 N -0.34 4.77 -0.14 6.45 1.01 -1.26 -0.83 121.20 130.87 2qkm s ILE 26 Ca -0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 2qkm s ILE 26 Cb -0.03 -3.20 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 2qkm s ILE 26 CO 0.00 0.39 0.24 0.40 0.00 0.00 0.00 174.94 175.97 2qkm h ILE 27 N 5.15 0.70 -3.46 2.92 2.04 0.13 -3.48 117.51 121.51 2qkm h ILE 27 Ca -0.37 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.87 2qkm h ILE 27 Cb 1.17 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 2qkm h ILE 27 CO 0.64 0.24 -0.02 -0.62 0.00 0.00 0.00 178.15 178.39 2qkm s ASP 28 N -5.99 -0.14 -0.05 1.72 -1.08 -1.11 -4.98 116.67 105.04 2qkm s ASP 28 Ca -0.13 -0.82 -0.04 0.00 -0.52 0.00 0.00 52.55 51.04 2qkm s ASP 28 Cb 0.00 0.62 0.02 0.00 -1.46 0.00 0.00 42.92 42.11 2qkm s ASP 28 CO 0.34 -1.19 0.13 -0.63 0.52 0.00 0.00 175.17 174.35 2qkm s ILE 29 N -3.98 -0.02 -0.09 4.11 1.01 -1.26 0.87 121.20 121.84 2qkm s ILE 29 Ca 0.19 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2qkm s ILE 29 Cb -0.02 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 2qkm s ILE 29 CO 0.08 0.03 -0.23 0.00 0.00 0.00 0.00 174.94 174.81 2qkm s ALA 30 N 0.46 2.09 0.19 9.38 0.00 -0.21 -5.02 121.76 128.66 2qkm s ALA 30 Ca -0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2qkm s ALA 30 Cb -0.05 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.43 2qkm s ALA 30 CO -0.02 0.30 1.76 1.03 0.00 0.00 0.00 175.76 178.83 2qkm h SER 31 N 6.60 0.96 -3.07 0.00 0.87 -1.91 0.18 113.55 117.20 2qkm h SER 31 Ca -0.22 -0.16 -0.52 0.00 -1.23 0.00 0.00 61.79 59.65 2qkm h SER 31 Cb 1.22 -0.25 -0.40 0.00 -0.44 0.00 0.00 62.40 62.53 2qkm h SER 31 CO 0.47 0.86 -0.76 -2.28 -0.53 0.00 0.00 176.83 174.59 2qkm s HIS 32 N -5.59 0.78 -0.03 2.24 2.46 -1.26 -3.79 115.29 110.10 2qkm s HIS 32 Ca -0.13 -0.92 0.07 0.00 0.47 0.00 0.00 55.06 54.56 2qkm s HIS 32 Cb 0.14 -1.05 -0.02 0.00 -0.13 0.00 0.00 32.58 31.52 2qkm s HIS 32 CO 0.82 -0.70 -0.24 0.08 -2.47 0.00 0.00 174.74 172.22 2qkm s VAL 33 N 1.94 1.93 -0.06 0.89 1.01 -0.32 -2.22 120.40 123.57 2qkm s VAL 33 Ca 0.05 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2qkm s VAL 33 Cb -0.17 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2qkm s VAL 33 CO -0.20 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.36 2qkm s ALA 34 N -0.49 2.91 -0.17 5.51 0.00 -0.62 -1.61 121.76 127.30 2qkm s ALA 34 Ca 0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2qkm s ALA 34 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2qkm s ALA 34 CO -0.00 0.57 0.07 0.08 0.00 0.00 0.00 175.76 176.49 2qkm s VAL 35 N -0.80 4.92 0.14 0.00 1.01 -0.84 -1.09 120.40 123.74 2qkm s VAL 35 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.18 2qkm s VAL 35 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2qkm s VAL 35 CO 0.01 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.13 2qkm s TYR 36 N 0.06 1.65 0.40 5.22 1.51 0.72 -2.08 117.35 124.83 2qkm s TYR 36 Ca 0.06 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2qkm s TYR 36 Cb -0.12 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2qkm s TYR 36 CO 0.00 0.25 0.13 -1.14 -1.11 0.00 0.00 175.55 173.68 2qkm s GLN 37 N -2.68 1.89 -0.00 -0.62 0.74 -0.39 0.41 119.66 119.00 2qkm s GLN 37 Ca 0.12 -2.14 0.02 0.00 0.05 0.00 0.00 55.36 53.41 2qkm s GLN 37 Cb -0.06 -0.58 -0.03 0.00 1.10 0.00 0.00 33.01 33.44 2qkm s GLN 37 CO 0.05 -0.46 -0.03 0.12 -0.55 0.00 0.00 175.29 174.42 2qkm s PHE 38 N -3.24 2.99 -0.62 1.67 5.36 -1.17 -0.66 117.98 122.32 2qkm s PHE 38 Ca 0.26 0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.11 2qkm s PHE 38 Cb 0.03 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 2qkm s PHE 38 CO 0.15 0.42 0.64 -0.25 -1.46 0.00 0.00 175.22 174.73 2qkm n ASP 39 N 1.48 -6.40 0.11 6.13 9.92 -1.26 -4.93 116.55 121.59 2qkm n ASP 39 Ca -0.15 -0.20 -0.02 0.00 -0.53 0.00 0.00 54.79 53.88 2qkm n ASP 39 Cb 0.53 -3.33 0.00 0.00 -0.64 0.00 0.00 41.12 37.68 2qkm n ASP 39 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2qkm h LYS 44 N 1.05 0.00 -6.70 -1.24 1.57 -2.09 -3.51 116.57 105.66 2qkm h LYS 44 Ca -0.33 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.93 2qkm h LYS 44 Cb 1.22 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.56 2qkm h LYS 44 CO 0.28 0.75 0.61 -1.58 -0.57 0.00 0.00 179.45 178.93 2qkm s TRP 45 N -2.98 3.32 -0.03 -1.35 0.52 -1.26 -4.97 118.94 112.19 2qkm s TRP 45 Ca 0.02 1.34 0.06 0.00 0.02 0.00 0.00 56.10 57.54 2qkm s TRP 45 Cb 0.10 -3.53 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 2qkm s TRP 45 CO 0.78 -1.55 -0.21 -0.51 0.02 0.00 0.00 176.95 175.48 2qkm s LEU 46 N -0.37 2.33 0.08 2.99 2.01 0.17 -4.96 118.68 120.93 2qkm s LEU 46 Ca 0.54 -0.36 -0.28 0.00 0.01 0.00 0.00 54.13 54.04 2qkm s LEU 46 Cb -0.35 -1.43 -0.06 0.00 0.01 0.00 0.00 46.19 44.37 2qkm s LEU 46 CO 0.39 0.33 0.88 -0.75 1.01 0.00 0.00 176.35 178.21 2qkm s LYS 47 N -0.66 4.61 0.45 1.70 2.20 -1.26 -1.26 119.74 125.51 2qkm s LYS 47 Ca 0.11 1.28 0.07 0.00 -0.36 0.00 0.00 55.97 57.07 2qkm s LYS 47 Cb -0.10 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2qkm s LYS 47 CO -0.00 0.23 0.61 0.99 -0.36 0.00 0.00 175.35 176.82 2qkm s THR 48 N 0.01 2.91 -0.12 3.43 2.01 -0.88 -4.95 115.64 118.05 2qkm s THR 48 Ca 0.43 -0.95 0.25 0.00 0.31 0.00 0.00 61.69 61.73 2qkm s THR 48 Cb -0.22 -2.96 0.29 0.00 0.01 0.00 0.00 72.50 69.62 2qkm s THR 48 CO 0.27 0.00 1.74 0.77 -0.69 0.00 0.00 174.62 176.70 2qkm h SER 49 N 0.53 0.00 -3.24 3.53 4.64 -1.97 -3.46 113.55 113.59 2qkm h SER 49 Ca -0.40 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 2qkm h SER 49 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 2qkm h SER 49 CO 0.46 0.13 0.54 -0.63 -0.87 0.00 0.00 176.83 176.46 2qkm s ILE 50 N -3.40 4.80 -0.29 0.95 1.01 -1.26 -4.63 121.20 118.38 2qkm s ILE 50 Ca 0.03 1.82 -0.14 0.00 0.00 0.00 0.00 60.65 62.36 2qkm s ILE 50 Cb 0.08 -4.22 0.13 0.00 0.01 0.00 0.00 42.46 38.46 2qkm s ILE 50 CO 0.64 -0.04 0.80 -0.70 0.00 0.00 0.00 174.94 175.64 2qkm s GLU 51 N 2.45 0.51 0.00 2.79 2.12 -1.26 -1.99 118.70 123.32 2qkm s GLU 51 Ca 0.42 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.83 2qkm s GLU 51 Cb -0.16 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2qkm s GLU 51 CO 0.12 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2qkm n GLY 52 N 4.72 -0.62 3.72 -1.50 0.00 -0.63 0.34 105.19 111.22 2qkm n GLY 52 Ca -0.15 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2qkm n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkm s THR 53 N -3.56 4.74 -0.18 2.61 2.01 -1.05 -1.18 115.64 119.02 2qkm s THR 53 Ca 0.00 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.86 2qkm s THR 53 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2qkm s THR 53 CO 0.00 0.25 0.09 0.12 -0.69 0.00 0.00 174.62 174.39 2qkm s PHE 54 N 0.49 3.32 -0.12 4.92 2.19 0.64 -0.63 117.98 128.79 2qkm s PHE 54 Ca 0.47 0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.92 2qkm s PHE 54 Cb -0.21 -2.10 0.02 0.00 -1.31 0.00 0.00 43.02 39.42 2qkm s PHE 54 CO 0.27 0.23 -0.14 -0.06 1.83 0.00 0.00 175.22 177.35 2qkm s PHE 55 N 0.28 2.00 -0.45 10.12 0.40 0.87 -1.04 117.98 130.16 2qkm s PHE 55 Ca 0.05 -1.01 -0.22 0.00 -0.60 0.00 0.00 56.93 55.16 2qkm s PHE 55 Cb -0.12 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 41.97 2qkm s PHE 55 CO -0.00 -0.54 0.73 -1.17 0.70 0.00 0.00 175.22 174.93 2qkm s LEU 56 N 1.20 4.36 0.25 -0.37 2.96 0.25 -0.85 118.68 126.48 2qkm s LEU 56 Ca -0.02 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 2qkm s LEU 56 Cb -0.14 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2qkm s LEU 56 CO -0.05 -0.86 0.02 0.68 -1.32 0.00 0.00 176.35 174.82 2qkm s VAL 57 N 3.09 3.60 -0.09 1.68 -7.23 0.18 0.17 120.40 121.81 2qkm s VAL 57 Ca 0.27 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2qkm s VAL 57 Cb -0.13 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2qkm s VAL 57 CO 0.21 -0.34 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.70 2qkm s LYS 58 N -3.62 2.89 0.87 4.82 2.20 -0.01 -0.21 119.74 126.68 2qkm s LYS 58 Ca 0.31 -0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 54.97 2qkm s LYS 58 Cb -0.07 -2.33 0.11 0.00 -1.51 0.00 0.00 37.83 34.03 2qkm s LYS 58 CO 0.20 0.30 1.14 0.34 -0.36 0.00 0.00 175.35 176.97 2qkm s ASP 59 N 0.05 3.90 0.24 1.43 3.68 0.29 -2.02 116.67 124.23 2qkm s ASP 59 Ca -0.09 1.00 -0.00 0.00 2.13 0.00 0.00 52.55 55.59 2qkm s ASP 59 Cb -0.15 -1.60 0.27 0.00 -1.45 0.00 0.00 42.92 39.99 2qkm s ASP 59 CO 0.06 -2.31 1.63 -0.61 0.13 0.00 0.00 175.17 174.06 2qkm h GLN 60 N -1.33 0.54 -0.23 4.34 4.15 -1.69 -1.03 115.11 119.86 2qkm h GLN 60 Ca -0.49 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 58.68 2qkm h GLN 60 Cb 1.32 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2qkm h GLN 60 CO 0.62 0.82 0.00 0.54 -1.93 0.00 0.00 178.83 178.89 2qkm n ARG 61 N -4.05 1.33 -1.08 1.69 1.74 -1.26 -4.87 116.66 110.16 2qkm n ARG 61 Ca -0.01 -0.46 -0.03 0.00 -0.77 0.00 0.00 57.85 56.58 2qkm n ARG 61 Cb 0.49 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 2qkm n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkm n ALA 62 N -0.11 -0.04 -2.44 7.54 0.00 -0.39 -5.03 120.51 120.05 2qkm n ALA 62 Ca 0.04 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2qkm n ALA 62 Cb 0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2qkm n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qkm s ARG 63 N -2.14 4.29 0.30 0.00 0.52 -1.26 -4.57 118.95 116.09 2qkm s ARG 63 Ca 0.00 1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 56.60 2qkm s ARG 63 Cb 0.00 -3.67 -0.09 0.00 0.52 0.00 0.00 34.95 31.71 2qkm s ARG 63 CO 0.00 -0.59 1.05 0.08 0.02 0.00 0.00 175.30 175.86 2qkm s VAL 64 N 2.91 3.68 0.03 3.52 1.01 -1.26 0.10 120.40 130.39 2qkm s VAL 64 Ca 0.55 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 64.09 2qkm s VAL 64 Cb -0.23 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2qkm s VAL 64 CO 0.18 0.30 0.13 0.61 0.00 0.00 0.00 175.10 176.31 2qkm n GLY 65 N 1.03 1.43 3.11 4.51 0.00 0.70 -2.16 105.19 113.82 2qkm n GLY 65 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2qkm n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qkm s TYR 66 N -6.39 -0.11 -0.12 1.61 -0.85 -0.77 0.50 117.35 111.23 2qkm s TYR 66 Ca 0.03 0.23 -0.00 0.00 -0.52 0.00 0.00 57.07 56.81 2qkm s TYR 66 Cb -0.00 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 2qkm s TYR 66 CO 0.01 -0.22 -0.11 0.08 -1.52 0.00 0.00 175.55 173.79 2qkm s VAL 67 N -0.69 3.22 -0.31 -3.49 1.01 -0.03 -2.61 120.40 117.50 2qkm s VAL 67 Ca -0.08 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2qkm s VAL 67 Cb -0.04 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2qkm s VAL 67 CO 0.01 0.53 0.17 -0.63 0.00 0.00 0.00 175.10 175.19 2qkm s ILE 68 N 0.11 4.80 -0.89 2.22 -1.09 -0.81 -0.09 121.20 125.45 2qkm s ILE 68 Ca -0.05 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 57.80 2qkm s ILE 68 Cb -0.15 -3.44 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2qkm s ILE 68 CO 0.04 0.07 1.33 -0.76 -1.23 0.00 0.00 174.94 174.39 2qkm s LEU 69 N 1.65 3.57 0.21 2.97 1.43 0.20 -2.94 118.68 125.78 2qkm s LEU 69 Ca 0.05 -1.12 -0.32 0.00 -1.03 0.00 0.00 54.13 51.71 2qkm s LEU 69 Cb -0.17 -2.54 -0.14 0.00 0.03 0.00 0.00 46.19 43.37 2qkm s LEU 69 CO 0.07 -1.58 1.41 -3.20 0.23 0.00 0.00 176.35 173.28 2qkm n ASN 70 N 8.79 2.63 0.05 2.29 5.15 -1.26 -2.54 115.26 130.36 2qkm n ASN 70 Ca 0.19 1.13 0.12 0.00 -0.60 0.00 0.00 54.58 55.42 2qkm n ASN 70 Cb 0.50 -1.40 0.27 0.00 -0.53 0.00 0.00 39.78 38.62 2qkm n ASN 70 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2qkm n ARG 71 N 2.29 0.20 -0.05 1.20 1.74 0.15 -4.33 116.66 117.86 2qkm n ARG 71 Ca 0.13 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2qkm n ARG 71 Cb 0.30 -1.65 -0.16 0.00 -1.02 0.00 0.00 32.46 29.93 2qkm n ARG 71 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2qkm n ASN 72 N -1.96 0.07 -3.77 0.55 3.02 -1.26 -5.02 115.26 106.90 2qkm n ASN 72 Ca 0.04 0.03 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 2qkm n ASN 72 Cb 0.41 1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 40.94 2qkm n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qkm s SER 73 N -5.07 -0.30 0.00 6.41 1.04 -1.26 -5.02 113.70 109.50 2qkm s SER 73 Ca -0.08 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2qkm s SER 73 Cb 0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2qkm s SER 73 CO 0.86 -1.23 0.49 -2.65 0.98 0.00 0.00 173.24 171.69 2qkm n PRO 74 N -0.44 0.74 -3.23 4.02 -0.02 -1.26 -4.57 135.00 130.23 2qkm n PRO 74 Ca -0.06 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 60.95 2qkm n PRO 74 Cb 0.60 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.81 2qkm n PRO 74 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qkm s GLU 75 N -1.33 3.57 0.62 -0.52 2.12 -1.26 -5.00 118.70 116.91 2qkm s GLU 75 Ca 0.00 -2.26 -0.09 0.00 0.36 0.00 0.00 54.97 52.98 2qkm s GLU 75 Cb 0.00 -4.53 -0.01 0.00 0.26 0.00 0.00 34.13 29.85 2qkm s GLU 75 CO 0.00 -1.40 0.98 -0.80 -0.54 0.00 0.00 175.26 173.49 2qkm s ASN 76 N 2.56 5.78 -0.02 -1.70 0.01 -1.26 -4.72 114.94 115.59 2qkm s ASN 76 Ca 0.21 1.04 0.04 0.00 -0.71 0.00 0.00 52.86 53.44 2qkm s ASN 76 Cb -0.10 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 2qkm s ASN 76 CO -0.08 -1.04 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.11 2qkm s LEU 77 N -5.12 2.81 -0.20 0.60 2.96 -1.15 -5.01 118.68 113.57 2qkm s LEU 77 Ca 0.55 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 2qkm s LEU 77 Cb -0.11 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.07 2qkm s LEU 77 CO 0.49 0.31 0.27 -0.47 -1.32 0.00 0.00 176.35 175.64 2qkm s TYR 78 N -0.83 -0.44 0.03 5.38 5.04 -1.26 -1.93 117.35 123.35 2qkm s TYR 78 Ca 0.13 0.54 0.05 0.00 -2.44 0.00 0.00 57.07 55.35 2qkm s TYR 78 Cb -0.11 -0.20 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 2qkm s TYR 78 CO 0.03 -0.57 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.01 2qkm s LEU 79 N 2.40 2.16 0.15 6.97 1.43 -1.07 -5.00 118.68 125.72 2qkm s LEU 79 Ca 0.07 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2qkm s LEU 79 Cb -0.15 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 2qkm s LEU 79 CO -0.12 0.05 0.54 -0.36 0.23 0.00 0.00 176.35 176.69 2qkm s PHE 80 N -0.79 3.59 -0.47 0.29 0.08 -1.26 -1.84 117.98 117.58 2qkm s PHE 80 Ca 0.02 1.03 -0.09 0.00 0.12 0.00 0.00 56.93 58.01 2qkm s PHE 80 Cb -0.08 -2.35 0.12 0.00 -0.57 0.00 0.00 43.02 40.14 2qkm s PHE 80 CO 0.01 0.42 0.34 0.42 -0.10 0.00 0.00 175.22 176.31 2qkm s ILE 81 N -1.49 4.19 0.09 0.64 1.01 -0.92 -4.78 121.20 119.95 2qkm s ILE 81 Ca 0.38 -1.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 2qkm s ILE 81 Cb -0.15 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 2qkm s ILE 81 CO 0.19 -0.75 1.36 0.78 0.00 0.00 0.00 174.94 176.52 2qkm h ASN 82 N 8.44 0.75 -3.89 3.58 -0.26 -1.91 -3.42 115.58 118.87 2qkm h ASN 82 Ca -0.21 -0.53 -0.21 0.00 -0.56 0.00 0.00 56.30 54.79 2qkm h ASN 82 Cb 1.07 -0.22 -0.27 0.00 -1.06 0.00 0.00 38.32 37.85 2qkm h ASN 82 CO 0.85 1.14 -0.65 -1.00 -1.06 0.00 0.00 177.43 176.71 2qkm s HIS 83 N -4.13 -0.03 0.36 1.19 3.76 -1.26 -5.04 115.29 110.13 2qkm s HIS 83 Ca -0.12 0.09 0.17 0.00 -0.15 0.00 0.00 55.06 55.05 2qkm s HIS 83 Cb 0.08 0.00 1.13 0.00 1.11 0.00 0.00 32.58 34.90 2qkm s HIS 83 CO 0.84 -0.05 1.68 -1.35 -0.85 0.00 0.00 174.74 175.01 2qkm h PRO 84 N 5.88 0.31 0.00 8.40 0.11 -1.89 0.16 132.00 144.98 2qkm h PRO 84 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qkm h PRO 84 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qkm h PRO 84 CO 0.47 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2qkm n SER 85 N -4.91 0.00 -0.43 -2.05 3.41 -1.26 -2.87 113.62 105.51 2qkm n SER 85 Ca 0.31 -0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.89 2qkm n SER 85 Cb 1.02 -0.16 0.29 0.00 -0.26 0.00 0.00 64.21 65.10 2qkm n SER 85 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qkm n ASN 86 N -1.16 1.28 -4.00 4.04 3.02 0.55 -4.88 115.26 114.12 2qkm n ASN 86 Ca 0.07 -1.79 -0.14 0.00 -0.03 0.00 0.00 54.58 52.69 2qkm n ASN 86 Cb 0.07 -0.12 -0.13 0.00 -0.61 0.00 0.00 39.78 38.99 2qkm n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qkm s VAL 87 N -1.76 0.40 -0.02 2.41 1.01 -1.14 -0.57 120.40 120.73 2qkm s VAL 87 Ca 0.25 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2qkm s VAL 87 Cb 0.13 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2qkm s VAL 87 CO 0.19 -0.17 0.40 -1.00 0.00 0.00 0.00 175.10 174.53 2qkm s HIS 88 N -0.78 -0.30 -0.45 5.22 3.76 -0.33 -4.95 115.29 117.47 2qkm s HIS 88 Ca -0.05 0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 55.17 2qkm s HIS 88 Cb -0.06 0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.87 2qkm s HIS 88 CO -0.00 -0.46 0.35 -0.51 -0.85 0.00 0.00 174.74 173.27 2qkm s LEU 89 N -1.36 5.41 0.02 0.89 1.43 -1.26 0.19 118.68 124.00 2qkm s LEU 89 Ca -0.12 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 51.80 2qkm s LEU 89 Cb -0.04 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2qkm s LEU 89 CO 0.05 -0.58 -0.17 -0.69 0.23 0.00 0.00 176.35 175.19 2qkm s VAL 90 N 1.62 1.39 -0.94 -1.59 1.01 -1.01 -4.88 120.40 116.00 2qkm s VAL 90 Ca 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2qkm s VAL 90 Cb -0.23 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2qkm s VAL 90 CO 0.07 0.21 0.11 0.47 0.00 0.00 0.00 175.10 175.96 2qkm n ASP 91 N 2.16 -3.38 0.00 3.32 10.43 -1.26 0.65 116.55 128.46 2qkm n ASP 91 Ca -0.16 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.31 2qkm n ASP 91 Cb 0.54 -2.88 0.00 0.00 1.84 0.00 0.00 41.12 40.62 2qkm n ASP 91 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qkm n ARG 92 N -2.96 -0.70 -3.79 -1.24 5.12 -1.26 -5.02 116.66 106.80 2qkm n ARG 92 Ca -0.09 0.18 -0.31 0.00 -1.93 0.00 0.00 57.85 55.69 2qkm n ARG 92 Cb 0.58 -3.75 -0.04 0.00 -1.16 0.00 0.00 32.46 28.08 2qkm n ARG 92 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2qkm s TYR 93 N -1.76 3.50 -0.43 -1.55 2.02 0.21 -4.61 117.35 114.72 2qkm s TYR 93 Ca 0.00 0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.96 2qkm s TYR 93 Cb 0.00 -1.89 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2qkm s TYR 93 CO 0.00 0.51 0.34 -1.17 -1.57 0.00 0.00 175.55 173.66 2qkm s LEU 94 N -2.56 5.19 -0.12 -1.29 2.96 -0.65 -2.40 118.68 119.81 2qkm s LEU 94 Ca 0.38 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 2qkm s LEU 94 Cb -0.13 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 2qkm s LEU 94 CO 0.26 -0.51 0.33 -0.63 -1.32 0.00 0.00 176.35 174.48 2qkm s ILE 95 N 1.74 5.25 -0.11 6.68 1.09 0.13 -1.97 121.20 134.01 2qkm s ILE 95 Ca 0.06 0.64 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 2qkm s ILE 95 Cb -0.20 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.57 2qkm s ILE 95 CO 0.10 0.44 -0.09 -2.28 -0.10 0.00 0.00 174.94 173.01 2qkm s HIS 96 N 0.03 1.51 -0.60 3.97 2.46 -0.63 -1.18 115.29 120.85 2qkm s HIS 96 Ca 0.19 -0.73 -0.20 0.00 0.47 0.00 0.00 55.06 54.79 2qkm s HIS 96 Cb -0.14 -1.22 0.09 0.00 -0.13 0.00 0.00 32.58 31.18 2qkm s HIS 96 CO 0.07 -0.48 0.78 1.03 -2.47 0.00 0.00 174.74 173.68 2qkm s ARG 97 N 1.49 3.08 0.90 2.88 0.52 0.26 -1.20 118.95 126.89 2qkm s ARG 97 Ca 0.01 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 2qkm s ARG 97 Cb -0.13 -4.23 0.13 0.00 0.52 0.00 0.00 34.95 31.24 2qkm s ARG 97 CO -0.06 -1.59 1.10 0.99 0.02 0.00 0.00 175.30 175.75 2qkm s THR 98 N 3.15 2.60 0.20 0.02 2.01 -0.64 -4.88 115.64 118.11 2qkm s THR 98 Ca 0.16 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 2qkm s THR 98 Cb -0.21 -2.51 0.13 0.00 0.01 0.00 0.00 72.50 69.92 2qkm s THR 98 CO 0.08 -0.25 1.77 -0.08 -0.69 0.00 0.00 174.62 175.45 2qkm h GLU 99 N -1.66 0.49 -0.80 4.92 4.57 -1.90 -0.91 114.58 119.29 2qkm h GLU 99 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2qkm h GLU 99 Cb 1.27 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2qkm h GLU 99 CO 0.50 0.32 0.00 0.09 -1.18 0.00 0.00 179.01 178.74 2qkm n ASN 100 N -4.91 0.91 -3.44 1.04 5.03 -1.26 -4.82 115.26 107.81 2qkm n ASN 100 Ca 0.08 -1.25 -0.21 0.00 0.87 0.00 0.00 54.58 54.07 2qkm n ASN 100 Cb 0.22 -0.31 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 2qkm n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qkm n GLN 101 N 0.30 -2.09 -2.83 3.52 10.64 -0.34 -4.95 117.38 121.63 2qkm n GLN 101 Ca 0.00 0.12 -0.31 0.00 -1.83 0.00 0.00 57.00 54.98 2qkm n GLN 101 Cb 0.19 -4.68 -0.04 0.00 -0.86 0.00 0.00 30.24 24.85 2qkm n GLN 101 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2qkm s HIS 102 N -2.63 3.42 -0.34 2.61 3.76 -1.26 -4.87 115.29 115.98 2qkm s HIS 102 Ca 0.39 1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 56.43 2qkm s HIS 102 Cb -0.23 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.88 2qkm s HIS 102 CO 0.48 -0.11 0.19 0.08 -0.85 0.00 0.00 174.74 174.53 2qkm s VAL 103 N -2.31 4.76 -0.06 -0.90 1.01 -1.26 -1.61 120.40 120.02 2qkm s VAL 103 Ca 0.55 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2qkm s VAL 103 Cb -0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2qkm s VAL 103 CO 0.26 -0.05 0.16 -0.69 0.00 0.00 0.00 175.10 174.78 2qkm s VAL 104 N 1.62 5.46 -0.20 2.92 1.01 -0.34 -3.05 120.40 127.83 2qkm s VAL 104 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2qkm s VAL 104 Cb -0.18 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2qkm s VAL 104 CO 0.07 0.47 -0.18 -0.83 0.00 0.00 0.00 175.10 174.64 2qkm s GLY 105 N -1.49 1.43 -0.25 4.51 0.00 0.17 -1.60 107.32 110.08 2qkm s GLY 105 Ca 0.21 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 2qkm s GLY 105 CO 0.11 0.37 0.15 1.08 0.00 0.00 0.00 173.10 174.82 2qkm s LEU 106 N 1.26 3.93 -0.44 0.66 1.43 -0.83 -0.20 118.68 124.49 2qkm s LEU 106 Ca 0.02 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2qkm s LEU 106 Cb -0.15 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.12 2qkm s LEU 106 CO -0.11 0.01 0.27 0.86 0.23 0.00 0.00 176.35 177.61 2qkm s TRP 107 N 1.40 3.47 -0.30 0.29 -0.00 -0.25 -1.64 118.94 121.90 2qkm s TRP 107 Ca 0.07 -2.03 -0.29 0.00 -0.00 0.00 0.00 56.10 53.84 2qkm s TRP 107 Cb -0.15 -3.28 -0.01 0.00 -0.00 0.00 0.00 33.47 30.03 2qkm s TRP 107 CO 0.07 -0.96 1.48 -1.64 -0.00 0.00 0.00 176.95 175.89 2qkm s MET 108 N 1.28 3.74 0.43 5.86 -1.94 -1.26 -1.60 119.30 125.81 2qkm s MET 108 Ca 0.06 1.32 0.14 0.00 -1.71 0.00 0.00 55.69 55.50 2qkm s MET 108 Cb -0.24 -4.00 1.02 0.00 2.01 0.00 0.00 34.83 33.62 2qkm s MET 108 CO -0.02 -1.36 1.97 0.74 -0.01 0.00 0.00 175.02 176.35 2qkm h PHE 109 N 10.45 0.45 -3.58 -0.03 -1.00 -1.85 -3.35 116.94 118.02 2qkm h PHE 109 Ca -0.30 0.01 -0.64 0.00 2.81 0.00 0.00 57.97 59.86 2qkm h PHE 109 Cb 1.12 -0.14 -0.14 0.00 3.61 0.00 0.00 35.95 40.40 2qkm h PHE 109 CO 0.92 0.21 0.08 0.34 -1.61 0.00 0.00 178.31 178.25 2qkm s ASP 110 N -6.22 6.38 0.43 2.17 -1.08 -1.26 -4.94 116.67 112.15 2qkm s ASP 110 Ca -0.08 0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.16 2qkm s ASP 110 Cb 0.20 -2.31 1.03 0.00 -1.46 0.00 0.00 42.92 40.38 2qkm s ASP 110 CO 0.75 -0.57 1.95 -0.65 0.52 0.00 0.00 175.17 177.17 2qkm h PRO 111 N 8.48 0.41 -0.58 4.34 0.11 -2.00 -1.49 132.00 141.28 2qkm h PRO 111 Ca -0.27 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2qkm h PRO 111 Cb 1.11 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2qkm h PRO 111 CO 0.82 0.27 0.29 -0.91 -0.21 0.00 0.00 178.00 178.26 2qkm h ASN 112 N 0.43 0.75 -0.46 -2.05 2.35 -1.92 -1.77 115.58 112.90 2qkm h ASN 112 Ca 0.33 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2qkm h ASN 112 Cb 0.69 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.82 2qkm h ASN 112 CO -0.10 0.66 0.16 0.44 -1.65 0.00 0.00 177.43 176.94 2qkm h ASP 113 N 0.79 0.17 -0.19 5.81 3.45 -1.66 -1.59 116.42 123.20 2qkm h ASP 113 Ca 0.20 0.05 0.03 0.00 0.43 0.00 0.00 57.03 57.75 2qkm h ASP 113 Cb 0.10 0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 38.84 2qkm h ASP 113 CO -0.03 0.13 -0.54 -0.03 -1.57 0.00 0.00 179.24 177.20 2qkm h MET 114 N 0.34 -0.52 -0.58 3.56 4.05 -1.08 -0.40 114.93 120.29 2qkm h MET 114 Ca 0.22 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 2qkm h MET 114 Cb 0.22 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2qkm h MET 114 CO -0.22 -0.35 0.39 0.77 0.23 0.00 0.00 176.91 177.73 2qkm h SER 115 N -0.54 0.67 -0.56 1.39 0.02 -1.30 -2.16 113.55 111.08 2qkm h SER 115 Ca 0.04 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2qkm h SER 115 Cb 0.65 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2qkm h SER 115 CO -0.46 0.49 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.61 2qkm h ARG 116 N 0.79 1.02 0.19 3.45 2.43 -0.73 -1.69 114.38 119.84 2qkm h ARG 116 Ca 0.21 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2qkm h ARG 116 Cb -0.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2qkm h ARG 116 CO -0.05 1.01 -0.09 0.82 -1.51 0.00 0.00 179.97 180.15 2qkm h ILE 117 N 0.93 0.76 -0.91 1.20 1.08 -1.03 -1.73 117.51 117.81 2qkm h ILE 117 Ca 0.16 -1.03 0.12 0.00 -0.39 0.00 0.00 64.86 63.73 2qkm h ILE 117 Cb 0.57 1.26 -0.14 0.00 -3.07 0.00 0.00 36.82 35.44 2qkm h ILE 117 CO 0.03 0.19 -0.45 0.15 -0.69 0.00 0.00 178.15 177.39 2qkm h PHE 118 N -0.87 -1.32 -0.20 1.37 3.57 -1.37 0.32 116.94 118.44 2qkm h PHE 118 Ca -0.03 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2qkm h PHE 118 Cb 0.51 0.71 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2qkm h PHE 118 CO 0.07 -0.40 0.13 -0.91 -2.23 0.00 0.00 178.31 174.97 2qkm h ASN 119 N -0.05 0.22 0.39 0.41 2.35 -1.31 -2.10 115.58 115.49 2qkm h ASN 119 Ca 0.27 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 2qkm h ASN 119 Cb 0.54 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2qkm h ASN 119 CO -0.91 0.16 -0.39 -0.29 -1.65 0.00 0.00 177.43 174.34 2qkm h ILE 120 N 0.26 1.28 0.35 2.81 6.09 -0.30 -1.80 117.51 126.21 2qkm h ILE 120 Ca 0.08 -1.34 -0.01 0.00 -1.37 0.00 0.00 64.86 62.22 2qkm h ILE 120 Cb -0.02 1.72 -0.00 0.00 0.47 0.00 0.00 36.82 38.99 2qkm h ILE 120 CO -0.03 0.38 -0.20 0.58 -3.07 0.00 0.00 178.15 175.82 2qkm h VAL 121 N 0.00 0.59 -0.65 2.19 2.07 0.02 0.29 116.25 120.76 2qkm h VAL 121 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2qkm h VAL 121 Cb 0.69 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2qkm h VAL 121 CO 0.05 0.00 0.31 0.11 0.02 0.00 0.00 177.57 178.06 2qkm h LYS 122 N -0.52 0.53 -0.65 1.57 1.79 -0.95 -1.26 116.57 117.07 2qkm h LYS 122 Ca -0.04 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2qkm h LYS 122 Cb 0.42 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2qkm h LYS 122 CO 0.05 0.35 0.12 0.93 -1.08 0.00 0.00 179.45 179.82 2qkm h GLU 123 N 0.54 1.06 0.00 3.15 5.08 -1.11 -2.46 114.58 120.85 2qkm h GLU 123 Ca 0.32 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2qkm h GLU 123 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2qkm h GLU 123 CO -0.26 0.97 -0.52 0.77 -1.00 0.00 0.00 179.01 178.97 2qkm h SER 124 N 1.00 0.00 -0.72 1.42 0.02 0.32 -2.89 113.55 112.70 2qkm h SER 124 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2qkm h SER 124 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2qkm h SER 124 CO 0.01 0.52 0.00 0.18 -1.14 0.00 0.00 176.83 176.40 2qkm n LEU 125 N -3.47 4.24 0.00 5.07 4.77 -0.55 -4.64 117.00 122.43 2qkm n LEU 125 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 2qkm n LEU 125 Cb 0.63 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2qkm n LEU 125 CO 0.40 0.94 0.00 -0.11 -1.33 0.00 0.00 177.39 177.29 2qkm n LEU 126 N 1.52 0.02 0.00 2.23 7.94 -0.93 -4.72 117.00 123.06 2qkm n LEU 126 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2qkm n LEU 126 Cb 0.71 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.66 2qkm n LEU 126 CO 0.19 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.33