#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 -1.02 2.12 3.07 -2.06 -2.90 114.58 113.79 2qkm h GLU 2 Ca 0.00 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.11 2qkm h GLU 2 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.81 2qkm h GLU 2 CO 0.00 0.52 0.64 0.22 -1.40 0.00 0.00 179.01 178.99 2qkm h ASP 3 N 0.00 0.52 -0.19 1.42 -0.00 -2.06 -0.83 116.42 115.28 2qkm h ASP 3 Ca -0.01 0.09 -0.20 0.00 -0.00 0.00 0.00 57.03 56.92 2qkm h ASP 3 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 2qkm h ASP 3 CO 0.07 0.12 -0.64 -0.08 -0.00 0.00 0.00 179.24 178.71 2qkm h GLU 4 N 0.47 0.80 -0.06 0.28 4.81 -1.96 -3.20 114.58 115.73 2qkm h GLU 4 Ca 0.59 -0.56 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2qkm h GLU 4 Cb 1.36 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2qkm h GLU 4 CO -0.33 1.19 -0.37 -0.91 -0.73 0.00 0.00 179.01 177.86 2qkm h ASN 5 N 0.59 0.12 -0.40 1.04 2.35 -1.22 -1.76 115.58 116.31 2qkm h ASN 5 Ca -0.01 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2qkm h ASN 5 Cb 1.24 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 2qkm h ASN 5 CO 0.13 0.48 0.24 0.40 -1.65 0.00 0.00 177.43 177.03 2qkm h ILE 6 N 0.10 1.13 0.23 2.81 1.08 -1.45 -2.40 117.51 119.02 2qkm h ILE 6 Ca 0.01 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2qkm h ILE 6 Cb 0.70 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 2qkm h ILE 6 CO 0.05 0.13 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.46 2qkm h LEU 7 N 0.52 -0.27 -0.33 1.44 3.38 -1.43 0.18 115.31 118.82 2qkm h LEU 7 Ca 0.14 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2qkm h LEU 7 Cb 0.01 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2qkm h LEU 7 CO -0.03 -0.17 -0.35 0.03 0.09 0.00 0.00 178.44 178.01 2qkm h ARG 8 N -0.34 -0.30 -0.78 1.13 3.08 -1.31 -0.33 114.38 115.52 2qkm h ARG 8 Ca -0.03 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qkm h ARG 8 Cb 0.26 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2qkm h ARG 8 CO 0.05 -0.20 0.42 -0.97 -1.07 0.00 0.00 179.97 178.20 2qkm h ASN 9 N -0.32 0.99 -0.48 7.04 -0.73 -1.27 0.38 115.58 121.18 2qkm h ASN 9 Ca 0.14 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.24 2qkm h ASN 9 Cb 0.56 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 2qkm h ASN 9 CO -0.50 0.81 0.26 0.00 -0.37 0.00 0.00 177.43 177.62 2qkm h ALA 10 N 1.22 0.61 0.19 1.57 0.00 0.10 0.06 119.26 123.02 2qkm h ALA 10 Ca 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2qkm h ALA 10 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qkm h ALA 10 CO -0.04 -0.08 -0.09 0.28 0.00 0.00 0.00 179.25 179.31 2qkm h VAL 11 N 0.50 0.90 -0.82 0.00 2.07 -0.73 -1.69 116.25 116.48 2qkm h VAL 11 Ca 0.21 -0.81 0.20 0.00 0.82 0.00 0.00 66.70 67.11 2qkm h VAL 11 Cb 0.09 1.36 -0.13 0.00 -1.52 0.00 0.00 31.29 31.09 2qkm h VAL 11 CO -0.13 0.17 0.15 0.78 0.02 0.00 0.00 177.57 178.56 2qkm h ASN 12 N -0.69 -0.12 -0.28 0.57 2.35 -0.07 0.64 115.58 118.00 2qkm h ASN 12 Ca -0.03 0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 2qkm h ASN 12 Cb 0.48 0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2qkm h ASN 12 CO 0.04 -0.14 -0.54 0.25 -1.65 0.00 0.00 177.43 175.39 2qkm h LEU 13 N 0.18 0.97 -0.69 1.61 5.85 -1.03 -1.82 115.31 120.38 2qkm h LEU 13 Ca 0.48 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2qkm h LEU 13 Cb 0.92 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2qkm h LEU 13 CO -0.64 1.32 0.43 -0.61 -0.34 0.00 0.00 178.44 178.60 2qkm h GLN 14 N 0.67 0.81 -0.31 1.25 -0.00 -0.01 -1.95 115.11 115.57 2qkm h GLN 14 Ca 0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2qkm h GLN 14 Cb 1.15 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.43 2qkm h GLN 14 CO 0.12 0.54 0.13 0.28 0.00 0.00 0.00 178.83 179.90 2qkm h VAL 15 N 0.84 1.18 -0.33 2.39 2.07 -0.87 -2.79 116.25 118.74 2qkm h VAL 15 Ca 0.28 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qkm h VAL 15 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2qkm h VAL 15 CO -0.11 0.19 0.19 -0.07 0.02 0.00 0.00 177.57 177.78 2qkm h LEU 16 N 0.36 0.40 -1.25 2.57 3.38 -0.94 -2.15 115.31 117.68 2qkm h LEU 16 Ca 0.10 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2qkm h LEU 16 Cb 0.18 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2qkm h LEU 16 CO -0.01 0.36 0.55 0.11 0.09 0.00 0.00 178.44 179.55 2qkm h LYS 17 N 0.41 0.81 -0.48 1.13 1.57 -1.40 0.26 116.57 118.87 2qkm h LYS 17 Ca 0.12 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2qkm h LYS 17 Cb 0.04 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 2qkm h LYS 17 CO -0.02 0.54 0.24 0.35 -0.57 0.00 0.00 179.45 179.98 2qkm h PHE 18 N 0.84 0.43 0.02 -1.35 3.57 -1.10 -0.54 116.94 118.80 2qkm h PHE 18 Ca 0.39 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.69 2qkm h PHE 18 Cb 0.40 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2qkm h PHE 18 CO -0.00 0.21 -1.11 0.45 -2.23 0.00 0.00 178.31 175.63 2qkm h HIS 19 N 0.46 0.06 -2.36 0.41 3.86 -1.26 -3.42 115.15 112.90 2qkm h HIS 19 Ca 0.21 -0.04 -0.51 0.00 -1.16 0.00 0.00 60.37 58.87 2qkm h HIS 19 Cb 0.13 -0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.24 2qkm h HIS 19 CO -0.11 1.04 -0.79 0.71 0.86 0.00 0.00 177.93 179.64 2qkm s TYR 20 N -2.69 0.36 0.64 2.45 1.51 0.87 -5.04 117.35 115.45 2qkm s TYR 20 Ca -0.00 -1.35 0.34 0.00 -1.01 0.00 0.00 57.07 55.05 2qkm s TYR 20 Cb 0.09 -0.73 1.86 0.00 -0.11 0.00 0.00 41.96 43.08 2qkm s TYR 20 CO 0.83 -0.88 2.09 -1.35 -1.11 0.00 0.00 175.55 175.13 2qkm h PRO 21 N 7.02 0.00 0.00 -1.71 0.11 -1.33 -3.29 132.00 132.79 2qkm h PRO 21 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2qkm h PRO 21 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2qkm h PRO 21 CO 0.24 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 2qkm n GLU 22 N -3.20 0.00 0.00 1.05 1.02 -1.26 -4.64 120.64 113.60 2qkm n GLU 22 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2qkm n GLU 22 Cb 0.29 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2qkm n GLU 22 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2qkm n ILE 23 N -0.46 0.00 0.00 -3.67 -5.35 -1.24 -4.41 119.36 104.22 2qkm n ILE 23 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2qkm n ILE 23 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2qkm n ILE 23 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2qkm n GLU 24 N 0.00 0.00 -3.73 6.28 0.00 -1.26 -3.14 120.64 118.79 2qkm n GLU 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 2qkm n GLU 24 Cb 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 31.44 29.53 2qkm n GLU 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2qkm s SER 25 N -2.73 -0.39 -0.21 4.31 0.15 -1.07 -5.04 113.70 108.72 2qkm s SER 25 Ca 0.00 0.73 -0.07 0.00 0.70 0.00 0.00 55.95 57.31 2qkm s SER 25 Cb 0.00 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2qkm s SER 25 CO 0.00 -0.15 0.07 -0.63 1.20 0.00 0.00 173.24 173.73 2qkm s ILE 26 N 0.70 4.61 -0.22 6.45 1.01 -1.26 -1.15 121.20 131.34 2qkm s ILE 26 Ca -0.04 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 2qkm s ILE 26 Cb -0.05 -3.11 -0.15 0.00 0.01 0.00 0.00 42.46 39.16 2qkm s ILE 26 CO -0.05 0.41 0.01 -0.38 0.00 0.00 0.00 174.94 174.93 2qkm n ILE 27 N 4.05 1.52 -3.43 2.92 5.41 0.86 -4.95 119.36 125.74 2qkm n ILE 27 Ca -0.16 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.38 2qkm n ILE 27 Cb 0.52 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.38 2qkm n ILE 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2qkm s ASP 28 N -6.87 -0.57 -0.06 4.38 2.15 -1.15 -5.02 116.67 109.54 2qkm s ASP 28 Ca -0.30 0.03 0.03 0.00 0.43 0.00 0.00 52.55 52.74 2qkm s ASP 28 Cb 0.08 0.59 0.01 0.00 -0.30 0.00 0.00 42.92 43.29 2qkm s ASP 28 CO 0.52 -0.94 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.82 2qkm s ILE 29 N -3.61 1.20 -0.31 4.11 1.01 -1.26 -0.53 121.20 121.81 2qkm s ILE 29 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2qkm s ILE 29 Cb -0.01 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2qkm s ILE 29 CO -0.12 0.36 0.11 0.00 0.00 0.00 0.00 174.94 175.29 2qkm s ALA 30 N 0.48 3.12 0.36 9.38 0.00 0.17 -4.97 121.76 130.30 2qkm s ALA 30 Ca -0.12 -1.50 0.15 0.00 0.00 0.00 0.00 51.96 50.50 2qkm s ALA 30 Cb -0.14 -2.24 1.06 0.00 0.00 0.00 0.00 23.12 21.80 2qkm s ALA 30 CO 0.03 -1.01 1.70 0.66 0.00 0.00 0.00 175.76 177.15 2qkm h SER 31 N 8.27 0.52 -1.53 0.00 4.64 -1.91 0.19 113.55 123.74 2qkm h SER 31 Ca -0.30 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 2qkm h SER 31 Cb 1.12 0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 63.04 2qkm h SER 31 CO 0.61 -0.01 -0.35 -2.28 -0.87 0.00 0.00 176.83 173.93 2qkm s HIS 32 N -5.62 -1.22 -0.01 4.77 2.46 -1.26 -3.66 115.29 110.75 2qkm s HIS 32 Ca -0.10 1.40 0.07 0.00 0.47 0.00 0.00 55.06 56.89 2qkm s HIS 32 Cb 0.28 0.35 -0.02 0.00 -0.13 0.00 0.00 32.58 33.06 2qkm s HIS 32 CO 0.80 -0.77 -0.21 0.08 -2.47 0.00 0.00 174.74 172.16 2qkm s VAL 33 N 2.72 1.66 -0.09 0.89 1.01 0.14 -0.82 120.40 125.91 2qkm s VAL 33 Ca 0.14 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2qkm s VAL 33 Cb -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2qkm s VAL 33 CO -0.18 0.42 0.01 0.00 0.00 0.00 0.00 175.10 175.36 2qkm s ALA 34 N -0.54 3.33 -0.18 5.51 0.00 -0.63 -1.34 121.76 127.92 2qkm s ALA 34 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2qkm s ALA 34 Cb -0.08 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 2qkm s ALA 34 CO -0.00 0.57 0.13 0.08 0.00 0.00 0.00 175.76 176.54 2qkm s VAL 35 N -0.83 5.40 0.34 0.00 1.01 -0.94 -1.01 120.40 124.37 2qkm s VAL 35 Ca 0.13 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.38 2qkm s VAL 35 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2qkm s VAL 35 CO 0.02 0.49 0.07 -0.31 0.00 0.00 0.00 175.10 175.38 2qkm s TYR 36 N 0.00 2.62 -0.09 5.22 1.51 0.93 -2.41 117.35 125.14 2qkm s TYR 36 Ca 0.10 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.66 2qkm s TYR 36 Cb -0.11 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2qkm s TYR 36 CO -0.00 0.40 0.23 -1.14 -1.11 0.00 0.00 175.55 173.93 2qkm s GLN 37 N -3.78 0.24 -0.21 -0.62 0.74 -0.62 -1.15 119.66 114.26 2qkm s GLN 37 Ca 0.36 0.38 -0.16 0.00 0.05 0.00 0.00 55.36 55.99 2qkm s GLN 37 Cb -0.01 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 2qkm s GLN 37 CO 0.21 -0.07 0.43 0.12 -0.55 0.00 0.00 175.29 175.42 2qkm s PHE 38 N 0.49 3.35 0.11 1.67 5.36 -1.07 0.59 117.98 128.49 2qkm s PHE 38 Ca -0.03 0.63 -0.18 0.00 -0.96 0.00 0.00 56.93 56.39 2qkm s PHE 38 Cb -0.04 -2.57 -0.07 0.00 -0.34 0.00 0.00 43.02 39.99 2qkm s PHE 38 CO -0.02 -0.07 0.58 0.34 -1.46 0.00 0.00 175.22 174.59 2qkm s ASP 39 N 1.15 6.99 -0.02 6.13 2.15 0.19 -4.60 116.67 128.66 2qkm s ASP 39 Ca 0.20 1.23 -0.18 0.00 0.43 0.00 0.00 52.55 54.22 2qkm s ASP 39 Cb -0.15 -2.35 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 2qkm s ASP 39 CO 0.09 0.19 0.78 1.62 -0.17 0.00 0.00 175.17 177.68 2qkm h VAL 40 N 3.21 0.00 -1.44 1.11 3.04 -1.97 -3.30 116.25 116.89 2qkm h VAL 40 Ca -0.49 -0.48 -0.50 0.00 -1.01 0.00 0.00 66.70 64.22 2qkm h VAL 40 Cb 1.20 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2qkm h VAL 40 CO 0.64 0.00 1.61 0.61 -1.01 0.00 0.00 177.57 179.43 2qkm n GLY 41 N 0.06 0.26 1.41 3.17 0.00 -1.26 -3.96 105.19 104.87 2qkm n GLY 41 Ca -0.08 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2qkm n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qkm n SER 42 N 14.20 -7.06 -3.49 1.61 2.88 -1.26 -4.75 113.62 115.75 2qkm n SER 42 Ca 0.40 0.94 -0.37 0.00 -1.33 0.00 0.00 58.87 58.51 2qkm n SER 42 Cb 0.45 -3.45 -0.03 0.00 -0.75 0.00 0.00 64.21 60.43 2qkm n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qkm n GLN 43 N 0.64 2.46 -4.71 -1.46 1.13 -1.25 -4.40 117.38 109.79 2qkm n GLN 43 Ca 0.00 -2.05 -0.23 0.00 -1.94 0.00 0.00 57.00 52.78 2qkm n GLN 43 Cb 0.00 -2.90 -0.15 0.00 0.11 0.00 0.00 30.24 27.30 2qkm n GLN 43 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qkm s LYS 44 N 3.56 1.31 -0.04 -1.09 1.02 -1.24 -4.96 119.74 118.29 2qkm s LYS 44 Ca 0.53 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 2qkm s LYS 44 Cb 0.14 -1.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 2qkm s LYS 44 CO -0.01 0.30 1.21 -1.58 -0.92 0.00 0.00 175.35 174.35 2qkm s TRP 45 N -0.26 3.19 -0.03 3.18 0.52 -1.26 -0.64 118.94 123.64 2qkm s TRP 45 Ca 0.04 1.20 0.07 0.00 0.02 0.00 0.00 56.10 57.43 2qkm s TRP 45 Cb -0.07 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.80 2qkm s TRP 45 CO -0.00 -1.36 -0.25 -0.51 0.02 0.00 0.00 176.95 174.85 2qkm s LEU 46 N 2.12 2.11 0.02 2.99 1.43 0.20 -4.96 118.68 122.60 2qkm s LEU 46 Ca 0.56 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2qkm s LEU 46 Cb -0.25 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2qkm s LEU 46 CO 0.23 0.30 1.17 -0.75 0.23 0.00 0.00 176.35 177.53 2qkm s LYS 47 N -0.51 4.43 0.58 1.70 2.47 -1.26 -1.58 119.74 125.57 2qkm s LYS 47 Ca 0.07 1.70 -0.05 0.00 -1.56 0.00 0.00 55.97 56.13 2qkm s LYS 47 Cb -0.11 -3.42 0.01 0.00 -1.46 0.00 0.00 37.83 32.86 2qkm s LYS 47 CO 0.00 -0.28 0.87 0.99 0.16 0.00 0.00 175.35 177.10 2qkm s THR 48 N 1.35 3.47 -2.54 3.43 2.01 -1.01 -4.95 115.64 117.40 2qkm s THR 48 Ca 0.57 -0.15 0.23 0.00 0.31 0.00 0.00 61.69 62.65 2qkm s THR 48 Cb -0.27 -3.37 0.40 0.00 0.01 0.00 0.00 72.50 69.27 2qkm s THR 48 CO 0.27 -0.36 1.44 -1.54 -0.69 0.00 0.00 174.62 173.75 2qkm n SER 49 N -2.53 2.72 -4.71 3.53 3.41 -1.26 -4.81 113.62 109.97 2qkm n SER 49 Ca 0.05 -1.88 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 2qkm n SER 49 Cb 0.58 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 2qkm n SER 49 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qkm s ILE 50 N -1.72 4.94 -0.29 -1.33 1.01 -1.26 -4.54 121.20 118.00 2qkm s ILE 50 Ca 0.35 1.75 -0.14 0.00 0.00 0.00 0.00 60.65 62.61 2qkm s ILE 50 Cb 0.21 -4.18 0.13 0.00 0.01 0.00 0.00 42.46 38.63 2qkm s ILE 50 CO 0.30 0.18 0.82 -0.70 0.00 0.00 0.00 174.94 175.54 2qkm s GLU 51 N 1.10 0.49 0.00 2.79 2.12 -1.26 -2.22 118.70 121.72 2qkm s GLU 51 Ca 0.44 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.81 2qkm s GLU 51 Cb -0.19 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.62 2qkm s GLU 51 CO 0.22 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2qkm n GLY 52 N 4.67 -0.84 3.77 -1.50 0.00 -0.45 -0.65 105.19 110.19 2qkm n GLY 52 Ca -0.15 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.00 3.11 -0.19 2.61 2.01 -1.24 0.28 115.64 119.21 2qkm s THR 53 Ca 0.00 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2qkm s THR 53 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 2qkm s THR 53 CO 0.00 0.10 -0.04 0.12 -0.69 0.00 0.00 174.62 174.11 2qkm s PHE 54 N -1.39 2.98 -0.30 4.92 5.36 0.68 -2.52 117.98 127.70 2qkm s PHE 54 Ca 0.57 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.93 2qkm s PHE 54 Cb -0.31 -2.04 0.07 0.00 -0.34 0.00 0.00 43.02 40.40 2qkm s PHE 54 CO 0.40 -0.32 -0.03 -0.06 -1.46 0.00 0.00 175.22 173.75 2qkm s PHE 55 N 0.99 3.43 -0.16 10.12 0.40 0.26 -0.65 117.98 132.37 2qkm s PHE 55 Ca 0.00 -2.45 -0.29 0.00 -0.60 0.00 0.00 56.93 53.59 2qkm s PHE 55 Cb -0.15 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.06 2qkm s PHE 55 CO 0.01 -0.89 1.16 -1.17 0.70 0.00 0.00 175.22 175.02 2qkm s LEU 56 N 1.07 4.18 0.09 -0.37 2.96 0.31 -0.30 118.68 126.63 2qkm s LEU 56 Ca -0.02 1.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 2qkm s LEU 56 Cb -0.20 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2qkm s LEU 56 CO -0.05 -0.67 -0.14 0.68 -1.32 0.00 0.00 176.35 174.85 2qkm s VAL 57 N 3.00 1.17 0.09 1.68 -7.23 0.99 -0.10 120.40 119.99 2qkm s VAL 57 Ca 0.51 -1.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.30 2qkm s VAL 57 Cb -0.20 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2qkm s VAL 57 CO 0.14 -0.29 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.81 2qkm s LYS 58 N -2.05 2.27 0.00 4.82 2.20 -0.30 -1.11 119.74 125.56 2qkm s LYS 58 Ca 0.01 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2qkm s LYS 58 Cb -0.08 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2qkm s LYS 58 CO 0.02 0.53 0.00 -0.40 -0.36 0.00 0.00 175.35 175.14 2qkm n ASP 59 N 0.82 1.73 -4.72 1.43 5.75 -1.03 -2.61 116.55 117.92 2qkm n ASP 59 Ca -0.13 -0.74 -0.42 0.00 -0.01 0.00 0.00 54.79 53.49 2qkm n ASP 59 Cb 0.52 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 2qkm n ASP 59 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2qkm s GLN 60 N -1.16 4.38 0.00 0.11 -1.52 -1.22 -1.80 119.66 118.44 2qkm s GLN 60 Ca 0.00 1.97 0.00 0.00 -1.95 0.00 0.00 55.36 55.38 2qkm s GLN 60 Cb 0.00 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 2qkm s GLN 60 CO 0.00 -0.33 0.00 0.54 -0.25 0.00 0.00 175.29 175.25 2qkm n ARG 61 N 3.59 0.00 -3.98 2.91 3.00 -1.26 -4.51 116.66 116.41 2qkm n ARG 61 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.61 2qkm n ARG 61 Cb 0.44 -1.93 -0.01 0.00 0.00 0.00 0.00 32.46 30.95 2qkm n ARG 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qkm n ALA 62 N 0.02 -1.21 -1.95 7.54 0.00 -0.75 -4.94 120.51 119.23 2qkm n ALA 62 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2qkm n ALA 62 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 15.89 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 -6.67 4.73 -0.09 0.00 0.52 -1.26 -4.78 118.95 111.40 2qkm s ARG 63 Ca 0.66 1.36 -0.20 0.00 -0.52 0.00 0.00 55.73 57.03 2qkm s ARG 63 Cb -0.35 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2qkm s ARG 63 CO 0.81 0.46 0.56 0.14 0.02 0.00 0.00 175.30 177.29 2qkm s VAL 64 N -0.89 5.11 0.34 3.52 -7.23 -1.26 -2.48 120.40 117.51 2qkm s VAL 64 Ca 0.40 1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 61.68 2qkm s VAL 64 Cb -0.24 -3.90 0.01 0.00 0.56 0.00 0.00 36.38 32.81 2qkm s VAL 64 CO 0.29 0.32 0.48 0.61 -0.31 0.00 0.00 175.10 176.49 2qkm n GLY 65 N 3.09 2.10 2.96 2.32 0.00 -0.27 -0.41 105.19 114.98 2qkm n GLY 65 Ca -0.05 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.00 0.28 -0.10 1.61 -0.85 0.27 -0.01 117.35 115.55 2qkm s TYR 66 Ca 0.27 -0.32 0.03 0.00 -0.52 0.00 0.00 57.07 56.53 2qkm s TYR 66 Cb -0.01 -0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.16 2qkm s TYR 66 CO 0.19 -0.09 -0.17 0.08 -1.52 0.00 0.00 175.55 174.04 2qkm s VAL 67 N -0.86 1.60 -0.31 -3.49 1.01 0.59 -1.78 120.40 117.16 2qkm s VAL 67 Ca -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2qkm s VAL 67 Cb -0.06 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.93 2qkm s VAL 67 CO -0.00 0.46 0.04 -0.63 0.00 0.00 0.00 175.10 174.97 2qkm s ILE 68 N 0.71 3.36 -0.82 2.22 1.01 0.09 0.93 121.20 128.69 2qkm s ILE 68 Ca -0.12 -1.20 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 2qkm s ILE 68 Cb -0.16 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.46 2qkm s ILE 68 CO 0.03 -0.09 1.36 -0.76 0.00 0.00 0.00 174.94 175.47 2qkm s LEU 69 N 1.34 3.27 0.27 2.97 1.43 -1.05 -2.43 118.68 124.47 2qkm s LEU 69 Ca -0.03 -0.73 -0.31 0.00 -1.03 0.00 0.00 54.13 52.03 2qkm s LEU 69 Cb -0.19 -2.56 -0.12 0.00 0.03 0.00 0.00 46.19 43.34 2qkm s LEU 69 CO 0.00 -1.77 1.57 -3.20 0.23 0.00 0.00 176.35 173.19 2qkm n ASN 70 N 9.39 3.61 0.02 2.29 5.15 -1.26 -4.13 115.26 130.33 2qkm n ASN 70 Ca 0.13 1.13 -0.00 0.00 -0.60 0.00 0.00 54.58 55.24 2qkm n ASN 70 Cb 0.50 -1.55 -0.09 0.00 -0.53 0.00 0.00 39.78 38.11 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 2.42 0.63 0.09 1.20 1.74 0.17 -4.30 116.66 118.61 2qkm n ARG 71 Ca 0.11 0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 57.31 2qkm n ARG 71 Cb 0.35 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.00 2qkm n ARG 71 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2qkm h ASN 72 N 0.00 0.11 -5.06 0.55 4.21 -1.80 -3.48 115.58 110.12 2qkm h ASN 72 Ca -0.18 -0.10 0.03 0.00 1.21 0.00 0.00 56.30 57.26 2qkm h ASN 72 Cb 1.61 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 38.72 2qkm h ASN 72 CO 0.04 0.93 0.16 -0.94 -1.29 0.00 0.00 177.43 176.34 2qkm s SER 73 N -6.84 -0.18 0.00 5.81 1.04 -1.26 -5.05 113.70 107.23 2qkm s SER 73 Ca -0.01 -0.75 0.12 0.00 0.48 0.00 0.00 55.95 55.79 2qkm s SER 73 Cb 0.11 0.71 0.53 0.00 0.10 0.00 0.00 66.02 67.47 2qkm s SER 73 CO 0.81 -1.35 1.37 -0.81 0.98 0.00 0.00 173.24 174.25 2qkm n PRO 74 N -0.45 1.37 -2.91 4.02 -0.04 -1.26 -4.46 135.00 131.26 2qkm n PRO 74 Ca -0.04 -0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 62.43 2qkm n PRO 74 Cb 0.60 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2qkm n PRO 74 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2qkm s GLU 75 N -1.84 3.22 0.87 0.54 2.12 -1.26 -4.94 118.70 117.41 2qkm s GLU 75 Ca 0.20 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 54.85 2qkm s GLU 75 Cb 0.10 -4.11 0.15 0.00 0.26 0.00 0.00 34.13 30.53 2qkm s GLU 75 CO 0.15 -1.52 1.21 -0.80 -0.54 0.00 0.00 175.26 173.76 2qkm s ASN 76 N 3.06 3.76 -0.08 -1.70 0.01 -1.26 -4.59 114.94 114.12 2qkm s ASN 76 Ca 0.25 0.27 0.04 0.00 -0.71 0.00 0.00 52.86 52.70 2qkm s ASN 76 Cb -0.15 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2qkm s ASN 76 CO 0.15 -2.31 -0.20 -0.22 -1.51 0.00 0.00 177.10 173.01 2qkm s LEU 77 N -5.64 1.94 -0.24 0.60 2.96 -1.02 -4.98 118.68 112.30 2qkm s LEU 77 Ca 0.69 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2qkm s LEU 77 Cb -0.06 -1.20 0.09 0.00 0.50 0.00 0.00 46.19 45.52 2qkm s LEU 77 CO 0.50 0.13 0.12 -0.47 -1.32 0.00 0.00 176.35 175.30 2qkm s TYR 78 N 0.39 0.25 -0.02 5.38 6.14 -1.25 -0.73 117.35 127.51 2qkm s TYR 78 Ca -0.16 -0.63 0.07 0.00 0.64 0.00 0.00 57.07 56.99 2qkm s TYR 78 Cb -0.17 -0.80 -0.02 0.00 0.42 0.00 0.00 41.96 41.39 2qkm s TYR 78 CO 0.07 -0.71 -0.23 -0.51 0.64 0.00 0.00 175.55 174.81 2qkm s LEU 79 N 2.12 2.05 0.36 6.97 1.43 -0.74 -4.93 118.68 125.94 2qkm s LEU 79 Ca 0.06 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 2qkm s LEU 79 Cb -0.16 -1.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.80 2qkm s LEU 79 CO -0.26 0.28 0.88 -0.36 0.23 0.00 0.00 176.35 177.12 2qkm s PHE 80 N -0.54 3.47 -0.46 0.29 0.08 -1.26 -0.57 117.98 118.99 2qkm s PHE 80 Ca 0.09 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.59 2qkm s PHE 80 Cb -0.09 -2.78 0.10 0.00 -0.57 0.00 0.00 43.02 39.68 2qkm s PHE 80 CO -0.01 0.07 0.33 0.42 -0.10 0.00 0.00 175.22 175.93 2qkm s ILE 81 N -1.91 4.40 0.28 0.64 1.01 0.45 -4.93 121.20 121.14 2qkm s ILE 81 Ca 0.55 -1.53 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 2qkm s ILE 81 Cb -0.13 -3.78 0.13 0.00 0.01 0.00 0.00 42.46 38.69 2qkm s ILE 81 CO 0.18 -0.65 1.79 0.78 0.00 0.00 0.00 174.94 177.03 2qkm h ASN 82 N 8.50 0.72 -3.67 3.58 -0.26 -1.93 -3.41 115.58 119.11 2qkm h ASN 82 Ca -0.23 -0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.24 2qkm h ASN 82 Cb 1.08 -0.19 -0.25 0.00 -1.06 0.00 0.00 38.32 37.91 2qkm h ASN 82 CO 0.84 0.77 -0.23 -2.28 -1.06 0.00 0.00 177.43 175.47 2qkm s HIS 83 N -5.03 -0.53 0.59 1.19 5.04 -1.26 -5.05 115.29 110.24 2qkm s HIS 83 Ca -0.09 1.23 0.29 0.00 -1.54 0.00 0.00 55.06 54.94 2qkm s HIS 83 Cb 0.15 0.21 1.43 0.00 0.04 0.00 0.00 32.58 34.41 2qkm s HIS 83 CO 0.80 -0.27 1.84 -1.35 -2.34 0.00 0.00 174.74 173.42 2qkm h PRO 84 N 6.01 0.00 0.00 2.88 0.11 -1.86 0.17 132.00 139.31 2qkm h PRO 84 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qkm h PRO 84 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qkm h PRO 84 CO 0.25 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.91 2qkm n SER 85 N -3.72 0.00 0.03 -2.05 3.41 -1.26 -2.87 113.62 107.16 2qkm n SER 85 Ca 0.11 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 2qkm n SER 85 Cb 0.78 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.88 0.63 -4.60 4.04 3.02 0.60 -4.87 115.26 113.20 2qkm n ASN 86 Ca 0.14 -0.14 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 2qkm n ASN 86 Cb 0.07 0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 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 -3.13 3.83 0.09 2.41 1.01 -1.14 -1.54 120.40 121.94 2qkm s VAL 87 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2qkm s VAL 87 Cb 0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2qkm s VAL 87 CO 0.75 0.59 -0.06 -1.00 0.00 0.00 0.00 175.10 175.38 2qkm s HIS 88 N -0.83 0.86 -0.38 5.22 3.76 0.31 -4.98 115.29 119.25 2qkm s HIS 88 Ca 0.13 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 2qkm s HIS 88 Cb -0.11 -0.51 0.12 0.00 1.11 0.00 0.00 32.58 33.19 2qkm s HIS 88 CO 0.02 -0.16 0.16 -1.17 -0.85 0.00 0.00 174.74 172.74 2qkm s LEU 89 N -2.97 3.02 -0.13 0.89 2.96 -1.26 -0.14 118.68 121.05 2qkm s LEU 89 Ca 0.11 -2.22 0.03 0.00 -0.22 0.00 0.00 54.13 51.83 2qkm s LEU 89 Cb 0.05 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.62 2qkm s LEU 89 CO -0.05 -0.34 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.73 2qkm s VAL 90 N 0.86 2.09 -0.41 1.68 1.01 -1.09 -4.88 120.40 119.66 2qkm s VAL 90 Ca 0.14 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2qkm s VAL 90 Cb -0.21 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2qkm s VAL 90 CO -0.10 0.55 0.37 0.47 0.00 0.00 0.00 175.10 176.38 2qkm n ASP 91 N 3.86 -2.94 0.00 3.32 8.00 -1.26 -0.10 116.55 127.42 2qkm n ASP 91 Ca -0.20 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2qkm n ASP 91 Cb 0.52 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 2qkm n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qkm n ARG 92 N -1.19 0.00 -3.08 -1.24 1.74 -1.26 -4.93 116.66 106.70 2qkm n ARG 92 Ca -0.15 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.66 2qkm n ARG 92 Cb 0.41 -4.18 -0.02 0.00 -1.02 0.00 0.00 32.46 27.65 2qkm n ARG 92 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2qkm s TYR 93 N -1.09 3.51 -0.41 -1.55 4.12 0.85 -4.57 117.35 118.21 2qkm s TYR 93 Ca 0.00 0.66 0.01 0.00 0.02 0.00 0.00 57.07 57.76 2qkm s TYR 93 Cb 0.00 -2.15 0.11 0.00 -1.52 0.00 0.00 41.96 38.40 2qkm s TYR 93 CO 0.00 -0.01 0.16 -1.17 0.02 0.00 0.00 175.55 174.55 2qkm s LEU 94 N -4.15 4.97 -0.22 -1.29 2.96 -0.05 -2.66 118.68 118.24 2qkm s LEU 94 Ca 0.45 -2.24 -0.26 0.00 -0.22 0.00 0.00 54.13 51.86 2qkm s LEU 94 Cb -0.10 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 2qkm s LEU 94 CO 0.36 -0.43 0.90 -0.63 -1.32 0.00 0.00 176.35 175.23 2qkm s ILE 95 N 0.82 4.80 -0.15 6.68 1.01 0.80 -0.31 121.20 134.85 2qkm s ILE 95 Ca 0.11 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.52 2qkm s ILE 95 Cb -0.21 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.08 2qkm s ILE 95 CO -0.05 -0.08 -0.21 -2.28 0.00 0.00 0.00 174.94 172.32 2qkm s HIS 96 N 2.75 2.71 -0.27 3.97 5.65 0.24 0.11 115.29 130.46 2qkm s HIS 96 Ca 0.39 -1.43 -0.10 0.00 0.25 0.00 0.00 55.06 54.17 2qkm s HIS 96 Cb -0.16 -1.85 -0.04 0.00 -1.18 0.00 0.00 32.58 29.35 2qkm s HIS 96 CO 0.09 -0.67 0.15 -0.98 -0.65 0.00 0.00 174.74 172.68 2qkm s ARG 97 N 0.97 3.87 0.82 2.88 1.70 -0.59 0.16 118.95 128.76 2qkm s ARG 97 Ca -0.03 -0.36 -0.07 0.00 -0.47 0.00 0.00 55.73 54.80 2qkm s ARG 97 Cb -0.15 -3.55 0.16 0.00 -0.57 0.00 0.00 34.95 30.83 2qkm s ARG 97 CO -0.05 -0.17 1.13 0.99 -1.08 0.00 0.00 175.30 176.11 2qkm s THR 98 N 1.68 2.08 0.16 4.99 2.01 -0.96 -4.87 115.64 120.73 2qkm s THR 98 Ca 0.07 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 2qkm s THR 98 Cb -0.16 -2.72 0.03 0.00 0.01 0.00 0.00 72.50 69.66 2qkm s THR 98 CO 0.09 0.00 1.80 -0.08 -0.69 0.00 0.00 174.62 175.73 2qkm h GLU 99 N -0.97 0.47 -0.01 4.92 4.57 -1.92 -2.86 114.58 118.76 2qkm h GLU 99 Ca -0.40 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2qkm h GLU 99 Cb 1.25 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2qkm h GLU 99 CO 0.39 0.31 0.00 0.09 -1.18 0.00 0.00 179.01 178.62 2qkm n ASN 100 N -4.87 0.01 -1.24 1.04 4.13 -1.26 -4.75 115.26 108.33 2qkm n ASN 100 Ca 0.02 -0.60 -0.16 0.00 1.68 0.00 0.00 54.58 55.52 2qkm n ASN 100 Cb 0.07 -0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.24 2qkm n ASN 100 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qkm n GLN 101 N -0.46 -1.10 -3.22 3.52 6.02 -1.08 -4.99 117.38 116.07 2qkm n GLN 101 Ca 0.00 1.03 -0.41 0.00 -0.01 0.00 0.00 57.00 57.61 2qkm n GLN 101 Cb 0.00 -5.21 -0.08 0.00 1.02 0.00 0.00 30.24 25.98 2qkm n GLN 101 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2qkm s HIS 102 N -2.60 3.18 -0.09 1.08 3.76 -1.26 -4.92 115.29 114.44 2qkm s HIS 102 Ca 0.00 0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.86 2qkm s HIS 102 Cb 0.00 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 2qkm s HIS 102 CO 0.00 -0.55 0.82 0.08 -0.85 0.00 0.00 174.74 174.24 2qkm s VAL 103 N 2.44 4.94 -0.08 -0.90 1.01 -1.26 -2.27 120.40 124.28 2qkm s VAL 103 Ca 0.20 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.89 2qkm s VAL 103 Cb -0.15 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2qkm s VAL 103 CO 0.13 0.15 -0.21 -0.69 0.00 0.00 0.00 175.10 174.48 2qkm s VAL 104 N 1.34 1.82 -0.18 2.92 1.01 0.12 -2.59 120.40 124.85 2qkm s VAL 104 Ca 0.41 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2qkm s VAL 104 Cb -0.18 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2qkm s VAL 104 CO 0.18 0.51 0.06 -0.83 0.00 0.00 0.00 175.10 175.02 2qkm s GLY 105 N 0.27 1.90 -0.30 4.51 0.00 -0.30 0.82 107.32 114.22 2qkm s GLY 105 Ca -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 2qkm s GLY 105 CO 0.06 0.04 0.04 1.08 0.00 0.00 0.00 173.10 174.32 2qkm s LEU 106 N 0.33 3.92 -0.75 0.66 1.43 0.58 -0.05 118.68 124.81 2qkm s LEU 106 Ca 0.03 -1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 2qkm s LEU 106 Cb -0.12 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.46 2qkm s LEU 106 CO 0.00 -0.25 0.84 0.86 0.23 0.00 0.00 176.35 178.03 2qkm s TRP 107 N 1.35 3.22 0.23 0.29 -0.11 -0.18 -0.87 118.94 122.87 2qkm s TRP 107 Ca -0.02 -1.34 -0.31 0.00 1.22 0.00 0.00 56.10 55.66 2qkm s TRP 107 Cb -0.19 -4.05 -0.11 0.00 -1.50 0.00 0.00 33.47 27.63 2qkm s TRP 107 CO 0.00 -1.28 1.54 -1.64 -4.62 0.00 0.00 176.95 170.96 2qkm s MET 108 N 2.07 4.20 0.34 5.86 -1.94 -1.26 -1.60 119.30 126.97 2qkm s MET 108 Ca 0.19 2.42 0.19 0.00 -1.71 0.00 0.00 55.69 56.78 2qkm s MET 108 Cb -0.15 -3.09 0.17 0.00 2.01 0.00 0.00 34.83 33.77 2qkm s MET 108 CO -0.02 -0.56 1.48 0.74 -0.01 0.00 0.00 175.02 176.66 2qkm h PHE 109 N 5.61 0.00 -3.65 -0.03 -1.00 -1.38 -3.42 116.94 113.07 2qkm h PHE 109 Ca -0.45 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.69 2qkm h PHE 109 Cb 1.21 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.59 2qkm h PHE 109 CO 0.61 0.28 -0.56 0.34 -1.61 0.00 0.00 178.31 177.37 2qkm s ASP 110 N -6.30 5.65 0.49 2.17 -1.08 -1.26 -4.98 116.67 111.35 2qkm s ASP 110 Ca 0.05 -0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.23 2qkm s ASP 110 Cb 0.07 -2.02 1.23 0.00 -1.46 0.00 0.00 42.92 40.74 2qkm s ASP 110 CO 0.72 0.01 2.00 -0.65 0.52 0.00 0.00 175.17 177.77 2qkm h PRO 111 N 7.89 0.17 0.00 4.34 0.11 -2.01 -1.99 132.00 140.51 2qkm h PRO 111 Ca -0.37 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 2qkm h PRO 111 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qkm h PRO 111 CO 0.60 0.11 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.52 2qkm h ASN 112 N 0.17 0.00 -0.05 -2.05 2.35 -1.96 -2.91 115.58 111.14 2qkm h ASN 112 Ca 0.25 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.77 2qkm h ASN 112 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.15 2qkm h ASN 112 CO -0.04 0.08 -0.87 0.44 -1.65 0.00 0.00 177.43 175.38 2qkm h ASP 113 N 0.00 0.85 0.46 5.81 3.32 -1.75 -2.56 116.42 122.55 2qkm h ASP 113 Ca -0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 2qkm h ASP 113 Cb 0.97 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 2qkm h ASP 113 CO 0.01 1.44 -0.26 -0.03 -1.72 0.00 0.00 179.24 178.67 2qkm h MET 114 N 0.35 -0.65 -0.20 3.56 4.05 -1.48 0.90 114.93 121.46 2qkm h MET 114 Ca -0.10 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2qkm h MET 114 Cb 1.53 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.47 2qkm h MET 114 CO 0.17 -0.43 0.13 0.66 0.23 0.00 0.00 176.91 177.68 2qkm h SER 115 N -0.67 0.18 0.40 1.39 4.64 -1.66 -0.32 113.55 117.50 2qkm h SER 115 Ca -0.06 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2qkm h SER 115 Cb 0.53 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2qkm h SER 115 CO 0.07 0.12 -0.19 -0.09 -0.87 0.00 0.00 176.83 175.88 2qkm h ARG 116 N 0.21 -0.52 -0.60 4.77 2.43 -1.14 -2.82 114.38 116.71 2qkm h ARG 116 Ca 0.08 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2qkm h ARG 116 Cb 0.06 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2qkm h ARG 116 CO -0.02 -0.24 0.40 0.82 -1.51 0.00 0.00 179.97 179.43 2qkm h ILE 117 N -1.03 0.93 0.18 1.20 2.04 -0.73 -2.20 117.51 117.90 2qkm h ILE 117 Ca -0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2qkm h ILE 117 Cb 0.52 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2qkm h ILE 117 CO 0.09 0.09 -0.09 0.15 0.00 0.00 0.00 178.15 178.39 2qkm h PHE 118 N 0.48 -0.23 -0.71 1.37 3.57 -1.08 -2.30 116.94 118.04 2qkm h PHE 118 Ca 0.27 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.92 2qkm h PHE 118 Cb 0.44 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.15 2qkm h PHE 118 CO -0.00 -0.14 0.09 -0.91 -2.23 0.00 0.00 178.31 175.12 2qkm h ASN 119 N -0.24 -0.15 -0.42 0.41 2.35 -1.13 -1.82 115.58 114.58 2qkm h ASN 119 Ca -0.02 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2qkm h ASN 119 Cb 0.19 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2qkm h ASN 119 CO 0.04 -0.10 0.27 0.40 -1.65 0.00 0.00 177.43 176.39 2qkm h ILE 120 N 0.19 1.12 -1.24 2.81 5.03 -1.26 -1.48 117.51 122.68 2qkm h ILE 120 Ca 0.39 -0.24 -0.68 0.00 -0.12 0.00 0.00 64.86 64.21 2qkm h ILE 120 Cb 0.68 0.53 -0.31 0.00 -3.03 0.00 0.00 36.82 34.69 2qkm h ILE 120 CO -0.56 0.12 0.68 0.52 -0.68 0.00 0.00 178.15 178.23 2qkm n VAL 121 N -4.78 3.46 0.00 1.67 0.31 -0.72 -4.29 118.33 113.98 2qkm n VAL 121 Ca 0.01 -3.48 0.00 0.00 -0.01 0.00 0.00 64.34 60.85 2qkm n VAL 121 Cb 0.03 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2qkm n VAL 121 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qkm n LYS 122 N -0.79 0.00 0.00 5.55 3.00 -1.01 -4.69 118.16 120.22 2qkm n LYS 122 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2qkm n LYS 122 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 2qkm n LYS 122 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qkm n GLU 123 N 0.00 0.00 0.00 1.64 4.71 -0.57 -4.42 120.64 122.01 2qkm n GLU 123 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2qkm n GLU 123 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2qkm n GLU 123 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2qkm n SER 124 N 0.00 0.00 -4.02 1.62 2.88 -1.26 -4.93 113.62 107.90 2qkm n SER 124 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2qkm n SER 124 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2qkm n SER 124 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2qkm s LEU 125 N 0.00 2.24 -0.21 2.46 2.96 -1.26 -5.15 118.68 119.72 2qkm s LEU 125 Ca 0.00 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2qkm s LEU 125 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.58 2qkm s LEU 125 CO 0.00 -0.23 0.10 -0.22 -1.32 0.00 0.00 176.35 174.69 2qkm s LEU 126 N -1.46 3.96 0.00 -0.68 2.96 -1.26 -5.35 118.68 116.85 2qkm s LEU 126 Ca -0.12 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 2qkm s LEU 126 Cb -0.10 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.61 2qkm s LEU 126 CO -0.00 0.13 0.66 -1.14 -1.32 0.00 0.00 176.35 174.68