#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkm n GLU 2 N 0.00 1.50 -0.01 0.03 -0.00 -1.26 -3.60 120.64 117.30 2qkm n GLU 2 Ca 0.00 -0.74 -0.06 0.00 -0.00 0.00 0.00 57.16 56.36 2qkm n GLU 2 Cb 0.00 -1.18 0.14 0.00 -0.00 0.00 0.00 31.44 30.40 2qkm n GLU 2 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2qkm h ASP 3 N 1.19 0.58 -0.61 -1.84 3.32 -2.05 -2.85 116.42 114.15 2qkm h ASP 3 Ca 0.00 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.84 2qkm h ASP 3 Cb 0.30 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2qkm h ASP 3 CO 0.00 0.86 0.41 1.05 -1.72 0.00 0.00 179.24 179.84 2qkm h GLU 4 N 0.48 0.75 -0.24 3.56 4.11 -2.00 -2.39 114.58 118.85 2qkm h GLU 4 Ca 0.06 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.31 2qkm h GLU 4 Cb 0.79 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2qkm h GLU 4 CO 0.06 0.50 -0.38 -0.91 0.07 0.00 0.00 179.01 178.36 2qkm h ASN 5 N 0.78 0.75 -0.48 3.06 2.35 -1.74 -0.54 115.58 119.75 2qkm h ASN 5 Ca 0.24 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2qkm h ASN 5 Cb -0.01 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2qkm h ASN 5 CO -0.06 1.12 0.30 0.40 -1.65 0.00 0.00 177.43 177.55 2qkm h ILE 6 N 0.40 1.09 -0.31 2.81 1.08 -1.43 0.10 117.51 121.24 2qkm h ILE 6 Ca 0.02 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2qkm h ILE 6 Cb 0.97 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2qkm h ILE 6 CO 0.09 0.11 0.18 -0.07 -0.69 0.00 0.00 178.15 177.76 2qkm h LEU 7 N 0.62 0.28 -0.59 1.44 4.07 -1.41 -2.56 115.31 117.15 2qkm h LEU 7 Ca 0.19 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2qkm h LEU 7 Cb -0.03 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 2qkm h LEU 7 CO -0.06 0.20 0.38 -0.09 -1.08 0.00 0.00 178.44 177.79 2qkm h ARG 8 N 0.36 0.78 -0.28 1.13 2.43 -0.56 -2.35 114.38 115.91 2qkm h ARG 8 Ca 0.13 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2qkm h ARG 8 Cb 0.01 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.33 2qkm h ARG 8 CO -0.07 0.53 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.88 2qkm h ASN 9 N 0.80 -0.47 -0.94 -3.80 -0.26 -0.69 -1.86 115.58 108.35 2qkm h ASN 9 Ca 0.21 0.11 0.01 0.00 -0.56 0.00 0.00 56.30 56.08 2qkm h ASN 9 Cb -0.07 0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 2qkm h ASN 9 CO -0.04 -0.17 0.62 0.00 -1.06 0.00 0.00 177.43 176.78 2qkm h ALA 10 N 1.11 1.20 0.45 -0.83 0.00 -1.13 -2.04 119.26 118.02 2qkm h ALA 10 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qkm h ALA 10 Cb 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qkm h ALA 10 CO -0.34 0.58 -0.22 0.28 0.00 0.00 0.00 179.25 179.55 2qkm h VAL 11 N 1.27 0.00 -0.71 0.00 2.07 -1.03 -1.36 116.25 116.49 2qkm h VAL 11 Ca 0.35 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.93 2qkm h VAL 11 Cb -0.13 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.52 2qkm h VAL 11 CO -0.08 0.00 -0.24 0.59 0.02 0.00 0.00 177.57 177.85 2qkm n ASN 12 N -3.80 -0.39 -0.15 0.57 5.03 -0.73 -0.81 115.26 114.97 2qkm n ASN 12 Ca -0.08 1.22 -0.08 0.00 0.87 0.00 0.00 54.58 56.52 2qkm n ASN 12 Cb 0.24 -0.31 0.06 0.00 -1.02 0.00 0.00 39.78 38.75 2qkm n ASN 12 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2qkm h LEU 13 N 0.00 0.93 -0.26 3.41 5.85 -1.22 -1.39 115.31 122.63 2qkm h LEU 13 Ca 0.28 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2qkm h LEU 13 Cb 0.45 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2qkm h LEU 13 CO -0.71 1.05 0.08 1.56 -0.34 0.00 0.00 178.44 180.08 2qkm h GLN 14 N 0.83 0.19 0.25 1.25 4.20 0.20 0.87 115.11 122.89 2qkm h GLN 14 Ca 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2qkm h GLN 14 Cb 0.65 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2qkm h GLN 14 CO 0.05 0.13 -0.24 0.28 -0.67 0.00 0.00 178.83 178.37 2qkm h VAL 15 N 0.20 0.48 -0.51 -0.54 2.07 -0.99 0.83 116.25 117.79 2qkm h VAL 15 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2qkm h VAL 15 Cb 0.09 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2qkm h VAL 15 CO -0.13 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.68 2qkm h LEU 16 N -0.52 0.63 -1.85 2.57 3.38 -1.06 -1.27 115.31 117.18 2qkm h LEU 16 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qkm h LEU 16 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qkm h LEU 16 CO -0.05 0.52 0.08 0.11 0.09 0.00 0.00 178.44 179.19 2qkm h LYS 17 N 0.68 0.18 -0.11 1.13 1.57 -0.67 0.18 116.57 119.53 2qkm h LYS 17 Ca 0.18 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2qkm h LYS 17 Cb 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2qkm h LYS 17 CO -0.03 0.13 -0.25 0.35 -0.57 0.00 0.00 179.45 179.08 2qkm h PHE 18 N 0.19 0.21 0.00 -1.35 3.57 0.37 -2.19 116.94 117.74 2qkm h PHE 18 Ca 0.05 -0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.21 2qkm h PHE 18 Cb -0.01 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2qkm h PHE 18 CO 0.00 0.43 -1.79 0.72 -2.23 0.00 0.00 178.31 175.44 2qkm n HIS 19 N -4.18 0.90 -3.41 0.41 8.25 -0.80 -4.76 115.22 111.64 2qkm n HIS 19 Ca -0.01 0.32 -0.21 0.00 -0.26 0.00 0.00 57.72 57.56 2qkm n HIS 19 Cb 0.35 -1.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.19 2qkm n HIS 19 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2qkm s TYR 20 N -2.59 0.00 0.58 4.41 1.51 0.58 -5.03 117.35 116.82 2qkm s TYR 20 Ca -0.06 -0.96 0.27 0.00 -1.01 0.00 0.00 57.07 55.32 2qkm s TYR 20 Cb 0.08 -0.59 1.67 0.00 -0.11 0.00 0.00 41.96 43.01 2qkm s TYR 20 CO 0.82 -0.91 2.17 -1.00 -1.11 0.00 0.00 175.55 175.52 2qkm h PRO 21 N 7.31 0.00 0.00 -1.71 0.13 -1.62 -2.81 132.00 133.30 2qkm h PRO 21 Ca 0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2qkm h PRO 21 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2qkm h PRO 21 CO 0.25 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 178.86 2qkm h GLU 22 N 0.00 0.00 -6.73 0.86 4.39 -1.93 -3.44 114.58 107.73 2qkm h GLU 22 Ca 0.04 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.21 2qkm h GLU 22 Cb 0.23 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.96 2qkm h GLU 22 CO -0.00 0.09 0.90 -0.89 -1.16 0.00 0.00 179.01 177.95 2qkm n ILE 23 N -3.23 0.67 -0.01 3.13 5.41 -1.06 -0.29 119.36 123.98 2qkm n ILE 23 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.59 2qkm n ILE 23 Cb 0.35 -1.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.32 2qkm n ILE 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2qkm n GLU 24 N 2.73 1.52 -3.79 0.38 4.07 -0.58 -4.79 120.64 120.18 2qkm n GLU 24 Ca 0.11 -0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 57.06 2qkm n GLU 24 Cb 0.35 -1.14 -0.11 0.00 -0.06 0.00 0.00 31.44 30.48 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 -3.14 -0.24 -0.30 4.31 0.15 -0.72 -5.02 113.70 108.75 2qkm s SER 25 Ca -0.02 0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.95 2qkm s SER 25 Cb 0.03 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2qkm s SER 25 CO 0.24 -0.12 0.20 -0.63 1.20 0.00 0.00 173.24 174.13 2qkm s ILE 26 N -0.02 5.25 -0.15 6.45 1.01 -1.26 -1.11 121.20 131.37 2qkm s ILE 26 Ca -0.01 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2qkm s ILE 26 Cb -0.02 -3.56 -0.24 0.00 0.01 0.00 0.00 42.46 38.65 2qkm s ILE 26 CO 0.01 0.17 0.53 0.40 0.00 0.00 0.00 174.94 176.05 2qkm h ILE 27 N 5.42 1.30 -2.82 2.92 2.04 -1.09 -3.49 117.51 121.79 2qkm h ILE 27 Ca -0.34 -2.31 0.01 0.00 1.00 0.00 0.00 64.86 63.23 2qkm h ILE 27 Cb 1.18 2.81 -0.13 0.00 -0.74 0.00 0.00 36.82 39.94 2qkm h ILE 27 CO 0.58 0.52 0.28 -0.62 0.00 0.00 0.00 178.15 178.91 2qkm s ASP 28 N -6.66 -0.52 0.05 1.72 -1.08 -1.15 -5.01 116.67 104.02 2qkm s ASP 28 Ca -0.23 0.00 0.05 0.00 -0.52 0.00 0.00 52.55 51.86 2qkm s ASP 28 Cb 0.02 0.55 -0.02 0.00 -1.46 0.00 0.00 42.92 42.00 2qkm s ASP 28 CO 0.68 -0.88 -0.14 -0.63 0.52 0.00 0.00 175.17 174.71 2qkm s ILE 29 N -3.58 1.09 -0.06 4.11 1.01 -1.26 0.21 121.20 122.71 2qkm s ILE 29 Ca 0.02 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.64 2qkm s ILE 29 Cb -0.01 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2qkm s ILE 29 CO -0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 174.94 174.60 2qkm s ALA 30 N -0.95 1.54 0.10 9.38 0.00 0.85 -5.00 121.76 127.68 2qkm s ALA 30 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2qkm s ALA 30 Cb -0.08 -0.59 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 2qkm s ALA 30 CO 0.01 0.21 1.72 1.03 0.00 0.00 0.00 175.76 178.74 2qkm h SER 31 N 6.65 0.16 -3.31 0.00 0.87 -1.91 0.17 113.55 116.19 2qkm h SER 31 Ca -0.29 -0.05 -0.53 0.00 -1.23 0.00 0.00 61.79 59.69 2qkm h SER 31 Cb 1.19 -0.04 -0.38 0.00 -0.44 0.00 0.00 62.40 62.73 2qkm h SER 31 CO 0.47 0.17 -0.78 -2.28 -0.53 0.00 0.00 176.83 173.88 2qkm s HIS 32 N -6.00 1.38 -0.04 2.24 2.46 -1.26 -3.75 115.29 110.32 2qkm s HIS 32 Ca -0.13 -0.89 0.03 0.00 0.47 0.00 0.00 55.06 54.54 2qkm s HIS 32 Cb 0.07 -1.17 0.01 0.00 -0.13 0.00 0.00 32.58 31.36 2qkm s HIS 32 CO 0.68 -0.57 -0.11 0.08 -2.47 0.00 0.00 174.74 172.35 2qkm s VAL 33 N 1.74 1.00 0.08 0.89 1.01 0.56 -2.42 120.40 123.25 2qkm s VAL 33 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2qkm s VAL 33 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2qkm s VAL 33 CO -0.07 0.31 0.20 0.00 0.00 0.00 0.00 175.10 175.54 2qkm s ALA 34 N 0.36 3.92 -0.12 5.51 0.00 -0.45 -0.96 121.76 130.01 2qkm s ALA 34 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2qkm s ALA 34 Cb -0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 2qkm s ALA 34 CO 0.02 0.75 -0.13 0.08 0.00 0.00 0.00 175.76 176.48 2qkm s VAL 35 N -1.55 3.08 -0.02 0.00 1.01 -0.81 -1.07 120.40 121.05 2qkm s VAL 35 Ca 0.34 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2qkm s VAL 35 Cb -0.12 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2qkm s VAL 35 CO 0.27 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.36 2qkm s TYR 36 N 0.26 2.10 0.00 5.22 1.51 0.37 -2.00 117.35 124.81 2qkm s TYR 36 Ca -0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2qkm s TYR 36 Cb -0.15 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 2qkm s TYR 36 CO 0.05 -0.04 0.00 0.94 -1.11 0.00 0.00 175.55 175.39 2qkm n GLN 37 N 2.52 2.25 -4.10 -0.62 7.27 -0.30 0.16 117.38 124.55 2qkm n GLN 37 Ca -0.16 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.76 2qkm n GLN 37 Cb 0.52 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.05 2qkm n GLN 37 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2qkm s PHE 38 N 1.51 0.87 0.05 3.69 0.40 -1.26 -2.40 117.98 120.85 2qkm s PHE 38 Ca 0.00 -0.49 -0.14 0.00 -0.60 0.00 0.00 56.93 55.70 2qkm s PHE 38 Cb 0.00 -0.51 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 2qkm s PHE 38 CO 0.00 -0.03 1.22 0.38 0.70 0.00 0.00 175.22 177.49 2qkm h ASP 39 N 4.39 -0.72 -4.19 1.36 -0.00 -1.97 -3.48 116.42 111.81 2qkm h ASP 39 Ca -0.38 0.09 -0.30 0.00 -0.00 0.00 0.00 57.03 56.44 2qkm h ASP 39 Cb 1.20 0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 40.79 2qkm h ASP 39 CO 0.41 -0.19 -0.41 0.29 -0.00 0.00 0.00 179.24 179.34 2qkm n LYS 44 N -3.75 -2.69 -0.96 4.15 5.02 -1.26 -5.16 118.16 113.51 2qkm n LYS 44 Ca -0.02 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.59 2qkm n LYS 44 Cb 0.15 -5.27 0.15 0.00 -0.02 0.00 0.00 35.03 30.03 2qkm n LYS 44 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2qkm s TRP 45 N -2.76 2.03 -0.07 2.13 0.52 -1.26 -5.07 118.94 114.46 2qkm s TRP 45 Ca 0.11 1.53 -0.05 0.00 0.02 0.00 0.00 56.10 57.72 2qkm s TRP 45 Cb -0.06 -3.18 0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2qkm s TRP 45 CO 0.14 -2.53 0.17 -1.17 0.02 0.00 0.00 176.95 173.58 2qkm s LEU 46 N -6.38 0.97 -0.01 2.99 2.96 -1.01 -4.99 118.68 113.21 2qkm s LEU 46 Ca 0.64 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 54.61 2qkm s LEU 46 Cb -0.20 0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.98 2qkm s LEU 46 CO 0.58 -0.11 1.02 -0.75 -1.32 0.00 0.00 176.35 175.77 2qkm s LYS 47 N 0.68 4.52 0.67 1.98 2.20 -1.26 -1.15 119.74 127.38 2qkm s LYS 47 Ca -0.05 1.47 -0.04 0.00 -0.36 0.00 0.00 55.97 56.98 2qkm s LYS 47 Cb -0.06 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2qkm s LYS 47 CO -0.04 -0.12 0.96 0.95 -0.36 0.00 0.00 175.35 176.74 2qkm s THR 48 N 1.20 2.36 -1.36 3.43 -4.23 -0.85 -4.93 115.64 111.26 2qkm s THR 48 Ca 0.52 -0.39 0.30 0.00 -1.18 0.00 0.00 61.69 60.94 2qkm s THR 48 Cb -0.22 -2.97 0.44 0.00 1.34 0.00 0.00 72.50 71.10 2qkm s THR 48 CO 0.27 0.00 1.99 -1.54 -0.54 0.00 0.00 174.62 174.79 2qkm n SER 49 N -2.79 0.08 -4.59 3.99 3.41 -1.26 -4.79 113.62 107.67 2qkm n SER 49 Ca 0.09 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2qkm n SER 49 Cb 0.60 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.66 4.74 -0.22 -1.33 1.01 -1.26 -4.68 121.20 116.81 2qkm s ILE 50 Ca 0.25 0.90 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 2qkm s ILE 50 Cb 0.20 -4.20 0.08 0.00 0.01 0.00 0.00 42.46 38.55 2qkm s ILE 50 CO 0.48 -0.41 0.49 -0.70 0.00 0.00 0.00 174.94 174.81 2qkm s GLU 51 N 3.07 0.45 0.00 2.79 2.12 -1.26 -1.92 118.70 123.94 2qkm s GLU 51 Ca 0.31 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.69 2qkm s GLU 51 Cb -0.13 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2qkm s GLU 51 CO 0.16 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2qkm n GLY 52 N 4.84 -0.62 3.70 -1.50 0.00 -0.14 -0.03 105.19 111.44 2qkm n GLY 52 Ca -0.16 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.44 4.97 -0.19 2.61 2.01 -0.87 -0.32 115.64 120.41 2qkm s THR 53 Ca 0.00 1.63 -0.09 0.00 0.31 0.00 0.00 61.69 63.54 2qkm s THR 53 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2qkm s THR 53 CO 0.00 0.17 0.09 0.12 -0.69 0.00 0.00 174.62 174.32 2qkm s PHE 54 N 1.19 3.31 -0.15 4.92 2.19 0.59 -1.70 117.98 128.34 2qkm s PHE 54 Ca 0.41 0.17 -0.00 0.00 0.33 0.00 0.00 56.93 57.84 2qkm s PHE 54 Cb -0.18 -2.12 0.03 0.00 -1.31 0.00 0.00 43.02 39.44 2qkm s PHE 54 CO 0.19 0.20 -0.08 -0.06 1.83 0.00 0.00 175.22 177.30 2qkm s PHE 55 N 0.41 1.77 -0.07 10.12 0.08 0.08 -0.11 117.98 130.26 2qkm s PHE 55 Ca 0.05 -1.04 -0.23 0.00 0.12 0.00 0.00 56.93 55.84 2qkm s PHE 55 Cb -0.12 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2qkm s PHE 55 CO -0.00 -0.60 0.66 -1.17 -0.10 0.00 0.00 175.22 174.01 2qkm s LEU 56 N 1.61 4.32 0.07 -0.37 2.96 0.13 -0.45 118.68 126.95 2qkm s LEU 56 Ca 0.03 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2qkm s LEU 56 Cb -0.14 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2qkm s LEU 56 CO -0.08 -0.08 -0.05 0.68 -1.32 0.00 0.00 176.35 175.50 2qkm s VAL 57 N 0.70 0.41 -0.05 1.68 -7.23 0.33 -0.42 120.40 115.82 2qkm s VAL 57 Ca 0.35 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 2qkm s VAL 57 Cb -0.17 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 2qkm s VAL 57 CO 0.17 -0.91 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.10 2qkm s LYS 58 N -3.69 2.13 0.52 4.82 2.20 -0.27 -0.53 119.74 124.91 2qkm s LYS 58 Ca 0.07 -0.72 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2qkm s LYS 58 Cb 0.05 -1.80 0.09 0.00 -1.51 0.00 0.00 37.83 34.66 2qkm s LYS 58 CO -0.07 0.28 0.71 -0.40 -0.36 0.00 0.00 175.35 175.51 2qkm n ASP 59 N 3.13 1.60 -0.26 1.43 5.75 -0.62 -1.53 116.55 126.06 2qkm n ASP 59 Ca -0.18 -2.20 -0.00 0.00 -0.01 0.00 0.00 54.79 52.39 2qkm n ASP 59 Cb 0.53 -0.40 0.12 0.00 -1.03 0.00 0.00 41.12 40.33 2qkm n ASP 59 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2qkm h GLN 60 N 0.00 0.76 0.00 0.11 4.20 -0.96 -0.95 115.11 118.28 2qkm h GLN 60 Ca -0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2qkm h GLN 60 Cb 1.04 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2qkm h GLN 60 CO 0.32 0.50 0.00 0.54 -0.67 0.00 0.00 178.83 179.52 2qkm n ARG 61 N -4.73 0.67 -0.94 1.46 5.12 -1.26 -4.84 116.66 112.13 2qkm n ARG 61 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2qkm n ARG 61 Cb 0.18 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2qkm n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qkm n ALA 62 N -0.77 0.00 -1.77 7.54 0.00 -0.36 -5.00 120.51 120.16 2qkm n ALA 62 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2qkm n ALA 62 Cb 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.64 4.09 -0.10 0.00 0.52 -1.26 -4.71 118.95 116.85 2qkm s ARG 63 Ca 0.00 1.91 -0.14 0.00 -0.52 0.00 0.00 55.73 56.97 2qkm s ARG 63 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 2qkm s ARG 63 CO 0.00 -0.31 0.34 0.08 0.02 0.00 0.00 175.30 175.44 2qkm s VAL 64 N -1.36 5.22 0.03 3.52 1.01 -1.26 -1.58 120.40 125.98 2qkm s VAL 64 Ca 0.56 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 2qkm s VAL 64 Cb -0.32 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2qkm s VAL 64 CO 0.41 0.46 0.05 0.61 0.00 0.00 0.00 175.10 176.63 2qkm n GLY 65 N 2.76 2.49 3.25 4.51 0.00 0.31 -0.86 105.19 117.64 2qkm n GLY 65 Ca -0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -6.70 -0.29 -0.12 1.61 -0.85 0.24 -0.51 117.35 110.72 2qkm s TYR 66 Ca 0.02 0.63 0.01 0.00 -0.52 0.00 0.00 57.07 57.20 2qkm s TYR 66 Cb -0.00 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 2qkm s TYR 66 CO 0.01 -0.29 -0.14 0.08 -1.52 0.00 0.00 175.55 173.69 2qkm s VAL 67 N -0.55 2.94 -0.31 -3.49 1.01 0.40 -1.95 120.40 118.45 2qkm s VAL 67 Ca -0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2qkm s VAL 67 Cb -0.04 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2qkm s VAL 67 CO 0.02 0.53 0.09 -0.63 0.00 0.00 0.00 175.10 175.12 2qkm s ILE 68 N 0.29 3.91 -0.54 2.22 1.01 -0.13 -0.74 121.20 127.22 2qkm s ILE 68 Ca -0.11 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 2qkm s ILE 68 Cb -0.16 -3.09 0.03 0.00 0.01 0.00 0.00 42.46 39.25 2qkm s ILE 68 CO 0.06 -0.02 1.18 -0.76 0.00 0.00 0.00 174.94 175.39 2qkm s LEU 69 N 1.47 3.52 0.10 2.97 1.43 -0.69 -2.51 118.68 124.96 2qkm s LEU 69 Ca 0.01 0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 2qkm s LEU 69 Cb -0.18 -3.31 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 2qkm s LEU 69 CO 0.03 -1.40 1.41 0.21 0.23 0.00 0.00 176.35 176.83 2qkm s ASN 70 N 2.81 6.81 0.12 2.29 2.47 -1.26 -2.04 114.94 126.13 2qkm s ASN 70 Ca 0.45 2.31 0.27 0.00 0.42 0.00 0.00 52.86 56.32 2qkm s ASN 70 Cb -0.07 -2.58 0.96 0.00 -1.45 0.00 0.00 41.25 38.11 2qkm s ASN 70 CO 0.28 -0.68 1.81 0.54 -3.72 0.00 0.00 177.10 175.33 2qkm n ARG 71 N 4.27 0.15 -0.02 0.43 1.74 0.95 -4.16 116.66 120.02 2qkm n ARG 71 Ca 0.12 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.39 2qkm n ARG 71 Cb 0.42 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.93 0.33 -3.57 0.55 3.02 -1.26 -5.03 115.26 107.38 2qkm n ASN 72 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.53 2qkm n ASN 72 Cb 0.39 1.80 -0.02 0.00 -0.61 0.00 0.00 39.78 41.34 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 -4.48 -0.37 0.00 6.41 1.04 -1.26 -5.01 113.70 110.03 2qkm s SER 73 Ca -0.08 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2qkm s SER 73 Cb 0.12 0.49 0.29 0.00 0.10 0.00 0.00 66.02 67.02 2qkm s SER 73 CO 0.84 -0.84 0.81 -2.65 0.98 0.00 0.00 173.24 172.38 2qkm n PRO 74 N -0.35 0.14 -2.81 4.02 -0.02 -1.26 -4.49 135.00 130.23 2qkm n PRO 74 Ca -0.10 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 2qkm n PRO 74 Cb 0.62 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 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 -2.09 3.21 0.50 -0.52 2.12 -1.26 -4.93 118.70 115.72 2qkm s GLU 75 Ca 0.07 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 2qkm s GLU 75 Cb 0.03 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 2qkm s GLU 75 CO 0.06 -1.72 0.78 -0.80 -0.54 0.00 0.00 175.26 173.04 2qkm s ASN 76 N 3.36 5.97 -0.11 -1.70 0.01 -1.26 -4.56 114.94 116.65 2qkm s ASN 76 Ca 0.27 0.71 -0.03 0.00 -0.71 0.00 0.00 52.86 53.09 2qkm s ASN 76 Cb -0.14 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 2qkm s ASN 76 CO 0.14 -0.73 0.01 -0.22 -1.51 0.00 0.00 177.10 174.79 2qkm s LEU 77 N -4.75 3.63 -0.17 0.60 2.96 -1.05 -5.00 118.68 114.90 2qkm s LEU 77 Ca 0.49 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 2qkm s LEU 77 Cb -0.10 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.80 2qkm s LEU 77 CO 0.43 0.33 0.09 -0.47 -1.32 0.00 0.00 176.35 175.41 2qkm s TYR 78 N -0.61 0.26 0.02 5.38 5.04 -1.26 -0.95 117.35 125.22 2qkm s TYR 78 Ca 0.10 -0.36 0.06 0.00 -2.44 0.00 0.00 57.07 54.43 2qkm s TYR 78 Cb -0.12 -0.72 -0.02 0.00 0.35 0.00 0.00 41.96 41.45 2qkm s TYR 78 CO 0.02 -0.52 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.02 2qkm s LEU 79 N 2.12 2.11 0.24 6.97 1.43 -0.82 -4.98 118.68 125.74 2qkm s LEU 79 Ca 0.02 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 2qkm s LEU 79 Cb -0.16 -0.85 -0.08 0.00 0.03 0.00 0.00 46.19 45.13 2qkm s LEU 79 CO -0.10 0.15 0.66 -0.36 0.23 0.00 0.00 176.35 176.93 2qkm s PHE 80 N -0.64 3.51 -0.42 0.29 0.08 -1.26 -0.60 117.98 118.95 2qkm s PHE 80 Ca 0.06 1.17 -0.05 0.00 0.12 0.00 0.00 56.93 58.23 2qkm s PHE 80 Cb -0.08 -2.47 0.11 0.00 -0.57 0.00 0.00 43.02 40.01 2qkm s PHE 80 CO 0.01 0.27 0.23 0.42 -0.10 0.00 0.00 175.22 176.05 2qkm s ILE 81 N -1.70 3.53 -0.01 0.64 1.01 -0.04 -4.82 121.20 119.81 2qkm s ILE 81 Ca 0.46 -1.94 -0.23 0.00 0.00 0.00 0.00 60.65 58.94 2qkm s ILE 81 Cb -0.13 -3.37 -0.15 0.00 0.01 0.00 0.00 42.46 38.81 2qkm s ILE 81 CO 0.19 -0.68 1.06 0.78 0.00 0.00 0.00 174.94 176.29 2qkm h ASN 82 N 8.16 -0.34 -4.27 3.58 -0.26 -1.93 -3.40 115.58 117.12 2qkm h ASN 82 Ca -0.16 -0.20 -0.50 0.00 -0.56 0.00 0.00 56.30 54.89 2qkm h ASN 82 Cb 1.06 0.09 -0.28 0.00 -1.06 0.00 0.00 38.32 38.13 2qkm h ASN 82 CO 0.73 0.09 -0.82 -1.00 -1.06 0.00 0.00 177.43 175.38 2qkm s HIS 83 N -4.16 1.38 0.19 1.19 3.76 -1.26 -4.97 115.29 111.43 2qkm s HIS 83 Ca -0.13 -0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 2qkm s HIS 83 Cb 0.01 -0.86 0.15 0.00 1.11 0.00 0.00 32.58 32.99 2qkm s HIS 83 CO 0.49 0.01 1.34 -2.30 -0.85 0.00 0.00 174.74 173.43 2qkm n PRO 84 N 2.38 -0.24 0.00 8.40 -0.02 -1.26 -0.43 135.00 143.83 2qkm n PRO 84 Ca -0.16 1.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2qkm n PRO 84 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2qkm n PRO 84 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qkm n SER 85 N -5.24 0.00 -0.40 2.55 3.41 -1.26 -1.83 113.62 110.85 2qkm n SER 85 Ca 0.07 0.21 0.01 0.00 -0.26 0.00 0.00 58.87 58.91 2qkm n SER 85 Cb 0.32 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.02 -3.69 4.04 3.02 0.43 -4.87 115.26 114.06 2qkm n ASN 86 Ca 0.00 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.40 2qkm n ASN 86 Cb 0.07 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.60 -0.09 0.15 2.41 1.01 -0.76 -1.63 120.40 119.89 2qkm s VAL 87 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2qkm s VAL 87 Cb 0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2qkm s VAL 87 CO 0.04 0.04 0.05 -1.00 0.00 0.00 0.00 175.10 174.22 2qkm s HIS 88 N 1.55 1.02 -0.36 5.22 3.76 -0.81 -4.97 115.29 120.69 2qkm s HIS 88 Ca -0.09 -1.18 0.01 0.00 -0.15 0.00 0.00 55.06 53.65 2qkm s HIS 88 Cb -0.08 -0.57 0.10 0.00 1.11 0.00 0.00 32.58 33.13 2qkm s HIS 88 CO -0.13 -0.42 0.09 -0.51 -0.85 0.00 0.00 174.74 172.91 2qkm s LEU 89 N -3.11 4.77 -0.01 0.89 1.43 -1.26 -0.72 118.68 120.66 2qkm s LEU 89 Ca 0.26 -1.97 0.04 0.00 -1.03 0.00 0.00 54.13 51.43 2qkm s LEU 89 Cb 0.07 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2qkm s LEU 89 CO 0.04 -0.41 -0.15 -0.69 0.23 0.00 0.00 176.35 175.36 2qkm s VAL 90 N 1.04 1.16 -1.27 -1.59 1.01 -1.12 -4.85 120.40 114.78 2qkm s VAL 90 Ca 0.07 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2qkm s VAL 90 Cb -0.21 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.30 2qkm s VAL 90 CO -0.06 0.33 0.48 0.47 0.00 0.00 0.00 175.10 176.32 2qkm n ASP 91 N 2.77 -3.17 0.00 3.32 8.00 -1.26 0.00 116.55 126.21 2qkm n ASP 91 Ca -0.15 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2qkm n ASP 91 Cb 0.55 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 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 -3.70 -0.69 -3.74 -1.24 5.12 -1.26 -5.02 116.66 106.13 2qkm n ARG 92 Ca 0.01 0.17 -0.25 0.00 -1.93 0.00 0.00 57.85 55.85 2qkm n ARG 92 Cb 0.52 -3.74 -0.03 0.00 -1.16 0.00 0.00 32.46 28.05 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 -1.78 3.48 -0.50 -1.55 2.02 0.10 -4.61 117.35 114.51 2qkm s TYR 93 Ca 0.00 0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.81 2qkm s TYR 93 Cb 0.00 -1.78 0.12 0.00 -0.40 0.00 0.00 41.96 39.90 2qkm s TYR 93 CO 0.00 0.37 0.42 -1.17 -1.57 0.00 0.00 175.55 173.60 2qkm s LEU 94 N -3.59 5.90 0.03 -1.29 0.20 -0.13 -2.79 118.68 117.00 2qkm s LEU 94 Ca 0.37 -1.79 -0.30 0.00 0.69 0.00 0.00 54.13 53.10 2qkm s LEU 94 Cb -0.10 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 2qkm s LEU 94 CO 0.30 -0.76 1.02 -0.63 -0.29 0.00 0.00 176.35 175.99 2qkm s ILE 95 N 1.50 4.65 -0.13 6.68 -1.09 0.10 -1.31 121.20 131.60 2qkm s ILE 95 Ca 0.04 1.94 0.01 0.00 -2.23 0.00 0.00 60.65 60.42 2qkm s ILE 95 Cb -0.28 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.38 2qkm s ILE 95 CO 0.02 0.18 -0.16 -2.28 -1.23 0.00 0.00 174.94 171.47 2qkm s HIS 96 N 0.85 2.20 -0.67 3.97 2.46 0.10 -1.93 115.29 122.27 2qkm s HIS 96 Ca 0.52 -1.16 -0.15 0.00 0.47 0.00 0.00 55.06 54.74 2qkm s HIS 96 Cb -0.23 -1.58 0.17 0.00 -0.13 0.00 0.00 32.58 30.80 2qkm s HIS 96 CO 0.29 -0.60 0.63 0.50 -2.47 0.00 0.00 174.74 173.09 2qkm s ARG 97 N 1.21 3.26 1.18 2.88 3.52 -0.64 -0.13 118.95 130.22 2qkm s ARG 97 Ca -0.01 -2.01 -0.13 0.00 -0.13 0.00 0.00 55.73 53.45 2qkm s ARG 97 Cb -0.14 -4.36 0.29 0.00 -1.56 0.00 0.00 34.95 29.18 2qkm s ARG 97 CO -0.06 -1.33 1.02 0.99 -0.81 0.00 0.00 175.30 175.11 2qkm s THR 98 N 1.07 1.98 0.10 4.11 2.01 0.36 -4.87 115.64 120.41 2qkm s THR 98 Ca 0.10 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 2qkm s THR 98 Cb -0.21 -2.10 -0.12 0.00 0.01 0.00 0.00 72.50 70.08 2qkm s THR 98 CO -0.02 0.00 1.74 -0.08 -0.69 0.00 0.00 174.62 175.57 2qkm h GLU 99 N -2.65 0.05 -2.49 4.92 4.57 -1.88 -3.18 114.58 113.92 2qkm h GLU 99 Ca -0.62 -0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 56.99 2qkm h GLU 99 Cb 1.34 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.84 2qkm h GLU 99 CO 0.51 0.03 1.91 0.27 -1.18 0.00 0.00 179.01 180.55 2qkm n ASN 100 N -5.08 7.43 -0.06 1.04 0.23 -1.26 -4.80 115.26 112.77 2qkm n ASN 100 Ca -0.06 -2.87 -0.00 0.00 -0.53 0.00 0.00 54.58 51.12 2qkm n ASN 100 Cb 0.04 -1.40 -0.00 0.00 -2.08 0.00 0.00 39.78 36.33 2qkm n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qkm n GLN 101 N 2.23 -1.97 -2.55 -3.83 10.64 -1.20 -4.93 117.38 115.77 2qkm n GLN 101 Ca 0.61 0.28 -0.40 0.00 -1.83 0.00 0.00 57.00 55.65 2qkm n GLN 101 Cb 0.43 -3.84 -0.05 0.00 -0.86 0.00 0.00 30.24 25.92 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 -0.58 3.69 -0.33 2.61 3.76 -1.26 -4.86 115.29 118.32 2qkm s HIS 102 Ca 0.00 1.76 -0.05 0.00 -0.15 0.00 0.00 55.06 56.61 2qkm s HIS 102 Cb 0.00 -3.20 0.05 0.00 1.11 0.00 0.00 32.58 30.54 2qkm s HIS 102 CO 0.00 -0.27 0.09 0.08 -0.85 0.00 0.00 174.74 173.79 2qkm s VAL 103 N -1.13 3.59 -0.08 -0.90 1.01 -1.26 -0.48 120.40 121.15 2qkm s VAL 103 Ca 0.44 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2qkm s VAL 103 Cb -0.30 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2qkm s VAL 103 CO 0.38 -0.19 -0.02 -0.69 0.00 0.00 0.00 175.10 174.58 2qkm s VAL 104 N 1.36 4.10 -0.30 2.92 1.01 0.82 -4.10 120.40 126.21 2qkm s VAL 104 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2qkm s VAL 104 Cb -0.20 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2qkm s VAL 104 CO 0.02 0.60 0.01 -0.83 0.00 0.00 0.00 175.10 174.90 2qkm s GLY 105 N -0.87 1.75 -0.34 4.51 0.00 0.43 0.01 107.32 112.80 2qkm s GLY 105 Ca 0.13 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.97 2qkm s GLY 105 CO 0.02 0.68 0.57 1.08 0.00 0.00 0.00 173.10 175.45 2qkm s LEU 106 N 1.30 4.27 -0.55 0.66 1.43 -0.42 -0.48 118.68 124.89 2qkm s LEU 106 Ca -0.03 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 2qkm s LEU 106 Cb -0.19 -2.69 0.13 0.00 0.03 0.00 0.00 46.19 43.47 2qkm s LEU 106 CO -0.01 -0.51 0.52 0.86 0.23 0.00 0.00 176.35 177.45 2qkm s TRP 107 N 2.53 3.24 -0.19 0.29 -0.00 -0.23 -0.96 118.94 123.61 2qkm s TRP 107 Ca 0.22 -1.27 -0.29 0.00 -0.00 0.00 0.00 56.10 54.75 2qkm s TRP 107 Cb -0.15 -3.82 -0.01 0.00 -0.00 0.00 0.00 33.47 29.49 2qkm s TRP 107 CO 0.13 -1.04 1.34 -1.64 -0.00 0.00 0.00 176.95 175.74 2qkm s MET 108 N 1.67 4.11 0.56 5.86 -1.94 -1.26 -1.34 119.30 126.97 2qkm s MET 108 Ca 0.04 1.61 0.38 0.00 -1.71 0.00 0.00 55.69 56.00 2qkm s MET 108 Cb -0.29 -3.84 1.96 0.00 2.01 0.00 0.00 34.83 34.67 2qkm s MET 108 CO 0.03 -0.87 2.15 0.74 -0.01 0.00 0.00 175.02 177.05 2qkm h PHE 109 N 8.81 0.00 -3.65 -0.03 -1.00 -1.88 -3.37 116.94 115.81 2qkm h PHE 109 Ca -0.28 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.82 2qkm h PHE 109 Cb 1.11 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.37 2qkm h PHE 109 CO 0.84 0.00 -0.67 0.34 -1.61 0.00 0.00 178.31 177.21 2qkm s ASP 110 N -4.98 4.94 0.35 2.17 -1.08 -1.26 -5.00 116.67 111.81 2qkm s ASP 110 Ca -0.03 -1.03 0.03 0.00 -0.52 0.00 0.00 52.55 51.00 2qkm s ASP 110 Cb 0.11 -1.78 0.65 0.00 -1.46 0.00 0.00 42.92 40.43 2qkm s ASP 110 CO 0.39 -0.24 2.00 -0.65 0.52 0.00 0.00 175.17 177.19 2qkm h PRO 111 N 8.11 0.83 -0.44 4.34 0.11 -1.99 0.46 132.00 143.43 2qkm h PRO 111 Ca -0.26 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.87 2qkm h PRO 111 Cb 1.09 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 2qkm h PRO 111 CO 0.58 0.55 0.08 -0.91 -0.21 0.00 0.00 178.00 178.09 2qkm h ASN 112 N 0.85 -0.00 -0.39 -2.05 2.35 -1.94 -0.06 115.58 114.33 2qkm h ASN 112 Ca 0.25 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 2qkm h ASN 112 Cb -0.03 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 2qkm h ASN 112 CO -0.06 0.03 0.10 0.44 -1.65 0.00 0.00 177.43 176.29 2qkm h ASP 113 N 0.22 0.06 -0.60 5.81 5.19 -1.32 -0.41 116.42 125.37 2qkm h ASP 113 Ca 0.22 0.06 0.10 0.00 -0.62 0.00 0.00 57.03 56.79 2qkm h ASP 113 Cb 0.28 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.78 2qkm h ASP 113 CO -0.29 0.07 0.18 -0.03 -3.12 0.00 0.00 179.24 176.05 2qkm h MET 114 N 0.24 0.33 -0.24 3.56 4.05 -0.56 -1.57 114.93 120.74 2qkm h MET 114 Ca 0.19 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.46 2qkm h MET 114 Cb 0.21 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2qkm h MET 114 CO -0.23 0.22 -0.35 0.77 0.23 0.00 0.00 176.91 177.55 2qkm h SER 115 N 0.34 0.72 -0.57 1.39 0.02 -0.62 -2.55 113.55 112.28 2qkm h SER 115 Ca 0.31 -0.51 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2qkm h SER 115 Cb 0.42 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2qkm h SER 115 CO -0.35 1.10 -0.00 -0.09 -1.14 0.00 0.00 176.83 176.35 2qkm h ARG 116 N 0.37 1.03 0.19 3.45 2.43 -0.83 -2.65 114.38 118.37 2qkm h ARG 116 Ca 0.02 -0.32 -0.31 0.00 -0.81 0.00 0.00 59.98 58.56 2qkm h ARG 116 Cb 0.94 -0.10 0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2qkm h ARG 116 CO 0.08 1.01 -1.36 0.82 -1.51 0.00 0.00 179.97 179.01 2qkm h ILE 117 N 0.94 1.36 -0.27 1.20 2.04 -1.38 -2.47 117.51 118.93 2qkm h ILE 117 Ca 0.17 -2.80 0.03 0.00 1.00 0.00 0.00 64.86 63.26 2qkm h ILE 117 Cb 0.55 2.96 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 2qkm h ILE 117 CO 0.03 0.83 0.10 0.15 0.00 0.00 0.00 178.15 179.26 2qkm h PHE 118 N 0.14 0.18 -0.79 1.37 3.57 -1.47 -1.23 116.94 118.70 2qkm h PHE 118 Ca -0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 2qkm h PHE 118 Cb 2.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.72 2qkm h PHE 118 CO 0.10 0.08 0.47 -0.91 -2.23 0.00 0.00 178.31 175.83 2qkm h ASN 119 N 0.22 0.96 0.32 0.41 2.35 -1.48 -2.89 115.58 115.46 2qkm h ASN 119 Ca 0.12 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2qkm h ASN 119 Cb 0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2qkm h ASN 119 CO -0.12 0.74 -0.64 0.40 -1.65 0.00 0.00 177.43 176.17 2qkm h ILE 120 N 1.09 1.38 -0.74 2.81 2.04 -1.17 -0.70 117.51 122.23 2qkm h ILE 120 Ca 0.28 -2.03 0.10 0.00 1.00 0.00 0.00 64.86 64.22 2qkm h ILE 120 Cb -0.03 2.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 2qkm h ILE 120 CO -0.05 0.60 0.37 0.58 0.00 0.00 0.00 178.15 179.65 2qkm h VAL 121 N 0.22 0.82 -0.56 1.67 2.07 -1.05 1.81 116.25 121.23 2qkm h VAL 121 Ca -0.01 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2qkm h VAL 121 Cb 1.17 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2qkm h VAL 121 CO 0.10 0.11 -0.01 0.11 0.02 0.00 0.00 177.57 177.90 2qkm h LYS 122 N 0.61 0.97 -0.15 1.57 1.79 -1.24 -0.82 116.57 119.30 2qkm h LYS 122 Ca 0.37 -0.30 -0.20 0.00 -2.18 0.00 0.00 60.65 58.34 2qkm h LYS 122 Cb 0.42 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2qkm h LYS 122 CO -0.29 0.97 -0.72 0.93 -1.08 0.00 0.00 179.45 179.26 2qkm h GLU 123 N 0.89 0.67 0.00 3.15 5.08 0.54 -3.16 114.58 121.75 2qkm h GLU 123 Ca 0.16 -0.52 -0.14 0.00 -1.00 0.00 0.00 59.36 57.87 2qkm h GLU 123 Cb 0.54 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2qkm h GLU 123 CO 0.03 1.14 -0.64 0.77 -1.00 0.00 0.00 179.01 179.30 2qkm h SER 124 N 0.47 0.00 -0.44 1.42 0.02 0.28 -3.06 113.55 112.24 2qkm h SER 124 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2qkm h SER 124 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2qkm h SER 124 CO 0.14 0.64 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 2qkm n LEU 125 N -3.44 4.08 0.00 5.07 4.77 -0.32 -4.82 117.00 122.34 2qkm n LEU 125 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 2qkm n LEU 125 Cb 0.72 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qkm n LEU 125 CO 0.42 0.56 0.00 -0.11 -1.33 0.00 0.00 177.39 176.93 2qkm n LEU 126 N 0.57 0.00 0.00 2.23 0.00 -1.16 -4.76 117.00 113.88 2qkm n LEU 126 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.20 2qkm n LEU 126 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.25 2qkm n LEU 126 CO 0.21 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.46