#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi s SER 5 N 0.00 -0.84 -0.75 2.61 1.04 -1.26 -5.10 113.70 109.41 2xdi s SER 5 Ca 0.00 1.37 -0.26 0.00 0.48 0.00 0.00 55.95 57.54 2xdi s SER 5 Cb 0.00 1.64 -0.00 0.00 0.10 0.00 0.00 66.02 67.76 2xdi s SER 5 CO 0.00 -0.22 1.68 -2.16 0.98 0.00 0.00 173.24 173.52 2xdi s PRO 6 N 2.25 2.86 0.22 4.02 0.04 -1.26 -4.97 135.00 138.17 2xdi s PRO 6 Ca -0.07 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 2xdi s PRO 6 Cb -0.09 -4.57 -0.09 0.00 0.04 0.00 0.00 34.50 29.79 2xdi s PRO 6 CO -0.17 -2.65 1.25 -0.47 0.04 0.00 0.00 177.00 175.00 2xdi s TYR 7 N 7.96 3.32 -0.17 0.56 5.04 -1.26 -4.96 117.35 127.84 2xdi s TYR 7 Ca 0.57 1.36 -0.13 0.00 -2.44 0.00 0.00 57.07 56.43 2xdi s TYR 7 Cb -0.09 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.64 2xdi s TYR 7 CO 0.12 -1.52 -0.22 0.45 -1.34 0.00 0.00 175.55 173.04 2xdi n SER 8 N 2.19 1.87 -0.02 4.32 2.88 -1.26 -4.83 113.62 118.76 2xdi n SER 8 Ca 0.04 0.50 -0.01 0.00 -1.33 0.00 0.00 58.87 58.07 2xdi n SER 8 Cb 0.43 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi h ALA 9 N -0.96 0.00 -0.68 -1.46 0.00 -2.04 -3.49 119.26 110.62 2xdi h ALA 9 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2xdi h ALA 9 Cb 0.79 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2xdi h ALA 9 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2xdi n ALA 10 N -2.67 0.00 0.00 0.00 0.00 -1.26 -4.65 120.51 111.93 2xdi n ALA 10 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2xdi n ALA 10 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2xdi n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n MET 11 N 0.00 1.23 -3.48 0.00 0.00 -1.26 -5.00 117.12 108.62 2xdi n MET 11 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2xdi n MET 11 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 33.22 32.36 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2xdi n ALA 12 N -1.81 -1.10 1.20 3.17 0.00 -1.26 -4.73 120.51 115.98 2xdi n ALA 12 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2xdi n ALA 12 Cb 0.32 -1.47 0.26 0.00 0.00 0.00 0.00 19.45 18.56 2xdi n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2xdi n GLU 13 N -3.25 1.78 -0.59 0.00 2.13 -1.26 -4.57 120.64 114.89 2xdi n GLU 13 Ca 0.06 -1.31 -0.02 0.00 0.66 0.00 0.00 57.16 56.55 2xdi n GLU 13 Cb 0.48 -1.47 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 2xdi n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2xdi n GLN 14 N 0.54 0.00 0.08 5.31 10.64 -1.26 -4.99 117.38 127.70 2xdi n GLN 14 Ca 0.15 -0.23 -0.11 0.00 -1.83 0.00 0.00 57.00 54.98 2xdi n GLN 14 Cb 0.47 0.46 -0.11 0.00 -0.86 0.00 0.00 30.24 30.20 2xdi n GLN 14 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2xdi h ARG 15 N 0.00 0.13 0.00 2.61 2.43 -1.95 -3.09 114.38 114.51 2xdi h ARG 15 Ca -0.13 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2xdi h ARG 15 Cb 0.69 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2xdi h ARG 15 CO -0.07 1.08 0.14 1.25 -1.51 0.00 0.00 179.97 180.87 2xdi h HIS 16 N 0.04 0.00 0.00 2.20 2.76 -1.94 0.14 115.15 118.36 2xdi h HIS 16 Ca -0.07 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 2xdi h HIS 16 Cb 1.82 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.77 2xdi h HIS 16 CO 0.03 0.00 -0.16 0.37 -1.30 0.00 0.00 177.93 176.87 2xdi h GLN 17 N 0.00 0.00 0.00 5.26 5.75 -1.96 -0.65 115.11 123.52 2xdi h GLN 17 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2xdi h GLN 17 Cb 0.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 2xdi h GLN 17 CO 0.00 0.16 -0.01 0.93 -2.65 0.00 0.00 178.83 177.25 2xdi h GLU 18 N 0.00 0.00 -0.11 1.69 5.08 -0.92 -1.00 114.58 119.32 2xdi h GLU 18 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2xdi h GLU 18 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2xdi h GLU 18 CO 0.02 0.01 -0.75 2.35 -1.00 0.00 0.00 179.01 179.65 2xdi h TRP 19 N 0.00 0.97 -0.49 4.33 2.91 -1.27 -2.75 115.95 119.65 2xdi h TRP 19 Ca -0.00 -0.45 -0.08 0.00 1.13 0.00 0.00 58.89 59.49 2xdi h TRP 19 Cb 0.19 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 2xdi h TRP 19 CO 0.00 1.27 -0.02 -0.07 -1.03 0.00 0.00 178.44 178.59 2xdi h LEU 20 N 0.39 0.86 -1.21 0.65 3.38 -1.29 -0.31 115.31 117.78 2xdi h LEU 20 Ca -0.06 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.74 2xdi h LEU 20 Cb 1.39 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 2xdi h LEU 20 CO 0.15 0.97 0.59 -0.09 0.09 0.00 0.00 178.44 180.15 2xdi h ARG 21 N 0.73 0.73 0.00 1.13 2.43 -1.21 1.73 114.38 119.92 2xdi h ARG 21 Ca 0.14 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 2xdi h ARG 21 Cb 0.54 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2xdi h ARG 21 CO 0.03 0.49 -0.71 0.74 -1.51 0.00 0.00 179.97 179.01 2xdi h PHE 22 N 0.76 0.00 0.01 2.20 0.05 -1.12 0.35 116.94 119.18 2xdi h PHE 22 Ca 0.47 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 62.08 2xdi h PHE 22 Cb 0.71 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.67 2xdi h PHE 22 CO -0.00 0.71 -0.72 0.28 -0.18 0.00 0.00 178.31 178.40 2xdi h VAL 23 N 0.00 1.39 -0.16 -0.55 2.07 0.17 -0.61 116.25 118.56 2xdi h VAL 23 Ca -0.01 -2.14 -0.18 0.00 0.82 0.00 0.00 66.70 65.20 2xdi h VAL 23 Cb 1.43 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2xdi h VAL 23 CO 0.09 0.63 -0.64 0.44 0.02 0.00 0.00 177.57 178.12 2xdi h ASP 24 N 0.01 0.68 -0.21 0.57 5.19 0.23 1.21 116.42 124.09 2xdi h ASP 24 Ca -0.09 -0.40 -0.06 0.00 -0.62 0.00 0.00 57.03 55.86 2xdi h ASP 24 Cb 1.42 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2xdi h ASP 24 CO 0.14 1.15 -0.11 0.25 -3.12 0.00 0.00 179.24 177.55 2xdi h LEU 25 N 0.44 0.46 -0.02 1.55 5.85 -0.97 0.43 115.31 123.05 2xdi h LEU 25 Ca -0.01 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2xdi h LEU 25 Cb 1.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2xdi h LEU 25 CO 0.12 0.78 -0.02 0.25 -0.34 0.00 0.00 178.44 179.23 2xdi h LEU 26 N 0.15 0.05 -1.56 2.25 5.85 -1.04 -1.81 115.31 119.19 2xdi h LEU 26 Ca 0.05 -0.46 0.13 0.00 0.84 0.00 0.00 57.88 58.44 2xdi h LEU 26 Cb 0.61 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2xdi h LEU 26 CO 0.03 0.50 0.48 0.50 -0.34 0.00 0.00 178.44 179.61 2xdi h LYS 27 N -0.40 0.44 -0.34 1.25 3.64 0.15 0.65 116.57 121.96 2xdi h LYS 27 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2xdi h LYS 27 Cb 0.48 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2xdi h LYS 27 CO 0.00 0.29 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.54 2xdi h ASN 28 N 0.45 0.50 1.17 4.20 -0.26 0.28 -1.30 115.58 120.62 2xdi h ASN 28 Ca 0.35 -0.10 -0.09 0.00 -0.56 0.00 0.00 56.30 55.90 2xdi h ASN 28 Cb 0.73 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 2xdi h ASN 28 CO -0.11 0.58 -0.41 0.00 -1.06 0.00 0.00 177.43 176.43 2xdi h ALA 29 N 1.48 0.84 0.00 -0.83 0.00 0.11 0.20 119.26 121.06 2xdi h ALA 29 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2xdi h ALA 29 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2xdi h ALA 29 CO 0.01 0.51 -0.20 0.66 0.00 0.00 0.00 179.25 180.24 2xdi n TYR 30 N -3.36 0.52 -0.08 0.00 0.53 -0.11 -3.48 117.16 111.18 2xdi n TYR 30 Ca 0.01 0.15 -0.11 0.00 -1.02 0.00 0.00 57.90 56.93 2xdi n TYR 30 Cb 0.60 -0.70 -0.09 0.00 -1.03 0.00 0.00 39.34 38.12 2xdi n TYR 30 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 2xdi n GLN 31 N -1.96 0.87 0.27 -0.72 7.27 -0.59 -4.38 117.38 118.15 2xdi n GLN 31 Ca 0.05 0.07 0.18 0.00 0.07 0.00 0.00 57.00 57.37 2xdi n GLN 31 Cb 0.40 -1.36 0.86 0.00 2.41 0.00 0.00 30.24 32.55 2xdi n GLN 31 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2xdi h ASN 32 N 0.00 0.00 0.00 1.69 4.21 -1.08 -3.45 115.58 116.95 2xdi h ASN 32 Ca -0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.11 2xdi h ASN 32 Cb 1.71 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.91 2xdi h ASN 32 CO -0.03 0.00 0.00 -0.67 -1.29 0.00 0.00 177.43 175.44 2xdi n ASP 33 N -2.88 -3.40 -1.44 5.81 2.03 -1.23 -4.80 116.55 110.65 2xdi n ASP 33 Ca -0.01 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.39 2xdi n ASP 33 Cb 0.17 -2.06 0.33 0.00 -0.72 0.00 0.00 41.12 38.84 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xdi n LEU 34 N 0.00 4.51 -0.01 -2.67 -0.00 -1.26 -4.36 117.00 113.22 2xdi n LEU 34 Ca 0.00 -2.45 0.04 0.00 -0.00 0.00 0.00 56.01 53.60 2xdi n LEU 34 Cb 0.21 -0.54 0.22 0.00 -0.00 0.00 0.00 43.42 43.31 2xdi n LEU 34 CO 0.00 0.80 0.64 0.00 -0.00 0.00 0.00 177.39 178.83 2xdi n HIS 35 N 0.94 0.00 -0.30 1.47 1.44 -1.24 -4.20 115.22 113.33 2xdi n HIS 35 Ca 0.24 -0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.01 2xdi n HIS 35 Cb 0.84 0.00 0.15 0.00 0.12 0.00 0.00 29.99 31.11 2xdi n HIS 35 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2xdi h LEU 36 N 0.02 -0.66 0.13 2.39 3.38 -1.90 1.66 115.31 120.34 2xdi h LEU 36 Ca 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2xdi h LEU 36 Cb 0.00 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2xdi h LEU 36 CO 0.00 -0.28 -0.06 1.55 0.09 0.00 0.00 178.44 179.74 2xdi h PRO 37 N 0.02 -0.17 0.00 1.13 0.13 -1.97 -2.25 132.00 128.89 2xdi h PRO 37 Ca 0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 2xdi h PRO 37 Cb 0.75 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2xdi h PRO 37 CO -0.85 0.15 0.00 1.25 -0.23 0.00 0.00 178.00 178.32 2xdi h LEU 38 N -0.51 0.00 -0.20 1.56 7.12 -1.36 -2.09 115.31 119.83 2xdi h LEU 38 Ca -0.02 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.87 2xdi h LEU 38 Cb 0.40 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 2xdi h LEU 38 CO 0.03 0.00 -0.35 0.25 -0.13 0.00 0.00 178.44 178.24 2xdi h LEU 39 N 0.00 0.65 -0.49 2.25 5.85 0.30 0.64 115.31 124.51 2xdi h LEU 39 Ca 0.00 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.10 2xdi h LEU 39 Cb 0.15 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2xdi h LEU 39 CO 0.00 1.06 -0.39 -1.13 -0.34 0.00 0.00 178.44 177.64 2xdi h ASN 40 N 0.26 0.00 0.85 1.25 -1.24 -1.03 2.35 115.58 118.02 2xdi h ASN 40 Ca 0.01 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.83 2xdi h ASN 40 Cb 0.94 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 2xdi h ASN 40 CO 0.08 0.39 -1.25 -0.07 -1.29 0.00 0.00 177.43 175.29 2xdi h LEU 41 N 0.00 0.00 0.00 0.34 3.38 -1.38 -3.35 115.31 114.29 2xdi h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xdi h LEU 41 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2xdi h LEU 41 CO 0.05 0.75 -0.88 0.80 0.09 0.00 0.00 178.44 179.26 2xdi n MET 42 N -3.08 1.66 -0.86 1.13 1.56 0.22 -4.66 117.12 113.09 2xdi n MET 42 Ca -0.08 -0.02 -0.10 0.00 -0.27 0.00 0.00 57.70 57.23 2xdi n MET 42 Cb 0.90 -1.26 -0.14 0.00 2.15 0.00 0.00 33.22 34.87 2xdi n MET 42 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 2xdi n LEU 43 N -1.46 4.78 -4.37 -0.89 -0.00 0.79 -4.92 117.00 110.92 2xdi n LEU 43 Ca 0.02 -2.86 -0.31 0.00 -0.00 0.00 0.00 56.01 52.86 2xdi n LEU 43 Cb 0.27 -1.27 0.19 0.00 -0.00 0.00 0.00 43.42 42.61 2xdi n LEU 43 CO 0.32 1.44 -0.11 0.35 -0.00 0.00 0.00 177.39 179.40 2xdi n THR 44 N 2.44 0.00 0.01 1.47 -2.24 -1.26 -4.82 114.28 109.88 2xdi n THR 44 Ca 0.35 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2xdi n THR 44 Cb 0.80 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2xdi h PRO 45 N -2.19 -0.08 -0.88 -0.78 0.13 -1.99 -3.07 132.00 123.14 2xdi h PRO 45 Ca -0.54 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 64.85 2xdi h PRO 45 Cb 1.34 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 2xdi h PRO 45 CO 0.41 0.45 0.83 0.38 -0.23 0.00 0.00 178.00 179.84 2xdi h ASP 46 N -0.68 0.00 0.01 1.44 -0.00 -1.97 0.64 116.42 115.86 2xdi h ASP 46 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.96 2xdi h ASP 46 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.90 2xdi h ASP 46 CO 0.01 0.00 -0.26 -0.33 -0.00 0.00 0.00 179.24 178.67 2xdi h GLU 47 N 0.00 0.16 0.00 4.15 4.39 -1.89 0.99 114.58 122.39 2xdi h GLU 47 Ca 0.42 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 2xdi h GLU 47 Cb 2.07 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 2xdi h GLU 47 CO -0.00 0.94 -0.38 -0.09 -1.16 0.00 0.00 179.01 178.32 2xdi h ARG 48 N -0.54 0.00 0.01 2.33 1.12 -0.37 -0.47 114.38 116.46 2xdi h ARG 48 Ca -0.03 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.75 2xdi h ARG 48 Cb 1.04 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.01 2xdi h ARG 48 CO 0.05 0.38 -0.33 1.49 -3.11 0.00 0.00 179.97 178.45 2xdi h GLU 49 N 0.00 0.20 -0.02 0.20 4.81 0.07 -2.39 114.58 117.45 2xdi h GLU 49 Ca -0.00 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2xdi h GLU 49 Cb 0.78 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2xdi h GLU 49 CO 0.05 0.99 0.00 0.00 -0.73 0.00 0.00 179.01 179.32 2xdi h ALA 50 N 0.22 0.02 0.14 2.92 0.00 -0.70 0.52 119.26 122.38 2xdi h ALA 50 Ca -0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2xdi h ALA 50 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2xdi h ALA 50 CO 0.06 -0.34 -0.15 1.25 0.00 0.00 0.00 179.25 180.08 2xdi h LEU 51 N -0.23 -0.41 -1.98 0.00 5.85 -1.20 0.50 115.31 117.84 2xdi h LEU 51 Ca 0.01 0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.97 2xdi h LEU 51 Cb 0.27 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2xdi h LEU 51 CO 0.00 -0.19 0.57 1.23 -0.34 0.00 0.00 178.44 179.71 2xdi h GLY 52 N -0.29 0.00 0.65 3.75 0.00 -1.47 0.07 103.07 105.77 2xdi h GLY 52 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2xdi h GLY 52 CO -0.02 0.00 -0.02 -0.84 0.00 0.00 0.00 176.54 175.66 2xdi h THR 53 N 0.00 1.31 0.00 4.70 2.02 0.19 -2.04 112.91 119.10 2xdi h THR 53 Ca 0.35 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2xdi h THR 53 Cb 1.49 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 2xdi h THR 53 CO -0.00 0.26 -0.04 -0.09 0.37 0.00 0.00 175.52 176.02 2xdi h ARG 54 N -0.28 -0.07 -0.57 6.66 1.12 0.19 0.66 114.38 122.09 2xdi h ARG 54 Ca 0.01 0.00 0.15 0.00 -1.11 0.00 0.00 59.98 59.03 2xdi h ARG 54 Cb 0.43 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 2xdi h ARG 54 CO 0.01 -0.05 0.40 0.28 -3.11 0.00 0.00 179.97 177.50 2xdi h VAL 55 N -0.07 0.76 0.00 0.20 2.07 -1.38 -0.04 116.25 117.78 2xdi h VAL 55 Ca 0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2xdi h VAL 55 Cb 0.10 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2xdi h VAL 55 CO -0.04 0.02 -0.16 -0.09 0.02 0.00 0.00 177.57 177.31 2xdi h ARG 56 N 0.11 0.00 -0.46 1.57 2.43 -0.40 -2.39 114.38 115.24 2xdi h ARG 56 Ca 0.27 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 2xdi h ARG 56 Cb 0.94 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.39 2xdi h ARG 56 CO -0.03 0.49 -0.24 0.82 -1.51 0.00 0.00 179.97 179.50 2xdi h ILE 57 N -1.00 0.32 -0.17 1.20 2.04 0.68 1.68 117.51 122.26 2xdi h ILE 57 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2xdi h ILE 57 Cb 0.57 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2xdi h ILE 57 CO -0.02 0.00 0.11 0.58 0.00 0.00 0.00 178.15 178.82 2xdi h VAL 58 N -0.15 1.06 -0.54 1.67 2.07 -1.16 -1.00 116.25 118.20 2xdi h VAL 58 Ca 0.21 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2xdi h VAL 58 Cb 0.48 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2xdi h VAL 58 CO -0.55 0.06 0.26 -0.08 0.02 0.00 0.00 177.57 177.28 2xdi h GLU 59 N 0.22 0.78 0.00 1.57 4.81 -0.60 -1.09 114.58 120.27 2xdi h GLU 59 Ca 0.06 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2xdi h GLU 59 Cb -0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2xdi h GLU 59 CO -0.01 0.65 0.00 1.49 -0.73 0.00 0.00 179.01 180.40 2xdi h GLU 60 N 0.73 0.00 0.01 1.92 4.81 0.28 0.79 114.58 123.12 2xdi h GLU 60 Ca 0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2xdi h GLU 60 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2xdi h GLU 60 CO -0.02 0.00 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.12 2xdi h LEU 61 N 0.00 0.05 -0.17 1.64 3.38 0.12 3.02 115.31 123.34 2xdi h LEU 61 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2xdi h LEU 61 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2xdi h LEU 61 CO 0.00 0.91 0.00 -0.11 0.09 0.00 0.00 178.44 179.33 2xdi n LEU 62 N -4.62 0.23 -2.60 1.67 0.00 -0.79 -2.92 117.00 107.97 2xdi n LEU 62 Ca -0.10 0.55 -0.07 0.00 0.00 0.00 0.00 56.01 56.38 2xdi n LEU 62 Cb 0.45 -0.50 0.04 0.00 0.00 0.00 0.00 43.42 43.41 2xdi n LEU 62 CO 0.35 -0.28 0.04 -1.14 0.00 0.00 0.00 177.39 176.37 2xdi n ARG 63 N -1.74 2.26 0.00 1.96 0.63 0.27 -4.86 116.66 115.18 2xdi n ARG 63 Ca 0.04 -3.70 0.00 0.00 -0.92 0.00 0.00 57.85 53.27 2xdi n ARG 63 Cb 0.23 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.35 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2xdi n GLY 64 N -0.61 0.45 0.58 5.14 0.00 1.00 -2.93 105.19 108.83 2xdi n GLY 64 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2xdi n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2xdi n GLU 65 N -0.20 1.89 0.00 1.61 -0.00 -1.26 -3.74 120.64 118.93 2xdi n GLU 65 Ca 0.00 -1.69 0.14 0.00 -0.00 0.00 0.00 57.16 55.60 2xdi n GLU 65 Cb 0.14 -1.26 0.49 0.00 -0.00 0.00 0.00 31.44 30.81 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2xdi n MET 66 N 0.61 0.89 -0.42 3.44 2.81 -1.15 -4.36 117.12 118.95 2xdi n MET 66 Ca 0.10 -0.45 -0.00 0.00 -1.81 0.00 0.00 57.70 55.53 2xdi n MET 66 Cb 0.37 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2xdi n MET 66 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2xdi n SER 67 N -0.66 -0.04 0.02 7.83 3.41 -1.26 -4.92 113.62 118.00 2xdi n SER 67 Ca 0.14 -0.82 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 2xdi n SER 67 Cb 0.32 0.01 0.28 0.00 -0.26 0.00 0.00 64.21 64.57 2xdi n SER 67 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2xdi n GLN 68 N 0.00 0.10 0.00 4.33 7.27 -1.25 -0.44 117.38 127.40 2xdi n GLN 68 Ca -0.01 0.03 0.11 0.00 0.07 0.00 0.00 57.00 57.20 2xdi n GLN 68 Cb 0.40 -1.57 -0.10 0.00 2.41 0.00 0.00 30.24 31.39 2xdi n GLN 68 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2xdi n ARG 69 N -1.71 0.31 0.00 3.69 1.74 -1.26 -4.16 116.66 115.27 2xdi n ARG 69 Ca 0.05 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2xdi n ARG 69 Cb 0.37 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2xdi n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2xdi n GLU 70 N -1.90 1.24 -2.73 5.56 4.07 -1.24 -4.81 120.64 120.83 2xdi n GLU 70 Ca 0.01 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 2xdi n GLU 70 Cb 0.44 -0.93 -0.01 0.00 -0.06 0.00 0.00 31.44 30.89 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2xdi n LEU 71 N -1.34 3.73 -0.02 4.31 7.99 0.42 -4.75 117.00 127.33 2xdi n LEU 71 Ca 0.00 -5.12 -0.00 0.00 -0.01 0.00 0.00 56.01 50.88 2xdi n LEU 71 Cb 0.06 -0.23 -0.05 0.00 -0.11 0.00 0.00 43.42 43.09 2xdi n LEU 71 CO 0.00 2.18 -0.66 1.17 -1.51 0.00 0.00 177.39 178.58 2xdi n LYS 72 N -0.26 1.75 0.04 3.23 4.81 -1.25 -3.78 118.16 122.70 2xdi n LYS 72 Ca 0.30 -0.03 0.13 0.00 -0.87 0.00 0.00 58.31 57.84 2xdi n LYS 72 Cb 0.60 -1.17 0.37 0.00 0.02 0.00 0.00 35.03 34.85 2xdi n LYS 72 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2xdi n ASN 73 N -2.02 0.48 -1.52 3.14 5.15 -1.26 0.77 115.26 120.00 2xdi n ASN 73 Ca -0.06 0.25 0.09 0.00 -0.60 0.00 0.00 54.58 54.26 2xdi n ASN 73 Cb 0.48 -0.23 0.34 0.00 -0.53 0.00 0.00 39.78 39.83 2xdi n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2xdi n GLU 74 N -1.84 3.56 0.00 1.20 1.02 -1.26 -4.71 120.64 118.62 2xdi n GLU 74 Ca 0.05 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 2xdi n GLU 74 Cb 0.39 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2xdi n PHE 75 N 1.07 0.00 0.00 -0.32 -0.00 -1.21 -4.98 117.46 112.02 2xdi n PHE 75 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 2xdi n PHE 75 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.32 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2xdi n GLY 76 N 0.00 0.76 3.85 7.13 0.00 0.23 -4.30 105.19 112.85 2xdi n GLY 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi n ALA 77 N -0.98 -2.65 0.00 4.61 0.00 -1.25 -3.62 120.51 116.62 2xdi n ALA 77 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2xdi n ALA 77 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2xdi n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdi n GLY 78 N -1.86 1.93 0.47 0.00 0.00 -1.26 -5.00 105.19 99.47 2xdi n GLY 78 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 2xdi n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xdi n ILE 79 N -0.70 0.20 0.00 -0.61 2.08 -1.24 -3.95 119.36 115.13 2xdi n ILE 79 Ca 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.71 2xdi n ILE 79 Cb 0.00 1.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.97 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2xdi n ALA 80 N 0.58 1.45 -0.04 -1.39 0.00 -1.26 -4.70 120.51 115.14 2xdi n ALA 80 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 2xdi n ALA 80 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2xdi n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2xdi n THR 81 N -0.92 0.43 0.11 0.00 -2.24 -1.26 -4.02 114.28 106.38 2xdi n THR 81 Ca 0.00 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 2xdi n THR 81 Cb 0.00 -1.45 0.63 0.00 -2.10 0.00 0.00 70.33 67.42 2xdi n THR 81 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2xdi h ILE 82 N -0.23 0.89 -0.52 2.28 2.04 -1.89 0.02 117.51 120.10 2xdi h ILE 82 Ca -0.19 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2xdi h ILE 82 Cb 1.19 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2xdi h ILE 82 CO -0.10 0.01 0.00 0.41 0.00 0.00 0.00 178.15 178.47 2xdi n THR 83 N -4.47 1.39 0.00 -0.27 -1.04 -1.26 -4.91 114.28 103.72 2xdi n THR 83 Ca 0.04 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 2xdi n THR 83 Cb 0.32 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2xdi n ARG 84 N 0.84 2.81 -3.37 -2.82 0.63 -0.01 -4.82 116.66 109.93 2xdi n ARG 84 Ca 0.20 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.70 2xdi n ARG 84 Cb 0.66 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.56 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2xdi n GLY 85 N 0.48 4.32 3.31 5.14 0.00 -1.26 -5.01 105.19 112.17 2xdi n GLY 85 Ca 0.00 -2.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.14 2xdi n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xdi s SER 86 N 0.55 2.88 0.52 1.61 0.01 -1.26 -5.14 113.70 112.86 2xdi s SER 86 Ca 0.30 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 57.05 2xdi s SER 86 Cb -0.07 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2xdi s SER 86 CO -0.07 0.20 0.43 0.20 0.41 0.00 0.00 173.24 174.41 2xdi s ASN 87 N -1.32 4.74 0.00 2.44 0.01 -1.26 -5.12 114.94 114.43 2xdi s ASN 87 Ca 0.10 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 2xdi s ASN 87 Cb -0.10 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.75 2xdi s ASN 87 CO 0.02 -1.02 0.00 -1.54 -1.51 0.00 0.00 177.10 173.06 2xdi n SER 88 N -1.75 0.00 0.07 -1.22 3.41 -1.26 -4.55 113.62 108.33 2xdi n SER 88 Ca 0.01 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.80 2xdi n SER 88 Cb 0.64 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.05 2xdi n SER 88 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2xdi h LEU 89 N 0.00 0.00 0.00 1.04 6.46 -2.01 2.15 115.31 122.95 2xdi h LEU 89 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2xdi h LEU 89 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2xdi h LEU 89 CO 0.00 0.00 0.00 1.17 -0.62 0.00 0.00 178.44 178.99 2xdi n LYS 90 N -3.11 0.07 0.00 1.25 4.81 -1.26 -2.51 118.16 117.40 2xdi n LYS 90 Ca 0.10 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2xdi n LYS 90 Cb 1.01 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.56 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2xdi n ALA 91 N -1.44 2.11 -3.11 3.14 0.00 0.72 -5.03 120.51 116.91 2xdi n ALA 91 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2xdi n ALA 91 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.67 2xdi n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 92 N -0.50 -2.40 -0.06 0.00 0.00 -0.96 -4.89 120.51 111.69 2xdi n ALA 92 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 2xdi n ALA 92 Cb 0.01 -4.40 -0.06 0.00 0.00 0.00 0.00 19.45 15.00 2xdi n ALA 92 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xdi h PRO 93 N -0.62 0.68 -0.21 0.00 0.13 -1.87 -2.20 132.00 127.91 2xdi h PRO 93 Ca -0.42 -0.44 0.06 0.00 -0.87 0.00 0.00 66.00 64.33 2xdi h PRO 93 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2xdi h PRO 93 CO 0.38 1.06 0.41 0.28 -0.23 0.00 0.00 178.00 179.90 2xdi h VAL 94 N 0.39 0.19 0.18 1.56 2.07 -1.93 0.99 116.25 119.69 2xdi h VAL 94 Ca 0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.22 2xdi h VAL 94 Cb 1.04 0.64 0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2xdi h VAL 94 CO 0.10 0.00 -1.42 -0.08 0.02 0.00 0.00 177.57 176.19 2xdi h GLU 95 N 0.00 0.39 -0.14 1.57 4.57 -1.76 -2.60 114.58 116.61 2xdi h GLU 95 Ca 0.10 -0.66 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 2xdi h GLU 95 Cb 0.92 0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2xdi h GLU 95 CO -0.00 1.30 -0.03 1.25 -1.18 0.00 0.00 179.01 180.35 2xdi h LEU 96 N 0.11 0.28 -2.05 1.64 6.46 0.11 -2.45 115.31 119.40 2xdi h LEU 96 Ca -0.21 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 2xdi h LEU 96 Cb 2.07 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.92 2xdi h LEU 96 CO 0.23 0.58 -0.06 -0.09 -0.62 0.00 0.00 178.44 178.47 2xdi h ARG 97 N -0.02 0.00 -0.31 1.25 2.43 -0.70 -2.06 114.38 114.97 2xdi h ARG 97 Ca 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2xdi h ARG 97 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2xdi h ARG 97 CO 0.01 0.06 0.06 1.96 -1.51 0.00 0.00 179.97 180.55 2xdi h GLN 98 N 0.00 0.50 -0.27 0.20 1.08 -1.03 -0.06 115.11 115.53 2xdi h GLN 98 Ca -0.00 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2xdi h GLN 98 Cb 0.12 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2xdi h GLN 98 CO 0.01 0.59 0.16 2.35 -0.95 0.00 0.00 178.83 180.99 2xdi h TRP 99 N 0.34 0.30 -0.85 2.96 7.01 -1.06 -1.03 115.95 123.61 2xdi h TRP 99 Ca 0.10 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2xdi h TRP 99 Cb 0.32 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 2xdi h TRP 99 CO 0.02 0.18 0.56 -0.07 -2.79 0.00 0.00 178.44 176.34 2xdi h LEU 100 N 0.33 0.95 -2.07 0.65 3.38 -1.35 0.60 115.31 117.80 2xdi h LEU 100 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2xdi h LEU 100 Cb -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2xdi h LEU 100 CO -0.05 0.67 -0.00 -0.33 0.09 0.00 0.00 178.44 178.82 2xdi h GLU 101 N 1.11 0.00 0.02 1.13 5.08 0.22 1.15 114.58 123.29 2xdi h GLU 101 Ca 0.32 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2xdi h GLU 101 Cb -0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2xdi h GLU 101 CO -0.08 0.00 -0.30 0.93 -1.00 0.00 0.00 179.01 178.56 2xdi h GLU 102 N 0.00 0.18 0.00 2.33 5.08 0.18 0.13 114.58 122.48 2xdi h GLU 102 Ca -0.00 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2xdi h GLU 102 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2xdi h GLU 102 CO 0.00 0.98 -0.24 0.28 -1.00 0.00 0.00 179.01 179.03 2xdi h VAL 103 N -0.54 0.51 0.21 3.13 2.07 -0.88 0.34 116.25 121.09 2xdi h VAL 103 Ca -0.04 -1.32 -0.35 0.00 0.82 0.00 0.00 66.70 65.81 2xdi h VAL 103 Cb 1.10 1.93 0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2xdi h VAL 103 CO 0.06 0.24 -1.65 -0.07 0.02 0.00 0.00 177.57 176.17 2xdi h LEU 104 N 0.00 0.69 -2.64 2.57 3.38 0.13 -1.73 115.31 117.72 2xdi h LEU 104 Ca -0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2xdi h LEU 104 Cb 0.91 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2xdi h LEU 104 CO 0.03 1.75 0.00 0.18 0.09 0.00 0.00 178.44 180.49 2xdi n LEU 105 N -3.63 4.04 0.00 1.67 4.77 0.44 -4.56 117.00 119.73 2xdi n LEU 105 Ca -0.21 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 2xdi n LEU 105 Cb 1.09 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2xdi n LEU 105 CO 0.55 0.65 0.00 0.29 -1.33 0.00 0.00 177.39 177.55 2xdi n LYS 106 N 0.82 0.00 -0.49 3.23 5.02 0.12 -4.96 118.16 121.90 2xdi n LYS 106 Ca 0.21 0.00 0.40 0.00 -2.02 0.00 0.00 58.31 56.90 2xdi n LYS 106 Cb 0.78 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 36.49 2xdi n LYS 106 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2xdi h SER 107 N 0.00 0.16 0.00 4.39 4.64 -1.44 -3.35 113.55 117.95 2xdi h SER 107 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2xdi h SER 107 Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2xdi h SER 107 CO 0.00 -0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 174.97