#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi n SER 5 N 0.00 0.00 -0.01 1.08 7.64 -1.26 -4.97 113.62 116.10 2xdi n SER 5 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2xdi n SER 5 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2xdi n SER 5 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2xdi h PRO 6 N 0.00 0.78 -2.89 1.43 0.13 -2.06 -3.47 132.00 125.92 2xdi h PRO 6 Ca 0.00 -0.67 -0.08 0.00 -0.87 0.00 0.00 66.00 64.38 2xdi h PRO 6 Cb 0.00 0.15 -0.18 0.00 0.13 0.00 0.00 31.00 31.10 2xdi h PRO 6 CO 0.00 1.27 -0.10 1.52 -0.23 0.00 0.00 178.00 180.46 2xdi s TYR 7 N -3.68 -0.30 -0.98 1.56 -0.85 -1.26 -5.05 117.35 106.79 2xdi s TYR 7 Ca -0.10 0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 56.60 2xdi s TYR 7 Cb 0.08 0.22 -0.10 0.00 0.38 0.00 0.00 41.96 42.54 2xdi s TYR 7 CO 0.91 -0.54 1.99 0.43 -1.52 0.00 0.00 175.55 176.82 2xdi n SER 8 N 0.73 2.96 0.00 -0.18 7.64 -1.26 -4.70 113.62 118.81 2xdi n SER 8 Ca -0.19 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2xdi n SER 8 Cb 0.59 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xdi n ALA 9 N 7.82 0.00 -2.34 -0.43 0.00 -1.26 -5.15 120.51 119.15 2xdi n ALA 9 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 2xdi n ALA 9 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi s ALA 10 N -1.00 0.97 -0.05 0.00 0.00 -1.26 -4.50 121.76 115.92 2xdi s ALA 10 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 2xdi s ALA 10 Cb 0.00 1.34 -0.08 0.00 0.00 0.00 0.00 23.12 24.38 2xdi s ALA 10 CO 0.00 -0.63 0.59 1.98 0.00 0.00 0.00 175.76 177.70 2xdi h MET 11 N 2.56 -0.42 0.00 0.00 4.05 -2.03 -3.44 114.93 115.65 2xdi h MET 11 Ca -0.34 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2xdi h MET 11 Cb 1.25 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 2xdi h MET 11 CO 0.50 -0.23 0.00 0.00 0.23 0.00 0.00 176.91 177.41 2xdi n ALA 12 N -2.72 0.00 -1.94 0.39 0.00 -1.26 -4.79 120.51 110.19 2xdi n ALA 12 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2xdi n ALA 12 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 -2.09 0.10 0.00 2.13 -1.26 -4.27 120.64 115.25 2xdi n GLU 13 Ca 0.00 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2xdi n GLU 13 Cb 0.00 -4.56 0.00 0.00 0.27 0.00 0.00 31.44 27.15 2xdi n GLU 13 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2xdi n GLN 14 N -2.07 0.00 -3.33 5.31 6.02 -1.26 -5.06 117.38 117.00 2xdi n GLN 14 Ca -0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.79 2xdi n GLN 14 Cb 0.38 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.72 2xdi n GLN 14 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2xdi n ARG 15 N -2.94 -6.15 0.05 -1.09 3.00 -1.26 -4.92 116.66 103.36 2xdi n ARG 15 Ca 0.00 0.79 0.02 0.00 -0.00 0.00 0.00 57.85 58.66 2xdi n ARG 15 Cb 0.00 -5.62 -0.06 0.00 0.00 0.00 0.00 32.46 26.77 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2xdi h HIS 16 N -1.76 0.00 0.00 -0.14 2.76 -1.97 -3.32 115.15 110.71 2xdi h HIS 16 Ca -0.55 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.58 2xdi h HIS 16 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 2xdi h HIS 16 CO 0.41 0.46 -0.19 -0.56 -1.30 0.00 0.00 177.93 176.75 2xdi h GLN 17 N 0.00 0.00 -0.00 5.26 3.07 -2.02 -2.73 115.11 118.69 2xdi h GLN 17 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2xdi h GLN 17 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.03 2xdi h GLN 17 CO 0.04 0.19 -0.02 0.39 0.09 0.00 0.00 178.83 179.52 2xdi n GLU 18 N -3.19 0.07 0.02 0.06 1.02 -1.25 -2.53 120.64 114.85 2xdi n GLU 18 Ca 0.02 -0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 2xdi n GLU 18 Cb 0.55 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2xdi h TRP 19 N 0.01 0.46 -0.31 -0.32 2.91 -1.61 -2.50 115.95 114.58 2xdi h TRP 19 Ca 0.00 -0.32 -0.15 0.00 1.13 0.00 0.00 58.89 59.56 2xdi h TRP 19 Cb 0.47 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 2xdi h TRP 19 CO 0.00 1.22 -0.40 -0.07 -1.03 0.00 0.00 178.44 178.17 2xdi h LEU 20 N -0.43 0.79 -1.44 0.65 3.38 -1.63 0.22 115.31 116.86 2xdi h LEU 20 Ca -0.11 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2xdi h LEU 20 Cb 1.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2xdi h LEU 20 CO 0.12 1.09 0.31 -0.09 0.09 0.00 0.00 178.44 179.96 2xdi h ARG 21 N 0.61 0.69 0.15 1.13 2.43 -1.56 1.48 114.38 119.29 2xdi h ARG 21 Ca 0.05 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 2xdi h ARG 21 Cb 0.94 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2xdi h ARG 21 CO 0.09 0.48 -1.36 0.35 -1.51 0.00 0.00 179.97 178.02 2xdi h PHE 22 N 0.70 0.56 -0.21 2.20 3.04 -1.07 -0.58 116.94 121.58 2xdi h PHE 22 Ca 0.19 -0.41 -0.12 0.00 3.98 0.00 0.00 57.97 61.61 2xdi h PHE 22 Cb -0.03 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 2xdi h PHE 22 CO 0.00 1.35 -0.38 0.28 -2.02 0.00 0.00 178.31 177.54 2xdi h VAL 23 N 0.08 1.30 0.05 1.41 2.07 0.37 0.22 116.25 121.75 2xdi h VAL 23 Ca -0.18 -1.52 -0.27 0.00 0.82 0.00 0.00 66.70 65.55 2xdi h VAL 23 Cb 2.02 1.56 0.02 0.00 -1.52 0.00 0.00 31.29 33.36 2xdi h VAL 23 CO 0.20 0.47 -1.10 -0.78 0.02 0.00 0.00 177.57 176.38 2xdi h ASP 24 N 0.39 0.77 -0.27 0.57 3.58 0.20 0.36 116.42 122.02 2xdi h ASP 24 Ca 0.04 -0.66 -0.10 0.00 0.42 0.00 0.00 57.03 56.72 2xdi h ASP 24 Cb 0.85 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2xdi h ASP 24 CO 0.07 1.47 -0.23 -0.07 -2.88 0.00 0.00 179.24 177.60 2xdi h LEU 25 N 0.29 0.67 -0.01 2.28 4.07 -0.96 0.42 115.31 122.08 2xdi h LEU 25 Ca -0.14 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.36 2xdi h LEU 25 Cb 1.76 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 43.31 2xdi h LEU 25 CO 0.21 0.99 -0.00 0.25 -1.08 0.00 0.00 178.44 178.81 2xdi h LEU 26 N 0.36 0.01 -0.97 1.67 5.85 -0.60 0.26 115.31 121.91 2xdi h LEU 26 Ca 0.05 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2xdi h LEU 26 Cb 0.79 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2xdi h LEU 26 CO 0.06 0.37 0.61 0.50 -0.34 0.00 0.00 178.44 179.64 2xdi h LYS 27 N -0.34 1.02 0.00 1.25 1.63 -0.24 0.60 116.57 120.49 2xdi h LYS 27 Ca 0.00 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 2xdi h LYS 27 Cb 0.37 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2xdi h LYS 27 CO 0.00 0.68 -0.27 -0.97 -3.45 0.00 0.00 179.45 175.43 2xdi h ASN 28 N 1.05 0.00 0.21 4.20 -1.24 0.19 -2.00 115.58 117.99 2xdi h ASN 28 Ca 0.44 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.20 2xdi h ASN 28 Cb 0.29 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.35 2xdi h ASN 28 CO -0.21 0.27 -1.01 0.00 -1.29 0.00 0.00 177.43 175.19 2xdi h ALA 29 N 1.73 0.24 0.00 1.57 0.00 0.36 0.62 119.26 123.78 2xdi h ALA 29 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2xdi h ALA 29 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2xdi h ALA 29 CO 0.04 0.76 0.00 1.88 0.00 0.00 0.00 179.25 181.93 2xdi h TYR 30 N 0.29 0.00 0.00 0.00 0.99 -0.04 -0.78 116.97 117.43 2xdi h TYR 30 Ca -0.11 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.29 2xdi h TYR 30 Cb 1.66 0.00 -0.06 0.00 1.00 0.00 0.00 36.73 39.33 2xdi h TYR 30 CO 0.08 0.00 -2.26 0.94 -0.00 0.00 0.00 178.16 176.92 2xdi n GLN 31 N -2.30 0.97 0.11 4.88 7.27 -0.79 -4.40 117.38 123.12 2xdi n GLN 31 Ca 0.03 0.01 0.04 0.00 0.07 0.00 0.00 57.00 57.14 2xdi n GLN 31 Cb 0.28 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.26 -0.79 -3.47 115.58 112.75 2xdi h ASN 32 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 2xdi h ASN 32 Cb 2.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.35 2xdi h ASN 32 CO 0.02 0.41 0.00 -0.67 -1.06 0.00 0.00 177.43 176.12 2xdi n ASP 33 N -3.04 -5.09 -1.23 5.81 -0.08 -0.31 -4.78 116.55 107.83 2xdi n ASP 33 Ca -0.02 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.37 2xdi n ASP 33 Cb 0.72 -2.81 0.29 0.00 2.34 0.00 0.00 41.12 41.67 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xdi n LEU 34 N 0.00 3.81 -0.42 -2.67 -0.00 -1.26 -4.34 117.00 112.11 2xdi n LEU 34 Ca 0.00 -2.03 0.01 0.00 -0.00 0.00 0.00 56.01 54.00 2xdi n LEU 34 Cb 0.37 -0.45 0.05 0.00 -0.00 0.00 0.00 43.42 43.39 2xdi n LEU 34 CO 0.00 0.93 0.44 0.00 -0.00 0.00 0.00 177.39 178.76 2xdi n HIS 35 N 1.40 0.20 -0.31 1.47 1.44 -1.26 -4.33 115.22 113.83 2xdi n HIS 35 Ca 0.22 -0.08 0.06 0.00 -2.01 0.00 0.00 57.72 55.92 2xdi n HIS 35 Cb 0.60 -0.07 0.16 0.00 0.12 0.00 0.00 29.99 30.80 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 0.54 -0.64 -0.37 2.39 4.07 -1.94 1.83 115.31 121.19 2xdi h LEU 36 Ca 0.00 0.25 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 2xdi h LEU 36 Cb 0.40 0.49 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 2xdi h LEU 36 CO 0.03 -0.28 0.01 1.55 -1.08 0.00 0.00 178.44 178.67 2xdi h PRO 37 N 0.02 0.64 0.00 1.13 0.13 -1.97 0.15 132.00 132.11 2xdi h PRO 37 Ca 0.46 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2xdi h PRO 37 Cb 0.79 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2xdi h PRO 37 CO -0.86 0.74 0.00 1.25 -0.23 0.00 0.00 178.00 178.90 2xdi h LEU 38 N 0.47 0.00 0.16 1.56 7.12 -1.06 0.30 115.31 123.86 2xdi h LEU 38 Ca 0.11 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.82 2xdi h LEU 38 Cb 0.44 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2xdi h LEU 38 CO 0.02 0.00 -1.46 0.25 -0.13 0.00 0.00 178.44 177.11 2xdi h LEU 39 N 0.00 0.54 -0.15 2.25 5.85 0.32 -2.07 115.31 122.05 2xdi h LEU 39 Ca 0.00 -0.91 -0.23 0.00 0.84 0.00 0.00 57.88 57.58 2xdi h LEU 39 Cb 0.63 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2xdi h LEU 39 CO 0.00 1.66 -0.97 0.78 -0.34 0.00 0.00 178.44 179.58 2xdi h ASN 40 N -0.11 0.55 -0.07 1.25 2.35 -0.65 1.47 115.58 120.36 2xdi h ASN 40 Ca -0.29 -0.45 -0.10 0.00 -0.55 0.00 0.00 56.30 54.91 2xdi h ASN 40 Cb 1.92 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 40.11 2xdi h ASN 40 CO 0.14 1.25 -0.26 0.25 -1.65 0.00 0.00 177.43 177.17 2xdi h LEU 41 N 0.23 0.51 0.00 1.61 5.85 -1.05 -3.17 115.31 119.29 2xdi h LEU 41 Ca -0.09 -0.18 -0.26 0.00 0.84 0.00 0.00 57.88 58.19 2xdi h LEU 41 Cb 1.61 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 2xdi h LEU 41 CO 0.17 0.77 -1.80 0.80 -0.34 0.00 0.00 178.44 178.03 2xdi n MET 42 N -4.11 0.64 -3.00 1.25 1.56 -0.78 -4.91 117.12 107.78 2xdi n MET 42 Ca -0.00 0.18 -0.36 0.00 -0.27 0.00 0.00 57.70 57.24 2xdi n MET 42 Cb 0.42 -1.72 -0.06 0.00 2.15 0.00 0.00 33.22 34.00 2xdi n MET 42 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 2xdi s LEU 43 N -5.78 4.32 0.23 -0.89 0.05 0.50 -5.04 118.68 112.06 2xdi s LEU 43 Ca -0.06 1.54 0.00 0.00 0.05 0.00 0.00 54.13 55.67 2xdi s LEU 43 Cb 0.08 -3.77 -0.04 0.00 -2.05 0.00 0.00 46.19 40.42 2xdi s LEU 43 CO 0.83 -0.02 0.18 0.42 -0.55 0.00 0.00 176.35 177.20 2xdi s THR 44 N -1.59 0.00 0.10 5.48 -4.23 -1.26 -4.76 115.64 109.38 2xdi s THR 44 Ca 0.46 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 2xdi s THR 44 Cb -0.17 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.12 2xdi s THR 44 CO 0.21 0.00 1.49 1.55 -0.54 0.00 0.00 174.62 177.33 2xdi h PRO 45 N 2.51 0.66 0.00 3.99 0.13 -1.99 -1.91 132.00 135.39 2xdi h PRO 45 Ca -0.33 -0.28 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2xdi h PRO 45 Cb 1.25 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2xdi h PRO 45 CO 0.49 0.86 -0.00 -0.44 -0.23 0.00 0.00 178.00 178.68 2xdi h ASP 46 N 0.43 0.00 0.20 1.44 3.45 -1.98 -1.16 116.42 118.80 2xdi h ASP 46 Ca 0.08 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.53 2xdi h ASP 46 Cb 0.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 2xdi h ASP 46 CO 0.04 0.00 -0.10 -0.08 -1.57 0.00 0.00 179.24 177.54 2xdi h GLU 47 N 0.00 -0.26 -0.49 3.56 4.57 -1.81 0.11 114.58 120.27 2xdi h GLU 47 Ca -0.00 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2xdi h GLU 47 Cb 0.42 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2xdi h GLU 47 CO 0.00 0.10 0.32 0.07 -1.18 0.00 0.00 179.01 178.32 2xdi h ARG 48 N -0.94 0.52 0.23 1.92 0.11 -1.21 1.47 114.38 116.47 2xdi h ARG 48 Ca -0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2xdi h ARG 48 Cb 0.47 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2xdi h ARG 48 CO 0.05 0.34 -0.11 1.49 0.10 0.00 0.00 179.97 181.84 2xdi h GLU 49 N 0.53 -0.29 -0.33 0.08 4.81 -1.19 -0.38 114.58 117.81 2xdi h GLU 49 Ca 0.20 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 2xdi h GLU 49 Cb 0.12 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2xdi h GLU 49 CO -0.05 0.04 -0.32 0.00 -0.73 0.00 0.00 179.01 177.95 2xdi h ALA 50 N -0.02 0.81 0.75 2.92 0.00 -0.17 -0.06 119.26 123.49 2xdi h ALA 50 Ca -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2xdi h ALA 50 Cb 0.47 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2xdi h ALA 50 CO 0.05 0.64 -0.37 1.25 0.00 0.00 0.00 179.25 180.83 2xdi h LEU 51 N 0.61 -0.88 -1.36 0.00 7.12 0.20 -0.83 115.31 120.18 2xdi h LEU 51 Ca 0.07 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.17 2xdi h LEU 51 Cb 0.84 0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 41.16 2xdi h LEU 51 CO 0.07 -0.62 0.48 1.23 -0.13 0.00 0.00 178.44 179.47 2xdi h GLY 52 N -1.02 0.97 0.70 3.75 0.00 -1.05 0.17 103.07 106.60 2xdi h GLY 52 Ca -0.10 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.00 2xdi h GLY 52 CO 0.16 0.24 0.62 -0.84 0.00 0.00 0.00 176.54 176.73 2xdi h THR 53 N 0.79 1.03 -0.12 4.70 2.02 -0.28 0.54 112.91 121.59 2xdi h THR 53 Ca 0.31 -0.37 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 2xdi h THR 53 Cb 0.21 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2xdi h THR 53 CO -0.10 0.19 -0.73 0.03 0.37 0.00 0.00 175.52 175.29 2xdi h ARG 54 N 1.07 0.56 -0.25 6.66 2.47 0.40 0.46 114.38 125.75 2xdi h ARG 54 Ca 0.44 -0.45 -0.12 0.00 -1.26 0.00 0.00 59.98 58.58 2xdi h ARG 54 Cb 0.28 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2xdi h ARG 54 CO -0.19 1.07 -0.36 0.28 0.56 0.00 0.00 179.97 181.34 2xdi h VAL 55 N 0.39 1.29 0.18 2.04 2.07 -0.12 -1.43 116.25 120.67 2xdi h VAL 55 Ca -0.03 -1.49 -0.26 0.00 0.82 0.00 0.00 66.70 65.73 2xdi h VAL 55 Cb 1.32 1.49 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2xdi h VAL 55 CO 0.14 0.47 -1.19 -0.09 0.02 0.00 0.00 177.57 176.92 2xdi h ARG 56 N 0.46 0.38 0.12 1.57 2.43 0.09 -2.52 114.38 116.91 2xdi h ARG 56 Ca 0.05 -0.64 0.01 0.00 -0.81 0.00 0.00 59.98 58.59 2xdi h ARG 56 Cb 0.84 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2xdi h ARG 56 CO 0.07 1.31 -0.17 0.82 -1.51 0.00 0.00 179.97 180.49 2xdi h ILE 57 N -0.16 0.61 -0.36 1.20 1.08 -0.06 1.43 117.51 121.25 2xdi h ILE 57 Ca -0.22 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2xdi h ILE 57 Cb 1.86 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 2xdi h ILE 57 CO 0.18 0.00 0.23 0.58 -0.69 0.00 0.00 178.15 178.45 2xdi h VAL 58 N -0.34 1.10 -0.36 1.67 2.07 -1.39 0.16 116.25 119.16 2xdi h VAL 58 Ca 0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2xdi h VAL 58 Cb 0.35 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2xdi h VAL 58 CO -0.08 0.10 0.08 -0.08 0.02 0.00 0.00 177.57 177.61 2xdi h GLU 59 N 0.48 0.59 0.00 1.57 4.81 -1.02 -2.10 114.58 118.91 2xdi h GLU 59 Ca 0.13 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2xdi h GLU 59 Cb -0.03 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2xdi h GLU 59 CO -0.03 0.64 -0.05 1.49 -0.73 0.00 0.00 179.01 180.33 2xdi h GLU 60 N 0.44 0.00 -0.23 1.92 4.81 0.23 0.91 114.58 122.65 2xdi h GLU 60 Ca 0.11 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.16 2xdi h GLU 60 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2xdi h GLU 60 CO 0.00 0.05 -0.58 1.25 -0.73 0.00 0.00 179.01 179.01 2xdi h LEU 61 N 0.00 0.91 -0.52 1.64 7.12 -0.02 2.57 115.31 127.01 2xdi h LEU 61 Ca -0.00 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.44 2xdi h LEU 61 Cb 0.35 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2xdi h LEU 61 CO 0.01 1.31 -0.23 -0.11 -0.13 0.00 0.00 178.44 179.29 2xdi n LEU 62 N -4.04 1.03 0.00 2.25 7.94 -0.76 -3.44 117.00 119.98 2xdi n LEU 62 Ca -0.06 -0.27 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 2xdi n LEU 62 Cb 0.64 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2xdi n LEU 62 CO 0.50 0.19 0.27 -1.14 -1.11 0.00 0.00 177.39 176.11 2xdi n ARG 63 N -0.60 -0.54 -2.77 1.96 3.00 0.31 -4.71 116.66 113.30 2xdi n ARG 63 Ca 0.13 -0.60 -0.03 0.00 -0.00 0.00 0.00 57.85 57.35 2xdi n ARG 63 Cb 0.35 -0.99 0.06 0.00 0.00 0.00 0.00 32.46 31.87 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 64 N -0.06 1.74 0.41 5.14 0.00 0.86 -4.84 105.19 108.44 2xdi n GLY 64 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.62 2.70 -0.72 1.61 0.28 -1.22 -4.68 120.64 117.99 2xdi n GLU 65 Ca 0.03 -2.10 -0.10 0.00 -0.16 0.00 0.00 57.16 54.83 2xdi n GLU 65 Cb 0.82 -1.32 0.03 0.00 1.43 0.00 0.00 31.44 32.39 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2xdi n MET 66 N -0.25 1.50 -0.48 3.44 2.81 -1.26 -3.68 117.12 119.19 2xdi n MET 66 Ca 0.10 -0.98 -0.01 0.00 -1.81 0.00 0.00 57.70 55.01 2xdi n MET 66 Cb 0.49 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.72 -0.09 0.20 7.83 3.41 -1.26 -4.97 113.62 119.46 2xdi n SER 67 Ca 0.19 -0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 2xdi n SER 67 Cb 0.57 0.03 0.71 0.00 -0.26 0.00 0.00 64.21 65.26 2xdi n SER 67 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2xdi h GLN 68 N 0.00 0.00 0.00 4.33 3.07 -1.87 1.31 115.11 121.95 2xdi h GLN 68 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2xdi h GLN 68 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2xdi h GLN 68 CO -0.03 0.00 -0.85 -2.13 0.09 0.00 0.00 178.83 175.91 2xdi n ARG 69 N -2.43 0.02 0.00 0.06 0.63 -1.26 -4.24 116.66 109.43 2xdi n ARG 69 Ca -0.02 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2xdi n ARG 69 Cb 0.06 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.46 2xdi n ARG 69 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2xdi n GLU 70 N -1.52 4.14 -2.67 -0.14 1.02 0.48 -4.78 120.64 117.17 2xdi n GLU 70 Ca 0.04 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 2xdi n GLU 70 Cb 0.34 -0.60 -0.01 0.00 -0.02 0.00 0.00 31.44 31.15 2xdi n GLU 70 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2xdi n LEU 71 N -1.00 4.08 0.00 -4.62 0.00 0.42 -4.72 117.00 111.17 2xdi n LEU 71 Ca 0.00 -5.18 0.00 0.00 0.00 0.00 0.00 56.01 50.83 2xdi n LEU 71 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 43.42 43.09 2xdi n LEU 71 CO 0.00 2.20 -0.37 2.29 0.00 0.00 0.00 177.39 181.51 2xdi n LYS 72 N -0.33 1.91 0.00 1.96 2.85 -1.26 -4.66 118.16 118.63 2xdi n LYS 72 Ca 0.33 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2xdi n LYS 72 Cb 0.60 -0.87 0.71 0.00 -0.65 0.00 0.00 35.03 34.81 2xdi n LYS 72 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2xdi n ASN 73 N -1.23 0.00 -0.35 -5.58 2.85 -1.26 -0.54 115.26 109.15 2xdi n ASN 73 Ca 0.00 -0.61 0.11 0.00 -0.11 0.00 0.00 54.58 53.96 2xdi n ASN 73 Cb 0.09 -0.06 -0.03 0.00 1.24 0.00 0.00 39.78 41.02 2xdi n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2xdi n GLU 74 N -1.06 0.85 0.00 1.20 1.02 -1.26 -4.41 120.64 116.97 2xdi n GLU 74 Ca 0.17 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 2xdi n GLU 74 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2xdi n GLU 74 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2xdi n PHE 75 N -0.46 0.00 -1.15 -0.32 3.72 -0.91 -5.05 117.46 113.29 2xdi n PHE 75 Ca 0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2xdi n PHE 75 Cb 0.43 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.00 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xdi n GLY 76 N 2.37 -3.43 3.01 1.37 0.00 0.30 -1.97 105.19 106.85 2xdi n GLY 76 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.07 -2.82 0.00 4.61 0.00 -1.26 -4.48 120.51 114.49 2xdi n ALA 77 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2xdi n ALA 77 Cb 0.51 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 -0.58 1.46 3.08 0.00 0.00 -1.25 -5.04 105.19 102.86 2xdi n GLY 78 Ca 0.05 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2xdi n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xdi s ILE 79 N -0.32 3.88 0.00 -0.61 1.09 -0.83 -4.75 121.20 119.65 2xdi s ILE 79 Ca 0.00 -3.37 0.00 0.00 -1.10 0.00 0.00 60.65 56.18 2xdi s ILE 79 Cb 0.00 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 2xdi s ILE 79 CO 0.00 -0.96 0.00 0.00 -0.10 0.00 0.00 174.94 173.88 2xdi n ALA 80 N 2.97 1.83 0.30 9.38 0.00 -1.26 -4.59 120.51 129.15 2xdi n ALA 80 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2xdi n ALA 80 Cb 0.37 0.25 0.42 0.00 0.00 0.00 0.00 19.45 20.50 2xdi n ALA 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2xdi n THR 81 N -1.84 1.07 0.08 0.00 5.66 -1.26 0.22 114.28 118.21 2xdi n THR 81 Ca 0.00 0.40 0.11 0.00 -3.05 0.00 0.00 64.05 61.52 2xdi n THR 81 Cb 0.36 -1.33 -0.10 0.00 -1.55 0.00 0.00 70.33 67.71 2xdi n THR 81 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2xdi n ILE 82 N -2.01 0.24 -0.22 1.09 5.41 -1.26 -4.38 119.36 118.22 2xdi n ILE 82 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2xdi n ILE 82 Cb 0.14 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2xdi n ILE 82 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2xdi n THR 83 N -2.38 0.00 -2.99 1.39 5.66 -0.68 -4.92 114.28 110.36 2xdi n THR 83 Ca -0.02 -0.37 -0.44 0.00 -3.05 0.00 0.00 64.05 60.16 2xdi n THR 83 Cb 0.55 1.22 -0.01 0.00 -1.55 0.00 0.00 70.33 70.54 2xdi n THR 83 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2xdi s ARG 84 N -0.09 3.83 0.31 1.09 3.52 0.59 -5.01 118.95 123.19 2xdi s ARG 84 Ca 0.00 -2.23 -0.30 0.00 -0.13 0.00 0.00 55.73 53.08 2xdi s ARG 84 Cb 0.00 -4.92 -0.11 0.00 -1.56 0.00 0.00 34.95 28.36 2xdi s ARG 84 CO 0.00 -1.70 1.59 0.41 -0.81 0.00 0.00 175.30 174.79 2xdi n GLY 85 N 4.67 1.36 0.00 8.12 0.00 -1.26 -4.88 105.19 113.20 2xdi n GLY 85 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2xdi n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xdi n SER 86 N 1.92 0.00 -4.94 1.61 2.88 -1.26 -4.97 113.62 108.86 2xdi n SER 86 Ca 0.07 0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.63 2xdi n SER 86 Cb 0.37 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2xdi s ASN 87 N -3.38 6.33 0.00 -3.46 -0.87 -1.26 -5.09 114.94 107.20 2xdi s ASN 87 Ca 0.00 0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.69 2xdi s ASN 87 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 2xdi s ASN 87 CO 0.00 -0.19 0.00 -1.20 -2.57 0.00 0.00 177.10 173.14 2xdi n SER 88 N -1.40 0.00 -0.30 -1.22 7.64 -1.26 -4.57 113.62 112.51 2xdi n SER 88 Ca -0.05 0.00 0.34 0.00 1.01 0.00 0.00 58.87 60.16 2xdi n SER 88 Cb 0.56 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.49 2xdi n SER 88 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2xdi h LEU 89 N 0.00 0.02 -1.83 -3.43 -0.00 -1.98 2.20 115.31 110.28 2xdi h LEU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2xdi h LEU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2xdi h LEU 89 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 178.44 178.55 2xdi h LYS 90 N 0.02 0.00 -0.01 0.17 1.79 -2.01 0.89 116.57 117.43 2xdi h LYS 90 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 2xdi h LYS 90 Cb 2.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.79 2xdi h LYS 90 CO -0.02 0.00 -0.60 0.00 -1.08 0.00 0.00 179.45 177.75 2xdi n ALA 91 N -1.92 3.79 -3.81 3.86 0.00 0.74 -5.01 120.51 118.15 2xdi n ALA 91 Ca -0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 2xdi n ALA 91 Cb 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.79 -2.69 -0.05 0.00 0.00 0.31 -4.75 120.51 112.54 2xdi n ALA 92 Ca 0.05 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 2xdi n ALA 92 Cb 0.32 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.25 0.34 -0.14 0.00 0.13 -1.85 -1.13 132.00 128.10 2xdi h PRO 93 Ca -0.62 -0.18 0.04 0.00 -0.87 0.00 0.00 66.00 64.37 2xdi h PRO 93 Cb 1.37 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2xdi h PRO 93 CO 0.43 0.73 0.36 0.28 -0.23 0.00 0.00 178.00 179.56 2xdi h VAL 94 N -0.04 0.15 0.00 1.56 2.07 -1.95 1.44 116.25 119.48 2xdi h VAL 94 Ca 0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 2xdi h VAL 94 Cb 0.67 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2xdi h VAL 94 CO 0.03 0.00 -1.37 -0.08 0.02 0.00 0.00 177.57 176.18 2xdi h GLU 95 N 0.00 0.00 0.01 1.57 4.57 -1.71 -2.36 114.58 116.67 2xdi h GLU 95 Ca 0.07 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.07 2xdi h GLU 95 Cb 0.78 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2xdi h GLU 95 CO -0.00 0.58 -0.71 1.25 -1.18 0.00 0.00 179.01 178.95 2xdi h LEU 96 N 0.00 0.61 -0.69 1.64 5.85 0.29 -2.78 115.31 120.23 2xdi h LEU 96 Ca -0.17 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 2xdi h LEU 96 Cb 1.81 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2xdi h LEU 96 CO 0.08 1.30 -0.26 0.03 -0.34 0.00 0.00 178.44 179.25 2xdi h ARG 97 N -0.01 0.00 0.11 1.25 3.08 -0.30 -2.74 114.38 115.78 2xdi h ARG 97 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2xdi h ARG 97 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2xdi h ARG 97 CO 0.14 0.26 -0.05 1.96 -1.07 0.00 0.00 179.97 181.21 2xdi h GLN 98 N 0.00 -0.15 -0.54 0.04 1.08 -1.41 -1.20 115.11 112.93 2xdi h GLN 98 Ca -0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2xdi h GLN 98 Cb 0.94 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 2xdi h GLN 98 CO 0.03 0.27 0.32 2.35 -0.95 0.00 0.00 178.83 180.85 2xdi h TRP 99 N -0.61 0.73 -0.83 2.96 7.01 -1.52 -1.80 115.95 121.88 2xdi h TRP 99 Ca -0.02 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.05 2xdi h TRP 99 Cb 0.48 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 2xdi h TRP 99 CO 0.07 0.51 0.51 1.25 -2.79 0.00 0.00 178.44 177.99 2xdi h LEU 100 N 0.73 0.78 -0.97 0.65 5.85 -1.48 -0.85 115.31 120.02 2xdi h LEU 100 Ca 0.19 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2xdi h LEU 100 Cb 0.01 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2xdi h LEU 100 CO -0.03 0.49 0.63 -0.08 -0.34 0.00 0.00 178.44 179.10 2xdi h GLU 101 N 0.91 1.16 -0.37 1.25 4.81 -0.39 0.90 114.58 122.83 2xdi h GLU 101 Ca 0.37 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2xdi h GLU 101 Cb 0.22 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2xdi h GLU 101 CO -0.19 0.76 0.16 1.49 -0.73 0.00 0.00 179.01 180.50 2xdi h GLU 102 N 1.19 0.56 0.00 1.92 4.81 -0.53 1.09 114.58 123.62 2xdi h GLU 102 Ca 0.40 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2xdi h GLU 102 Cb 0.05 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2xdi h GLU 102 CO -0.14 0.53 0.00 0.28 -0.73 0.00 0.00 179.01 178.95 2xdi h VAL 103 N 0.46 0.00 0.14 0.32 2.07 -0.75 -0.01 116.25 118.48 2xdi h VAL 103 Ca 0.13 -0.52 -0.29 0.00 0.82 0.00 0.00 66.70 66.84 2xdi h VAL 103 Cb 0.17 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2xdi h VAL 103 CO -0.01 0.00 -1.45 0.25 0.02 0.00 0.00 177.57 176.38 2xdi h LEU 104 N 0.00 0.45 -1.51 2.57 5.85 0.20 -3.23 115.31 119.64 2xdi h LEU 104 Ca 0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 2xdi h LEU 104 Cb 0.69 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2xdi h LEU 104 CO 0.00 1.64 0.00 0.00 -0.34 0.00 0.00 178.44 179.74 2xdi n LEU 105 N -3.86 2.20 -3.15 2.25 -0.00 0.37 -4.68 117.00 110.12 2xdi n LEU 105 Ca -0.24 -1.10 0.05 0.00 -0.00 0.00 0.00 56.01 54.72 2xdi n LEU 105 Cb 0.94 -0.29 -0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2xdi n LEU 105 CO 0.44 0.52 0.51 -0.75 -0.00 0.00 0.00 177.39 178.11 2xdi s LYS 106 N -1.51 0.16 0.00 1.47 2.20 -0.02 -5.01 119.74 117.03 2xdi s LYS 106 Ca 0.26 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 2xdi s LYS 106 Cb 0.14 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2xdi s LYS 106 CO 0.17 -0.29 0.67 -1.13 -0.36 0.00 0.00 175.35 174.41 2xdi n SER 107 N 5.14 0.00 0.00 1.43 3.41 -1.22 -3.70 113.62 118.68 2xdi n SER 107 Ca 0.08 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2xdi n SER 107 Cb 0.57 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21