#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 -5.15 -4.79 1.08 7.64 -1.26 -3.93 113.62 107.21 2xdi n SER 5 Ca 0.00 1.41 -0.34 0.00 1.01 0.00 0.00 58.87 60.95 2xdi n SER 5 Cb 0.00 -4.61 -0.00 0.00 -1.01 0.00 0.00 64.21 58.58 2xdi n SER 5 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2xdi s PRO 6 N -0.79 3.43 0.00 1.43 0.04 -1.26 -2.15 135.00 135.71 2xdi s PRO 6 Ca -0.10 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2xdi s PRO 6 Cb 0.01 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2xdi s PRO 6 CO 0.28 -0.74 0.00 0.98 0.04 0.00 0.00 177.00 177.56 2xdi n TYR 7 N -1.48 0.00 0.00 0.56 9.36 -1.26 -4.67 117.16 119.67 2xdi n TYR 7 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 2xdi n TYR 7 Cb 0.52 -0.94 0.00 0.00 -0.63 0.00 0.00 39.34 38.29 2xdi n TYR 7 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2xdi n SER 8 N -0.30 1.81 -0.07 2.98 2.88 -1.17 -5.12 113.62 114.62 2xdi n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2xdi n SER 8 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi n ALA 9 N -2.15 0.00 -0.93 -1.46 0.00 -0.91 -4.97 120.51 110.08 2xdi n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2xdi n ALA 9 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 10 N 1.06 -1.40 -1.93 0.00 0.00 -1.26 -4.88 120.51 112.11 2xdi n ALA 10 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.78 2xdi n ALA 10 Cb 0.00 -1.07 0.12 0.00 0.00 0.00 0.00 19.45 18.50 2xdi n ALA 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2xdi n MET 11 N -2.04 0.85 -2.66 0.00 2.81 -1.26 -4.68 117.12 110.13 2xdi n MET 11 Ca 0.00 -2.60 -0.05 0.00 -1.81 0.00 0.00 57.70 53.24 2xdi n MET 11 Cb 0.26 -0.92 0.07 0.00 -0.71 0.00 0.00 33.22 31.93 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xdi n ALA 12 N -0.45 -3.61 0.31 3.04 0.00 -1.26 -4.85 120.51 113.68 2xdi n ALA 12 Ca 0.13 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2xdi n ALA 12 Cb 0.86 -3.26 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 2xdi n ALA 12 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2xdi h GLU 13 N 3.17 -0.79 -0.48 0.00 5.08 -1.95 -3.38 114.58 116.23 2xdi h GLU 13 Ca -0.23 0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 57.86 2xdi h GLU 13 Cb 1.21 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.24 2xdi h GLU 13 CO -0.20 -0.48 -1.01 0.94 -1.00 0.00 0.00 179.01 177.26 2xdi n GLN 14 N -5.34 2.17 -2.82 2.33 7.27 -1.26 -4.94 117.38 114.79 2xdi n GLN 14 Ca -0.11 -3.60 -0.19 0.00 0.07 0.00 0.00 57.00 53.17 2xdi n GLN 14 Cb 0.35 -1.70 0.03 0.00 2.41 0.00 0.00 30.24 31.32 2xdi n GLN 14 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2xdi n ARG 15 N -0.58 -3.76 0.12 3.69 3.00 -1.26 -4.89 116.66 112.98 2xdi n ARG 15 Ca 0.18 0.78 -0.01 0.00 -0.01 0.00 0.00 57.85 58.79 2xdi n ARG 15 Cb 0.87 -5.33 0.02 0.00 0.00 0.00 0.00 32.46 28.02 2xdi n ARG 15 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2xdi h HIS 16 N -1.01 0.00 0.00 -1.55 2.07 -1.92 -3.11 115.15 109.63 2xdi h HIS 16 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2xdi h HIS 16 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 2xdi h HIS 16 CO 0.44 0.68 0.00 0.37 -3.07 0.00 0.00 177.93 176.36 2xdi h GLN 17 N 0.00 0.00 -0.00 5.12 4.15 -1.90 -2.14 115.11 120.34 2xdi h GLN 17 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2xdi h GLN 17 Cb 1.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2xdi h GLN 17 CO 0.09 0.00 -0.09 0.39 -1.93 0.00 0.00 178.83 177.29 2xdi n GLU 18 N -2.81 0.14 0.00 1.69 1.02 -1.17 -2.78 120.64 116.73 2xdi n GLU 18 Ca 0.02 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 2xdi n GLU 18 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.06 0.35 -0.50 -0.32 2.91 -1.48 -2.48 115.95 114.49 2xdi h TRP 19 Ca 0.00 -0.24 -0.11 0.00 1.13 0.00 0.00 58.89 59.67 2xdi h TRP 19 Cb 0.45 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 2xdi h TRP 19 CO 0.00 1.15 -0.12 -0.07 -1.03 0.00 0.00 178.44 178.37 2xdi h LEU 20 N -0.55 0.97 -1.26 0.65 3.38 -1.64 0.44 115.31 117.30 2xdi h LEU 20 Ca -0.08 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.59 2xdi h LEU 20 Cb 1.33 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2xdi h LEU 20 CO 0.09 1.11 0.53 -0.09 0.09 0.00 0.00 178.44 180.17 2xdi h ARG 21 N 0.82 0.88 0.10 1.13 2.43 -1.60 1.40 114.38 119.52 2xdi h ARG 21 Ca 0.13 -0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 58.99 2xdi h ARG 21 Cb 0.69 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2xdi h ARG 21 CO 0.05 0.58 -1.17 0.35 -1.51 0.00 0.00 179.97 178.27 2xdi h PHE 22 N 0.90 0.40 -0.36 2.20 3.04 -0.95 -0.93 116.94 121.23 2xdi h PHE 22 Ca 0.35 -0.28 -0.13 0.00 3.98 0.00 0.00 57.97 61.89 2xdi h PHE 22 Cb 0.20 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2xdi h PHE 22 CO -0.00 1.21 -0.28 0.28 -2.02 0.00 0.00 178.31 177.50 2xdi h VAL 23 N 0.07 1.28 -0.08 1.41 2.07 0.15 0.26 116.25 121.41 2xdi h VAL 23 Ca -0.10 -1.42 -0.23 0.00 0.82 0.00 0.00 66.70 65.77 2xdi h VAL 23 Cb 1.90 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2xdi h VAL 23 CO 0.19 0.47 -0.86 0.44 0.02 0.00 0.00 177.57 177.82 2xdi h ASP 24 N 0.66 0.79 -0.25 0.57 3.45 0.18 0.55 116.42 122.37 2xdi h ASP 24 Ca 0.08 -0.56 -0.09 0.00 0.43 0.00 0.00 57.03 56.88 2xdi h ASP 24 Cb 0.81 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 2xdi h ASP 24 CO 0.07 1.35 -0.19 0.25 -1.57 0.00 0.00 179.24 179.15 2xdi h LEU 25 N 0.41 0.61 -0.02 1.55 7.12 -1.02 0.26 115.31 124.21 2xdi h LEU 25 Ca -0.07 -0.45 -0.00 0.00 0.13 0.00 0.00 57.88 57.48 2xdi h LEU 25 Cb 1.49 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.45 2xdi h LEU 25 CO 0.17 0.93 -0.00 0.25 -0.13 0.00 0.00 178.44 179.65 2xdi h LEU 26 N 0.30 0.04 -0.98 2.25 5.85 -0.48 -0.30 115.31 121.99 2xdi h LEU 26 Ca 0.05 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.55 2xdi h LEU 26 Cb 0.73 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2xdi h LEU 26 CO 0.05 0.36 0.61 0.50 -0.34 0.00 0.00 178.44 179.63 2xdi h LYS 27 N -0.28 0.94 0.00 1.25 3.11 0.16 0.97 116.57 122.71 2xdi h LYS 27 Ca 0.01 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 2xdi h LYS 27 Cb 0.34 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2xdi h LYS 27 CO 0.00 0.62 -0.15 -0.91 -2.81 0.00 0.00 179.45 176.20 2xdi h ASN 28 N 0.96 0.00 -0.20 4.20 2.35 -0.06 -2.07 115.58 120.78 2xdi h ASN 28 Ca 0.49 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.11 2xdi h ASN 28 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2xdi h ASN 28 CO -0.27 0.15 -0.36 0.00 -1.65 0.00 0.00 177.43 175.30 2xdi h ALA 29 N 1.85 0.31 -0.01 -0.83 0.00 0.27 -0.65 119.26 120.19 2xdi h ALA 29 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2xdi h ALA 29 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2xdi h ALA 29 CO 0.02 0.38 0.02 1.88 0.00 0.00 0.00 179.25 181.54 2xdi h TYR 30 N 0.26 0.00 0.09 0.00 0.99 -0.29 1.81 116.97 119.83 2xdi h TYR 30 Ca 0.01 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.42 2xdi h TYR 30 Cb 0.95 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.66 2xdi h TYR 30 CO 0.09 0.00 -1.73 0.37 -0.00 0.00 0.00 178.16 176.89 2xdi h GLN 31 N 0.00 0.19 0.00 4.88 4.15 -1.14 -3.34 115.11 119.85 2xdi h GLN 31 Ca 0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 2xdi h GLN 31 Cb 0.04 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2xdi h GLN 31 CO -0.00 0.99 -0.81 -0.91 -1.93 0.00 0.00 178.83 176.17 2xdi h ASN 32 N 0.05 0.00 -3.25 -0.69 2.35 -0.17 -3.48 115.58 110.40 2xdi h ASN 32 Ca -0.31 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.16 2xdi h ASN 32 Cb 2.02 0.00 0.04 0.00 0.05 0.00 0.00 38.32 40.44 2xdi h ASN 32 CO 0.12 0.04 -0.42 -0.67 -1.65 0.00 0.00 177.43 174.84 2xdi n ASP 33 N -2.78 -4.75 -0.07 5.81 2.03 0.61 -4.90 116.55 112.49 2xdi n ASP 33 Ca 0.00 -0.20 0.10 0.00 0.52 0.00 0.00 54.79 55.21 2xdi n ASP 33 Cb 0.56 -3.61 0.14 0.00 -0.72 0.00 0.00 41.12 37.49 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 -2.88 2.32 0.00 -2.67 -0.00 -1.21 -4.64 117.00 107.92 2xdi n LEU 34 Ca -0.08 -3.05 0.13 0.00 -0.00 0.00 0.00 56.01 53.01 2xdi n LEU 34 Cb 0.58 -0.42 0.63 0.00 -0.00 0.00 0.00 43.42 44.21 2xdi n LEU 34 CO 0.33 0.70 0.94 0.00 -0.00 0.00 0.00 177.39 179.36 2xdi n HIS 35 N -1.41 0.00 -0.24 1.47 1.44 -1.26 -4.23 115.22 111.00 2xdi n HIS 35 Ca 0.16 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.86 2xdi n HIS 35 Cb 0.64 -0.39 0.03 0.00 0.12 0.00 0.00 29.99 30.38 2xdi n HIS 35 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2xdi n LEU 36 N -1.39 -0.38 -0.13 2.39 7.99 -1.26 0.26 117.00 124.48 2xdi n LEU 36 Ca 0.10 1.08 -0.10 0.00 -0.01 0.00 0.00 56.01 57.07 2xdi n LEU 36 Cb 0.26 -0.25 -0.02 0.00 -0.11 0.00 0.00 43.42 43.30 2xdi n LEU 36 CO 0.23 -0.97 0.83 1.55 -1.51 0.00 0.00 177.39 177.52 2xdi h PRO 37 N 0.00 0.60 0.00 3.23 0.13 -1.99 0.37 132.00 134.34 2xdi h PRO 37 Ca 0.22 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2xdi h PRO 37 Cb 0.38 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2xdi h PRO 37 CO -0.62 0.67 0.00 -0.11 -0.23 0.00 0.00 178.00 177.71 2xdi n LEU 38 N -4.56 0.67 0.03 1.56 0.00 0.25 -1.14 117.00 113.80 2xdi n LEU 38 Ca -0.01 0.58 -0.19 0.00 0.00 0.00 0.00 56.01 56.39 2xdi n LEU 38 Cb 0.22 -0.38 -0.14 0.00 0.00 0.00 0.00 43.42 43.12 2xdi n LEU 38 CO 0.39 -0.21 -0.60 0.25 0.00 0.00 0.00 177.39 177.22 2xdi h LEU 39 N 0.00 0.39 0.12 -1.96 5.85 0.40 -2.15 115.31 117.96 2xdi h LEU 39 Ca 0.00 -0.71 -0.28 0.00 0.84 0.00 0.00 57.88 57.73 2xdi h LEU 39 Cb 0.65 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2xdi h LEU 39 CO 0.00 1.62 -1.25 -1.13 -0.34 0.00 0.00 178.44 177.34 2xdi h ASN 40 N 0.07 0.47 -0.19 1.25 -0.73 -0.26 1.49 115.58 117.66 2xdi h ASN 40 Ca -0.34 -0.49 -0.14 0.00 1.87 0.00 0.00 56.30 57.20 2xdi h ASN 40 Cb 2.04 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 40.47 2xdi h ASN 40 CO 0.12 1.38 -0.36 0.25 -0.37 0.00 0.00 177.43 178.45 2xdi h LEU 41 N 0.09 0.76 0.00 0.34 5.85 -1.27 -3.07 115.31 118.00 2xdi h LEU 41 Ca -0.14 -0.33 -0.23 0.00 0.84 0.00 0.00 57.88 58.02 2xdi h LEU 41 Cb 1.97 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 2xdi h LEU 41 CO 0.21 1.04 -1.35 0.00 -0.34 0.00 0.00 178.44 178.01 2xdi h MET 42 N 0.60 0.00 -5.27 1.25 -0.00 -1.37 -3.45 114.93 106.68 2xdi h MET 42 Ca 0.06 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 59.09 2xdi h MET 42 Cb 0.90 0.00 -0.30 0.00 -0.00 0.00 0.00 31.60 32.19 2xdi h MET 42 CO 0.08 0.63 -0.82 -0.48 -0.00 0.00 0.00 176.91 176.32 2xdi s LEU 43 N -6.28 2.42 0.00 -0.10 0.05 0.51 -4.57 118.68 110.72 2xdi s LEU 43 Ca -0.02 -0.46 0.00 0.00 0.05 0.00 0.00 54.13 53.70 2xdi s LEU 43 Cb 0.09 -1.53 0.00 0.00 -2.05 0.00 0.00 46.19 42.70 2xdi s LEU 43 CO 0.82 0.13 0.00 0.41 -0.55 0.00 0.00 176.35 177.16 2xdi n THR 44 N 3.74 0.00 0.17 5.48 -1.04 -1.26 -4.14 114.28 117.23 2xdi n THR 44 Ca -0.19 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 2xdi n THR 44 Cb 0.52 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.99 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2xdi h PRO 45 N 0.00 -0.49 0.00 -2.82 0.13 -1.89 -3.44 132.00 123.48 2xdi h PRO 45 Ca 0.00 0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 2xdi h PRO 45 Cb 0.00 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.19 2xdi h PRO 45 CO 0.00 -0.31 -0.20 -3.47 -0.23 0.00 0.00 178.00 173.79 2xdi n ASP 46 N -5.12 -0.17 -0.06 1.44 -0.08 -1.26 -4.89 116.55 106.42 2xdi n ASP 46 Ca -0.07 -1.44 -0.04 0.00 -1.51 0.00 0.00 54.79 51.74 2xdi n ASP 46 Cb 0.21 0.02 -0.03 0.00 2.34 0.00 0.00 41.12 43.66 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2xdi h GLU 47 N 0.06 0.00 0.00 -0.67 4.57 -1.86 -0.06 114.58 116.62 2xdi h GLU 47 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2xdi h GLU 47 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2xdi h GLU 47 CO -0.06 0.25 0.00 0.07 -1.18 0.00 0.00 179.01 178.09 2xdi h ARG 48 N -1.00 0.00 0.02 1.92 -0.00 -1.91 -0.33 114.38 113.08 2xdi h ARG 48 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.84 2xdi h ARG 48 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2xdi h ARG 48 CO -0.00 0.00 -0.71 1.49 -0.00 0.00 0.00 179.97 180.75 2xdi h GLU 49 N 0.00 0.04 -0.42 0.08 4.81 -1.90 -2.57 114.58 114.62 2xdi h GLU 49 Ca 0.00 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2xdi h GLU 49 Cb 0.29 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2xdi h GLU 49 CO 0.00 1.03 0.02 0.00 -0.73 0.00 0.00 179.01 179.33 2xdi h ALA 50 N -0.21 1.25 0.29 2.92 0.00 -0.76 0.79 119.26 123.54 2xdi h ALA 50 Ca -0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2xdi h ALA 50 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2xdi h ALA 50 CO -0.08 0.50 -0.14 1.25 0.00 0.00 0.00 179.25 180.79 2xdi h LEU 51 N 0.63 -0.33 -2.04 0.00 7.12 -1.19 -2.18 115.31 117.33 2xdi h LEU 51 Ca 0.13 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.27 2xdi h LEU 51 Cb 0.37 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2xdi h LEU 51 CO 0.01 -0.16 0.38 1.23 -0.13 0.00 0.00 178.44 179.77 2xdi h GLY 52 N -0.53 0.00 1.01 3.75 0.00 -1.43 0.18 103.07 106.05 2xdi h GLY 52 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2xdi h GLY 52 CO 0.06 0.00 0.45 -0.84 0.00 0.00 0.00 176.54 176.21 2xdi h THR 53 N 0.00 1.22 0.00 4.70 2.02 0.89 -2.00 112.91 119.75 2xdi h THR 53 Ca 0.19 -0.50 -0.17 0.00 0.77 0.00 0.00 66.41 66.70 2xdi h THR 53 Cb 0.94 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2xdi h THR 53 CO -0.00 0.23 -0.82 -0.09 0.37 0.00 0.00 175.52 175.21 2xdi h ARG 54 N 1.05 0.04 -0.61 6.66 2.43 -0.03 -2.42 114.38 121.49 2xdi h ARG 54 Ca 0.27 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2xdi h ARG 54 Cb -0.02 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2xdi h ARG 54 CO -0.05 0.83 0.37 0.28 -1.51 0.00 0.00 179.97 179.89 2xdi h VAL 55 N 0.02 1.06 0.04 0.20 2.07 -0.64 -0.76 116.25 118.23 2xdi h VAL 55 Ca -0.01 -0.25 -0.23 0.00 0.82 0.00 0.00 66.70 67.03 2xdi h VAL 55 Cb 1.44 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2xdi h VAL 55 CO 0.11 0.13 -1.01 0.08 0.02 0.00 0.00 177.57 176.90 2xdi h ARG 56 N 0.72 0.30 0.86 1.57 0.11 -1.41 -2.45 114.38 114.09 2xdi h ARG 56 Ca 0.25 -0.38 -0.04 0.00 0.10 0.00 0.00 59.98 59.91 2xdi h ARG 56 Cb 0.04 0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.25 2xdi h ARG 56 CO -0.11 1.09 -0.42 0.82 0.10 0.00 0.00 179.97 181.45 2xdi h ILE 57 N 0.15 0.00 -0.98 0.08 2.04 -0.93 0.54 117.51 118.40 2xdi h ILE 57 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2xdi h ILE 57 Cb 1.68 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 2xdi h ILE 57 CO 0.17 0.00 0.64 1.62 0.00 0.00 0.00 178.15 180.57 2xdi h VAL 58 N -1.16 1.08 0.72 1.67 3.04 -1.27 0.37 116.25 120.70 2xdi h VAL 58 Ca -0.12 -0.39 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 2xdi h VAL 58 Cb 0.89 -0.16 0.01 0.00 -2.01 0.00 0.00 31.29 30.02 2xdi h VAL 58 CO 0.19 0.21 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.54 2xdi h GLU 59 N 1.14 -0.93 -0.01 4.17 4.81 -1.17 -2.54 114.58 120.05 2xdi h GLU 59 Ca 0.42 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2xdi h GLU 59 Cb 0.18 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2xdi h GLU 59 CO -0.17 -0.59 0.01 0.93 -0.73 0.00 0.00 179.01 178.46 2xdi h GLU 60 N -1.13 0.00 -0.43 1.92 3.07 0.35 -0.57 114.58 117.79 2xdi h GLU 60 Ca -0.10 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2xdi h GLU 60 Cb 0.76 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2xdi h GLU 60 CO 0.16 0.00 0.23 1.25 -1.40 0.00 0.00 179.01 179.25 2xdi h LEU 61 N 0.00 0.34 -0.64 1.33 5.85 0.09 2.24 115.31 124.51 2xdi h LEU 61 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2xdi h LEU 61 Cb 0.02 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2xdi h LEU 61 CO -0.00 0.24 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.97 2xdi h LEU 62 N 0.45 0.00 0.23 2.25 3.38 -0.89 -3.15 115.31 117.58 2xdi h LEU 62 Ca 0.18 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.83 2xdi h LEU 62 Cb 0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.85 2xdi h LEU 62 CO -0.12 0.30 -1.45 0.03 0.09 0.00 0.00 178.44 177.29 2xdi h ARG 63 N 0.00 0.48 -4.78 1.13 2.47 0.49 -3.46 114.38 110.71 2xdi h ARG 63 Ca -0.00 -0.83 -0.00 0.00 -1.26 0.00 0.00 59.98 57.89 2xdi h ARG 63 Cb 0.99 0.31 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2xdi h ARG 63 CO 0.04 1.39 -0.01 0.41 0.56 0.00 0.00 179.97 182.37 2xdi n GLY 64 N 1.69 -0.47 0.00 0.04 0.00 0.74 -4.62 105.19 102.58 2xdi n GLY 64 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 2.75 -1.45 1.61 0.00 -1.26 -4.32 120.64 115.56 2xdi n GLU 65 Ca -0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 57.16 56.61 2xdi n GLU 65 Cb 0.47 -0.77 -0.07 0.00 0.00 0.00 0.00 31.44 31.07 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 -0.47 3.04 -1.25 3.44 2.81 -1.26 -4.62 117.12 118.81 2xdi n MET 66 Ca 0.00 -2.24 -0.10 0.00 -1.81 0.00 0.00 57.70 53.54 2xdi n MET 66 Cb 0.00 -2.33 -0.04 0.00 -0.71 0.00 0.00 33.22 30.14 2xdi n MET 66 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2xdi n SER 67 N 1.94 -5.13 -0.07 7.83 7.64 -1.26 -4.81 113.62 119.75 2xdi n SER 67 Ca 0.56 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.56 2xdi n SER 67 Cb 0.52 -3.86 -0.06 0.00 -1.01 0.00 0.00 64.21 59.81 2xdi n SER 67 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2xdi h GLN 68 N 0.00 0.53 0.00 1.43 1.08 -1.82 -1.68 115.11 114.66 2xdi h GLN 68 Ca -0.21 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2xdi h GLN 68 Cb 1.07 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2xdi h GLN 68 CO 0.31 0.88 0.00 -2.13 -0.95 0.00 0.00 178.83 176.94 2xdi n ARG 69 N -4.39 0.60 -0.04 1.46 3.00 -1.26 -2.94 116.66 113.08 2xdi n ARG 69 Ca -0.05 0.03 0.01 0.00 -0.00 0.00 0.00 57.85 57.83 2xdi n ARG 69 Cb 0.43 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.26 2xdi n ARG 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2xdi n GLU 70 N -1.12 0.92 0.00 -0.14 2.13 -1.03 -4.31 120.64 117.09 2xdi n GLU 70 Ca 0.16 -0.09 0.14 0.00 0.66 0.00 0.00 57.16 58.03 2xdi n GLU 70 Cb 0.13 -1.42 0.60 0.00 0.27 0.00 0.00 31.44 31.03 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2xdi n LEU 71 N -2.35 1.16 -0.03 4.31 4.32 -0.66 -3.68 117.00 120.08 2xdi n LEU 71 Ca -0.14 -0.38 0.15 0.00 -0.02 0.00 0.00 56.01 55.62 2xdi n LEU 71 Cb 0.73 -0.01 0.76 0.00 -1.62 0.00 0.00 43.42 43.29 2xdi n LEU 71 CO 0.36 0.19 1.01 2.29 -1.22 0.00 0.00 177.39 180.02 2xdi n LYS 72 N -0.12 0.59 -0.26 3.23 2.85 -1.22 -3.49 118.16 119.75 2xdi n LYS 72 Ca 0.20 -0.05 0.04 0.00 -1.05 0.00 0.00 58.31 57.44 2xdi n LYS 72 Cb 0.30 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.36 2xdi n LYS 72 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2xdi h ASN 73 N 0.13 0.39 -0.63 -5.58 -1.24 -1.85 1.04 115.58 107.84 2xdi h ASN 73 Ca 0.00 0.09 -0.13 0.00 0.71 0.00 0.00 56.30 56.97 2xdi h ASN 73 Cb 0.25 0.03 -0.08 0.00 0.73 0.00 0.00 38.32 39.26 2xdi h ASN 73 CO 0.00 0.19 0.16 -0.62 -1.29 0.00 0.00 177.43 175.87 2xdi n GLU 74 N -4.93 3.91 -4.20 6.67 1.02 -1.25 -4.91 120.64 116.97 2xdi n GLU 74 Ca 0.13 -2.85 -0.29 0.00 -0.02 0.00 0.00 57.16 54.14 2xdi n GLU 74 Cb 0.36 -2.17 -0.09 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.14 -1.18 -3.90 -0.32 3.72 0.36 -4.89 117.46 111.39 2xdi n PHE 75 Ca 0.33 0.56 -0.30 0.00 -0.05 0.00 0.00 57.45 57.99 2xdi n PHE 75 Cb 1.25 -2.61 -0.15 0.00 -0.94 0.00 0.00 39.48 37.02 2xdi n PHE 75 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2xdi s GLY 76 N -4.29 1.54 0.00 1.37 0.00 -1.23 -4.76 107.32 99.95 2xdi s GLY 76 Ca 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 44.72 42.63 2xdi s GLY 76 CO 0.93 1.20 0.00 0.00 0.00 0.00 0.00 173.10 175.23 2xdi n ALA 77 N 4.52 0.00 -1.04 3.20 0.00 -1.26 -4.73 120.51 121.20 2xdi n ALA 77 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2xdi n ALA 77 Cb 0.42 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 4.51 0.02 0.00 0.00 -1.26 -4.50 105.19 103.97 2xdi n GLY 78 Ca 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.03 0.00 0.00 -0.61 -0.00 -1.26 -2.85 119.36 113.61 2xdi n ILE 79 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.92 2xdi n ILE 79 Cb 0.75 -0.23 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2xdi n ALA 80 N -1.37 1.63 0.06 -1.39 0.00 -1.26 -4.62 120.51 113.56 2xdi n ALA 80 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 2xdi n ALA 80 Cb 0.32 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 2xdi n ALA 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2xdi h THR 81 N 0.00 0.93 0.00 0.00 2.02 -1.79 -1.26 112.91 112.81 2xdi h THR 81 Ca 0.00 -2.50 -0.12 0.00 0.77 0.00 0.00 66.41 64.56 2xdi h THR 81 Cb 0.52 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2xdi h THR 81 CO 0.00 0.53 -0.58 0.40 0.37 0.00 0.00 175.52 176.23 2xdi h ILE 82 N 0.00 1.09 0.00 3.11 2.04 -1.82 -3.30 117.51 118.63 2xdi h ILE 82 Ca -0.11 -2.30 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 2xdi h ILE 82 Cb 1.66 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 40.04 2xdi h ILE 82 CO 0.08 0.57 -0.47 0.35 0.00 0.00 0.00 178.15 178.68 2xdi n THR 83 N -3.36 1.58 0.00 -0.27 -2.24 -1.25 -5.06 114.28 103.68 2xdi n THR 83 Ca 0.01 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 2xdi n THR 83 Cb 0.71 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2xdi n THR 83 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2xdi n ARG 84 N -0.83 0.18 -2.83 -0.78 1.85 -0.47 -4.80 116.66 108.97 2xdi n ARG 84 Ca 0.15 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.56 2xdi n ARG 84 Cb 0.76 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.17 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2xdi n GLY 85 N 0.00 4.25 0.00 2.89 0.00 -1.26 -4.93 105.19 106.14 2xdi n GLY 85 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 3.87 0.52 -4.53 1.61 2.88 -1.26 -5.13 113.62 111.58 2xdi n SER 86 Ca 0.34 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.54 2xdi n SER 86 Cb 0.38 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 2xdi n SER 86 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2xdi s ASN 87 N 1.00 4.96 0.00 -3.46 2.20 -1.26 -5.02 114.94 113.35 2xdi s ASN 87 Ca 0.00 -0.08 0.00 0.00 -0.94 0.00 0.00 52.86 51.84 2xdi s ASN 87 Cb 0.00 -1.80 0.00 0.00 -2.00 0.00 0.00 41.25 37.45 2xdi s ASN 87 CO 0.00 0.18 0.00 -0.24 -2.94 0.00 0.00 177.10 174.10 2xdi n SER 88 N 3.48 0.00 0.03 3.54 2.88 -1.26 -4.49 113.62 117.80 2xdi n SER 88 Ca -0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 2xdi n SER 88 Cb 0.52 -0.45 0.55 0.00 -0.75 0.00 0.00 64.21 64.08 2xdi n SER 88 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2xdi n LEU 89 N -2.43 0.19 0.00 2.46 7.94 -1.26 -2.62 117.00 121.28 2xdi n LEU 89 Ca 0.00 0.52 0.13 0.00 -1.11 0.00 0.00 56.01 55.55 2xdi n LEU 89 Cb 0.00 -0.46 0.76 0.00 0.53 0.00 0.00 43.42 44.25 2xdi n LEU 89 CO 0.00 -0.07 0.97 1.17 -1.11 0.00 0.00 177.39 178.35 2xdi n LYS 90 N -1.68 0.69 0.00 1.96 3.00 -1.26 -3.14 118.16 117.73 2xdi n LYS 90 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2xdi n LYS 90 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.88 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2xdi n ALA 91 N -1.09 1.86 -2.55 3.14 0.00 -1.08 -5.07 120.51 115.73 2xdi n ALA 91 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 2xdi n ALA 91 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.42 -2.21 -0.10 0.00 0.00 -1.14 -4.83 120.51 110.81 2xdi n ALA 92 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2xdi n ALA 92 Cb 0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 0.36 0.91 -0.08 0.00 0.13 -1.90 -1.69 132.00 129.73 2xdi h PRO 93 Ca 0.00 -0.54 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2xdi h PRO 93 Cb 0.98 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2xdi h PRO 93 CO 0.20 1.18 0.24 0.28 -0.23 0.00 0.00 178.00 179.67 2xdi h VAL 94 N 0.71 0.14 0.17 1.56 2.07 -1.92 0.69 116.25 119.67 2xdi h VAL 94 Ca 0.03 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.26 2xdi h VAL 94 Cb 1.09 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2xdi h VAL 94 CO 0.11 0.00 -1.42 -0.33 0.02 0.00 0.00 177.57 175.96 2xdi h GLU 95 N 0.00 0.36 -0.58 1.57 5.08 -1.67 -3.05 114.58 116.28 2xdi h GLU 95 Ca 0.04 -0.61 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 2xdi h GLU 95 Cb 0.52 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2xdi h GLU 95 CO -0.00 1.29 -0.01 1.25 -1.00 0.00 0.00 179.01 180.54 2xdi h LEU 96 N -0.11 0.99 -1.51 1.33 6.46 0.04 -2.16 115.31 120.35 2xdi h LEU 96 Ca -0.28 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2xdi h LEU 96 Cb 1.92 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 2xdi h LEU 96 CO 0.15 1.05 0.26 -0.09 -0.62 0.00 0.00 178.44 179.19 2xdi h ARG 97 N 0.93 0.59 0.91 1.25 2.43 0.11 0.43 114.38 121.02 2xdi h ARG 97 Ca 0.17 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2xdi h ARG 97 Cb 0.55 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2xdi h ARG 97 CO 0.03 0.42 -0.44 1.96 -1.51 0.00 0.00 179.97 180.43 2xdi h GLN 98 N 0.60 -1.18 -0.93 0.20 1.08 -1.28 1.43 115.11 115.03 2xdi h GLN 98 Ca 0.16 0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2xdi h GLN 98 Cb -0.01 0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 2xdi h GLN 98 CO -0.03 -0.78 0.58 2.35 -0.95 0.00 0.00 178.83 180.00 2xdi h TRP 99 N -1.28 1.22 -0.85 2.96 7.01 -1.24 -1.14 115.95 122.62 2xdi h TRP 99 Ca -0.12 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.86 2xdi h TRP 99 Cb 0.94 -0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 27.56 2xdi h TRP 99 CO -0.00 0.80 0.43 1.25 -2.79 0.00 0.00 178.44 178.12 2xdi h LEU 100 N 1.28 1.09 -1.37 0.65 5.85 0.10 -1.39 115.31 121.53 2xdi h LEU 100 Ca 0.34 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2xdi h LEU 100 Cb -0.08 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 2xdi h LEU 100 CO -0.07 0.90 0.47 -0.08 -0.34 0.00 0.00 178.44 179.32 2xdi h GLU 101 N 1.21 0.77 -0.53 1.25 4.81 0.32 0.90 114.58 123.30 2xdi h GLU 101 Ca 0.30 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2xdi h GLU 101 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2xdi h GLU 101 CO -0.04 0.51 0.02 1.49 -0.73 0.00 0.00 179.01 180.26 2xdi h GLU 102 N 0.80 0.93 0.00 1.92 4.81 -0.58 1.84 114.58 124.29 2xdi h GLU 102 Ca 0.29 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2xdi h GLU 102 Cb 0.16 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2xdi h GLU 102 CO -0.09 0.94 -0.22 0.28 -0.73 0.00 0.00 179.01 179.19 2xdi h VAL 103 N 0.81 0.48 0.20 0.32 2.07 -0.46 0.16 116.25 119.83 2xdi h VAL 103 Ca 0.15 -1.19 -0.35 0.00 0.82 0.00 0.00 66.70 66.14 2xdi h VAL 103 Cb 0.51 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2xdi h VAL 103 CO 0.02 0.21 -1.69 0.25 0.02 0.00 0.00 177.57 176.38 2xdi h LEU 104 N 0.00 0.65 -1.78 2.57 7.12 0.18 -3.23 115.31 120.81 2xdi h LEU 104 Ca -0.00 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.07 2xdi h LEU 104 Cb 0.83 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2xdi h LEU 104 CO 0.03 1.77 0.00 0.18 -0.13 0.00 0.00 178.44 180.29 2xdi n LEU 105 N -3.63 2.61 -4.68 2.25 4.77 0.62 -4.92 117.00 114.01 2xdi n LEU 105 Ca -0.24 -1.32 -0.46 0.00 -0.03 0.00 0.00 56.01 53.97 2xdi n LEU 105 Cb 1.07 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 2xdi n LEU 105 CO 0.52 0.47 1.28 1.17 -1.33 0.00 0.00 177.39 179.51 2xdi n LYS 106 N 0.46 2.26 0.20 3.23 4.81 0.55 -4.86 118.16 124.82 2xdi n LYS 106 Ca 0.13 0.82 0.10 0.00 -0.87 0.00 0.00 58.31 58.49 2xdi n LYS 106 Cb 0.50 -2.62 0.14 0.00 0.02 0.00 0.00 35.03 33.07 2xdi n LYS 106 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2xdi h SER 107 N 6.78 0.00 -0.00 3.14 0.02 -1.91 -3.50 113.55 118.07 2xdi h SER 107 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2xdi h SER 107 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2xdi h SER 107 CO 0.91 0.10 0.00 -0.67 -1.14 0.00 0.00 176.83 176.03