#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 2.44 0.92 2.61 0.01 -1.26 -5.14 113.70 113.28 2xdi s SER 5 Ca 0.00 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 2xdi s SER 5 Cb 0.00 0.09 0.14 0.00 0.21 0.00 0.00 66.02 66.46 2xdi s SER 5 CO 0.00 -0.40 1.10 -2.16 0.41 0.00 0.00 173.24 172.20 2xdi s PRO 6 N 2.23 1.04 0.00 12.44 0.04 -1.26 -4.98 135.00 144.51 2xdi s PRO 6 Ca 0.08 0.54 0.14 0.00 0.04 0.00 0.00 61.00 61.80 2xdi s PRO 6 Cb -0.15 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.77 2xdi s PRO 6 CO -0.30 -2.32 1.04 0.66 0.04 0.00 0.00 177.00 176.13 2xdi n TYR 7 N -3.89 0.17 -3.82 0.56 4.01 -1.26 -5.03 117.16 107.89 2xdi n TYR 7 Ca 0.06 -0.15 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 2xdi n TYR 7 Cb 0.57 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.60 2xdi n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2xdi s SER 8 N -1.10 -0.08 -0.29 7.72 0.01 -1.26 -5.09 113.70 113.61 2xdi s SER 8 Ca 0.20 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.80 2xdi s SER 8 Cb 0.12 0.61 0.16 0.00 0.21 0.00 0.00 66.02 67.12 2xdi s SER 8 CO 0.18 -1.17 1.10 0.00 0.41 0.00 0.00 173.24 173.75 2xdi n ALA 9 N -0.56 -0.95 -0.65 1.44 0.00 -1.26 -5.15 120.51 113.38 2xdi n ALA 9 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 53.44 52.77 2xdi n ALA 9 Cb 0.60 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.57 -0.30 1.86 0.00 0.00 -1.26 -3.13 120.51 117.12 2xdi n ALA 10 Ca -0.17 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.36 2xdi n ALA 10 Cb 0.70 -0.10 0.33 0.00 0.00 0.00 0.00 19.45 20.38 2xdi n ALA 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2xdi n MET 11 N -1.41 1.12 -3.24 0.00 1.56 -1.26 -4.59 117.12 109.30 2xdi n MET 11 Ca 0.00 -0.18 -0.46 0.00 -0.27 0.00 0.00 57.70 56.79 2xdi n MET 11 Cb 0.04 -1.20 -0.03 0.00 2.15 0.00 0.00 33.22 34.18 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2xdi s ALA 12 N -1.95 3.81 -0.23 -5.12 0.00 -1.18 -4.85 121.76 112.23 2xdi s ALA 12 Ca 0.19 -2.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.02 2xdi s ALA 12 Cb 0.09 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 2xdi s ALA 12 CO 0.14 -2.34 0.01 -1.91 0.00 0.00 0.00 175.76 171.67 2xdi n GLU 13 N 4.91 0.57 0.00 0.00 2.13 -1.26 -4.41 120.64 122.59 2xdi n GLU 13 Ca 0.07 0.47 0.12 0.00 0.66 0.00 0.00 57.16 58.47 2xdi n GLU 13 Cb 0.45 -1.66 0.18 0.00 0.27 0.00 0.00 31.44 30.69 2xdi n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2xdi n GLN 14 N -4.38 0.92 -0.86 5.31 0.00 -1.26 -4.92 117.38 112.19 2xdi n GLN 14 Ca -0.39 -0.66 0.00 0.00 -0.00 0.00 0.00 57.00 55.95 2xdi n GLN 14 Cb 0.74 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.49 2xdi n GLN 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2xdi n ARG 15 N -0.46 -0.45 0.19 3.69 3.00 -1.26 -4.81 116.66 116.56 2xdi n ARG 15 Ca 0.10 0.11 0.14 0.00 -0.00 0.00 0.00 57.85 58.20 2xdi n ARG 15 Cb 0.40 -3.72 0.41 0.00 0.00 0.00 0.00 32.46 29.55 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 0.00 0.00 0.00 -0.14 2.76 -1.95 -2.78 115.15 113.03 2xdi h HIS 16 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2xdi h HIS 16 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2xdi h HIS 16 CO 0.14 0.00 -0.17 0.94 -1.30 0.00 0.00 177.93 177.54 2xdi n GLN 17 N -2.75 0.11 0.02 5.26 7.27 -1.26 -2.90 117.38 123.13 2xdi n GLN 17 Ca 0.03 0.07 0.13 0.00 0.07 0.00 0.00 57.00 57.30 2xdi n GLN 17 Cb 0.40 -1.61 0.38 0.00 2.41 0.00 0.00 30.24 31.82 2xdi n GLN 17 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2xdi n GLU 18 N -1.79 0.08 0.00 3.69 4.07 -1.05 -2.60 120.64 123.04 2xdi n GLU 18 Ca 0.06 0.04 -0.17 0.00 -0.06 0.00 0.00 57.16 57.02 2xdi n GLU 18 Cb 0.38 -1.56 -0.13 0.00 -0.06 0.00 0.00 31.44 30.06 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2xdi h TRP 19 N 0.00 0.38 -0.20 4.31 2.91 -1.63 -2.36 115.95 119.37 2xdi h TRP 19 Ca 0.00 -0.25 -0.15 0.00 1.13 0.00 0.00 58.89 59.63 2xdi h TRP 19 Cb 0.57 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 2xdi h TRP 19 CO 0.00 1.14 -0.49 -0.07 -1.03 0.00 0.00 178.44 177.99 2xdi h LEU 20 N -0.49 0.57 -1.46 0.65 3.38 -1.69 0.19 115.31 116.47 2xdi h LEU 20 Ca -0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2xdi h LEU 20 Cb 1.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2xdi h LEU 20 CO 0.09 0.97 -0.02 -0.09 0.09 0.00 0.00 178.44 179.48 2xdi h ARG 21 N 0.42 0.32 0.00 1.13 2.43 -1.56 1.39 114.38 118.50 2xdi h ARG 21 Ca 0.02 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.93 2xdi h ARG 21 Cb 1.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2xdi h ARG 21 CO 0.09 0.37 -1.27 0.35 -1.51 0.00 0.00 179.97 177.99 2xdi h PHE 22 N 0.31 0.00 0.02 2.20 3.04 -1.07 -1.68 116.94 119.76 2xdi h PHE 22 Ca 0.07 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.81 2xdi h PHE 22 Cb 0.25 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 2xdi h PHE 22 CO 0.01 0.76 -1.00 0.28 -2.02 0.00 0.00 178.31 176.34 2xdi h VAL 23 N 0.00 1.63 0.20 1.41 2.07 0.23 -2.41 116.25 119.39 2xdi h VAL 23 Ca -0.14 -3.18 -0.35 0.00 0.82 0.00 0.00 66.70 63.85 2xdi h VAL 23 Cb 1.71 2.77 0.02 0.00 -1.52 0.00 0.00 31.29 34.27 2xdi h VAL 23 CO 0.07 0.91 -1.66 0.44 0.02 0.00 0.00 177.57 177.35 2xdi h ASP 24 N 0.03 0.67 -0.24 0.57 3.32 0.18 -1.45 116.42 119.50 2xdi h ASP 24 Ca -0.04 -0.91 -0.02 0.00 0.02 0.00 0.00 57.03 56.08 2xdi h ASP 24 Cb 1.73 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 2xdi h ASP 24 CO 0.14 1.75 0.05 -0.07 -1.72 0.00 0.00 179.24 179.39 2xdi h LEU 25 N 0.12 0.37 0.07 1.55 -0.00 -1.40 0.24 115.31 116.26 2xdi h LEU 25 Ca -0.31 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2xdi h LEU 25 Cb 2.12 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2xdi h LEU 25 CO 0.21 0.51 -0.03 0.25 -0.00 0.00 0.00 178.44 179.38 2xdi h LEU 26 N 0.21 -0.08 -0.53 1.67 5.85 -1.54 0.12 115.31 121.01 2xdi h LEU 26 Ca 0.08 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2xdi h LEU 26 Cb 0.29 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 2xdi h LEU 26 CO 0.00 0.01 -0.14 0.11 -0.34 0.00 0.00 178.44 178.09 2xdi h LYS 27 N -0.17 -0.00 -0.40 1.25 1.57 -1.04 1.38 116.57 119.16 2xdi h LYS 27 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2xdi h LYS 27 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2xdi h LYS 27 CO 0.02 -0.00 0.28 -0.97 -0.57 0.00 0.00 179.45 178.20 2xdi h ASN 28 N -0.01 0.20 0.77 0.86 -0.73 0.09 0.93 115.58 117.70 2xdi h ASN 28 Ca 0.25 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.23 2xdi h ASN 28 Cb 0.39 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 2xdi h ASN 28 CO -0.55 0.13 -0.90 0.00 -0.37 0.00 0.00 177.43 175.75 2xdi h ALA 29 N 1.79 0.52 0.00 1.57 0.00 0.41 -2.98 119.26 120.57 2xdi h ALA 29 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2xdi h ALA 29 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2xdi h ALA 29 CO -0.03 1.03 0.00 1.88 0.00 0.00 0.00 179.25 182.12 2xdi h TYR 30 N 0.04 0.00 0.22 0.00 0.99 0.28 0.62 116.97 119.11 2xdi h TYR 30 Ca -0.03 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.39 2xdi h TYR 30 Cb 1.56 0.00 0.03 0.00 1.00 0.00 0.00 36.73 39.32 2xdi h TYR 30 CO 0.01 0.00 -1.45 0.37 -0.00 0.00 0.00 178.16 177.10 2xdi h GLN 31 N 0.00 0.46 -0.40 4.88 4.15 -1.04 -3.33 115.11 119.83 2xdi h GLN 31 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 58.65 58.64 2xdi h GLN 31 Cb 0.67 0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2xdi h GLN 31 CO 0.00 1.37 0.00 -1.71 -1.93 0.00 0.00 178.83 176.56 2xdi n ASN 32 N -3.77 3.29 -3.65 -0.69 4.05 -1.14 -4.96 115.26 108.40 2xdi n ASN 32 Ca -0.19 -1.94 -0.23 0.00 0.45 0.00 0.00 54.58 52.67 2xdi n ASN 32 Cb 1.05 -0.26 0.06 0.00 1.23 0.00 0.00 39.78 41.86 2xdi n ASN 32 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2xdi n ASP 33 N 1.24 -4.06 -0.87 1.20 8.00 0.19 -4.87 116.55 117.38 2xdi n ASP 33 Ca 0.17 -0.66 0.12 0.00 0.71 0.00 0.00 54.79 55.13 2xdi n ASP 33 Cb 0.54 -4.63 0.28 0.00 -0.02 0.00 0.00 41.12 37.28 2xdi n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2xdi n LEU 34 N -4.60 2.64 -0.61 0.64 4.77 0.15 -3.96 117.00 116.03 2xdi n LEU 34 Ca -0.11 -1.07 0.12 0.00 -0.03 0.00 0.00 56.01 54.92 2xdi n LEU 34 Cb 0.60 -0.15 0.40 0.00 -2.33 0.00 0.00 43.42 41.94 2xdi n LEU 34 CO 0.67 0.54 0.80 0.00 -1.33 0.00 0.00 177.39 178.06 2xdi n HIS 35 N 0.98 0.12 -0.19 -1.77 1.44 -1.25 -4.30 115.22 110.24 2xdi n HIS 35 Ca 0.17 -0.06 -0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2xdi n HIS 35 Cb 0.49 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.71 2xdi n HIS 35 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2xdi h LEU 36 N 2.70 0.11 -0.37 2.39 5.85 -1.92 1.61 115.31 125.68 2xdi h LEU 36 Ca 0.00 0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 2xdi h LEU 36 Cb 0.58 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2xdi h LEU 36 CO 0.00 0.07 -0.55 1.55 -0.34 0.00 0.00 178.44 179.17 2xdi h PRO 37 N 0.33 0.76 0.00 5.25 0.13 -1.91 -1.96 132.00 134.59 2xdi h PRO 37 Ca 0.30 -0.48 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 2xdi h PRO 37 Cb 0.41 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2xdi h PRO 37 CO -0.34 1.11 -0.35 1.25 -0.23 0.00 0.00 178.00 179.44 2xdi h LEU 38 N 0.58 0.00 -0.31 1.56 6.46 -1.58 0.09 115.31 122.11 2xdi h LEU 38 Ca 0.01 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.57 2xdi h LEU 38 Cb 1.14 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2xdi h LEU 38 CO 0.12 0.35 -0.81 0.25 -0.62 0.00 0.00 178.44 177.72 2xdi h LEU 39 N 0.00 0.51 0.10 2.25 5.85 0.25 0.17 115.31 124.44 2xdi h LEU 39 Ca -0.00 -0.36 -0.27 0.00 0.84 0.00 0.00 57.88 58.08 2xdi h LEU 39 Cb 1.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2xdi h LEU 39 CO 0.05 1.13 -1.30 0.78 -0.34 0.00 0.00 178.44 178.76 2xdi h ASN 40 N 0.26 0.32 0.19 1.25 2.35 -1.25 2.05 115.58 120.75 2xdi h ASN 40 Ca -0.05 -0.37 -0.14 0.00 -0.55 0.00 0.00 56.30 55.19 2xdi h ASN 40 Cb 1.41 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2xdi h ASN 40 CO 0.14 1.30 -0.51 0.25 -1.65 0.00 0.00 177.43 176.96 2xdi h LEU 41 N 0.06 0.39 0.00 1.61 5.85 -0.95 -3.14 115.31 119.13 2xdi h LEU 41 Ca -0.15 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2xdi h LEU 41 Cb 1.95 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2xdi h LEU 41 CO 0.17 0.83 -1.68 0.23 -0.34 0.00 0.00 178.44 177.66 2xdi n MET 42 N -3.96 0.48 -1.32 1.25 2.81 0.60 -4.99 117.12 112.00 2xdi n MET 42 Ca -0.02 -0.14 -0.43 0.00 -1.81 0.00 0.00 57.70 55.30 2xdi n MET 42 Cb 0.56 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 2xdi n MET 42 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2xdi n LEU 43 N -2.02 -2.58 -3.61 4.03 0.00 0.69 -4.97 117.00 108.54 2xdi n LEU 43 Ca -0.02 0.86 -0.13 0.00 0.00 0.00 0.00 56.01 56.73 2xdi n LEU 43 Cb 0.49 -0.90 -0.05 0.00 0.00 0.00 0.00 43.42 42.96 2xdi n LEU 43 CO 0.44 -4.00 0.22 0.42 0.00 0.00 0.00 177.39 174.48 2xdi s THR 44 N -1.57 0.04 -0.05 1.96 -4.23 -1.26 -4.98 115.64 105.56 2xdi s THR 44 Ca 0.60 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 2xdi s THR 44 Cb -0.68 -1.00 -0.17 0.00 1.34 0.00 0.00 72.50 71.98 2xdi s THR 44 CO 0.62 -0.20 0.98 1.55 -0.54 0.00 0.00 174.62 177.02 2xdi h PRO 45 N 2.74 -0.16 -0.05 3.99 0.13 -2.01 -3.10 132.00 133.55 2xdi h PRO 45 Ca -0.32 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2xdi h PRO 45 Cb 1.22 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2xdi h PRO 45 CO 0.43 0.31 0.09 -0.44 -0.23 0.00 0.00 178.00 178.15 2xdi h ASP 46 N -0.78 0.00 -0.30 1.44 5.19 -1.98 -1.08 116.42 118.91 2xdi h ASP 46 Ca -0.02 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2xdi h ASP 46 Cb 0.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2xdi h ASP 46 CO 0.03 0.00 -0.01 -0.33 -3.12 0.00 0.00 179.24 175.81 2xdi h GLU 47 N 0.00 0.54 -0.10 3.56 5.08 -1.95 0.77 114.58 122.48 2xdi h GLU 47 Ca 0.02 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2xdi h GLU 47 Cb 0.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2xdi h GLU 47 CO -0.00 0.69 -0.60 -0.09 -1.00 0.00 0.00 179.01 178.01 2xdi h ARG 48 N 0.33 0.33 -0.25 2.33 2.43 -1.23 0.22 114.38 118.55 2xdi h ARG 48 Ca 0.08 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 2xdi h ARG 48 Cb 0.45 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2xdi h ARG 48 CO 0.02 0.84 -0.37 1.49 -1.51 0.00 0.00 179.97 180.44 2xdi h GLU 49 N 0.25 0.69 -0.26 0.20 4.81 -1.05 -2.03 114.58 117.19 2xdi h GLU 49 Ca -0.01 -0.41 -0.17 0.00 -0.13 0.00 0.00 59.36 58.65 2xdi h GLU 49 Cb 1.12 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2xdi h GLU 49 CO 0.10 1.03 -0.48 0.00 -0.73 0.00 0.00 179.01 178.93 2xdi h ALA 50 N 0.66 0.41 -0.32 2.92 0.00 0.66 -0.25 119.26 123.34 2xdi h ALA 50 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2xdi h ALA 50 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2xdi h ALA 50 CO 0.09 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.20 2xdi n LEU 51 N -4.10 0.00 -0.34 0.00 7.99 0.76 -0.03 117.00 121.28 2xdi n LEU 51 Ca -0.05 0.95 0.26 0.00 -0.01 0.00 0.00 56.01 57.16 2xdi n LEU 51 Cb 0.59 -0.45 0.55 0.00 -0.11 0.00 0.00 43.42 44.01 2xdi n LEU 51 CO 0.49 -0.45 1.23 1.23 -1.51 0.00 0.00 177.39 178.38 2xdi h GLY 52 N 0.00 1.10 0.96 -0.72 0.00 -1.47 0.36 103.07 103.31 2xdi h GLY 52 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.17 2xdi h GLY 52 CO 0.00 -0.16 0.15 -0.84 0.00 0.00 0.00 176.54 175.69 2xdi h THR 53 N 0.31 1.04 -0.86 4.70 2.02 -0.23 -2.10 112.91 117.79 2xdi h THR 53 Ca 0.62 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.75 2xdi h THR 53 Cb 1.73 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 2xdi h THR 53 CO -0.28 0.06 0.54 0.03 0.37 0.00 0.00 175.52 176.23 2xdi h ARG 54 N 0.32 0.97 -0.72 6.66 -0.00 0.34 0.23 114.38 122.18 2xdi h ARG 54 Ca 0.10 -0.06 0.12 0.00 -0.50 0.00 0.00 59.98 59.64 2xdi h ARG 54 Cb -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 29.97 29.65 2xdi h ARG 54 CO -0.04 0.64 0.31 0.28 0.00 0.00 0.00 179.97 181.16 2xdi h VAL 55 N 1.00 0.74 0.04 2.04 2.07 -0.83 0.30 116.25 121.60 2xdi h VAL 55 Ca 0.37 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2xdi h VAL 55 Cb 0.13 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2xdi h VAL 55 CO -0.16 0.09 -0.02 -0.09 0.02 0.00 0.00 177.57 177.41 2xdi h ARG 56 N 0.49 -0.05 -0.18 1.57 2.43 -0.91 0.69 114.38 118.42 2xdi h ARG 56 Ca 0.38 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.58 2xdi h ARG 56 Cb 0.51 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2xdi h ARG 56 CO -0.34 0.50 -0.46 0.82 -1.51 0.00 0.00 179.97 178.97 2xdi h ILE 57 N -0.64 0.00 -0.80 1.20 1.08 -0.44 0.30 117.51 118.21 2xdi h ILE 57 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2xdi h ILE 57 Cb 0.57 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 2xdi h ILE 57 CO 0.01 0.00 0.51 0.58 -0.69 0.00 0.00 178.15 178.56 2xdi h VAL 58 N -0.45 1.22 0.21 1.67 2.07 -1.04 0.48 116.25 120.41 2xdi h VAL 58 Ca 0.04 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2xdi h VAL 58 Cb 0.55 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2xdi h VAL 58 CO -0.41 0.22 -0.36 -0.08 0.02 0.00 0.00 177.57 176.96 2xdi h GLU 59 N 1.09 -0.59 -0.70 1.57 4.57 0.62 0.57 114.58 121.71 2xdi h GLU 59 Ca 0.29 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.57 2xdi h GLU 59 Cb -0.08 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2xdi h GLU 59 CO -0.06 -0.39 0.46 0.93 -1.18 0.00 0.00 179.01 178.77 2xdi h GLU 60 N -0.61 0.70 0.02 1.92 5.08 -0.37 0.41 114.58 121.74 2xdi h GLU 60 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2xdi h GLU 60 Cb 0.57 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2xdi h GLU 60 CO -0.12 0.46 -0.02 1.25 -1.00 0.00 0.00 179.01 179.57 2xdi h LEU 61 N 0.72 -0.06 -0.60 1.33 6.46 0.21 0.15 115.31 123.52 2xdi h LEU 61 Ca 0.30 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 2xdi h LEU 61 Cb 0.26 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2xdi h LEU 61 CO -0.10 -0.04 0.00 -0.11 -0.62 0.00 0.00 178.44 177.57 2xdi n LEU 62 N -5.12 0.70 0.08 2.25 0.00 0.19 -2.68 117.00 112.41 2xdi n LEU 62 Ca -0.07 0.65 -0.22 0.00 0.00 0.00 0.00 56.01 56.38 2xdi n LEU 62 Cb 0.06 -0.54 -0.13 0.00 0.00 0.00 0.00 43.42 42.81 2xdi n LEU 62 CO 0.33 -0.51 -0.02 -0.09 0.00 0.00 0.00 177.39 177.10 2xdi h ARG 63 N 0.00 0.58 0.00 1.96 2.43 0.21 -3.48 114.38 116.08 2xdi h ARG 63 Ca 0.00 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2xdi h ARG 63 Cb 0.43 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2xdi h ARG 63 CO 0.00 1.34 0.00 0.41 -1.51 0.00 0.00 179.97 180.21 2xdi n GLY 64 N 1.36 1.32 1.43 2.80 0.00 0.29 -4.93 105.19 107.45 2xdi n GLY 64 Ca -0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 2xdi n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xdi n GLU 65 N 0.00 -1.06 -0.36 1.61 1.02 -0.83 -4.87 120.64 116.15 2xdi n GLU 65 Ca 0.00 0.13 0.31 0.00 -0.02 0.00 0.00 57.16 57.58 2xdi n GLU 65 Cb 0.00 -3.03 0.53 0.00 -0.02 0.00 0.00 31.44 28.92 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2xdi n MET 66 N -1.46 -0.03 -0.04 3.49 1.56 -1.26 -2.10 117.12 117.28 2xdi n MET 66 Ca -0.04 1.02 0.00 0.00 -0.27 0.00 0.00 57.70 58.41 2xdi n MET 66 Cb 0.52 -1.98 0.00 0.00 2.15 0.00 0.00 33.22 33.92 2xdi n MET 66 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2xdi n SER 67 N -4.39 0.00 0.19 6.12 3.41 -1.26 -4.85 113.62 112.84 2xdi n SER 67 Ca 0.32 -1.05 0.09 0.00 -0.26 0.00 0.00 58.87 57.97 2xdi n SER 67 Cb 1.21 -0.01 0.11 0.00 -0.26 0.00 0.00 64.21 65.26 2xdi n SER 67 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2xdi h GLN 68 N 0.00 0.00 0.00 4.33 -0.00 -1.78 -1.64 115.11 116.02 2xdi h GLN 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2xdi h GLN 68 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.50 2xdi h GLN 68 CO 0.00 0.16 -0.78 -0.09 0.00 0.00 0.00 178.83 178.13 2xdi h ARG 69 N 0.00 0.00 0.00 1.69 2.43 -1.89 -3.35 114.38 113.26 2xdi h ARG 69 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2xdi h ARG 69 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2xdi h ARG 69 CO 0.02 0.00 -1.89 -1.91 -1.51 0.00 0.00 179.97 174.68 2xdi n GLU 70 N -2.16 0.75 0.00 0.20 0.00 -1.21 -4.29 120.64 113.93 2xdi n GLU 70 Ca 0.02 -0.12 0.14 0.00 0.00 0.00 0.00 57.16 57.20 2xdi n GLU 70 Cb 0.46 -1.42 0.64 0.00 0.00 0.00 0.00 31.44 31.12 2xdi n GLU 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2xdi n LEU 71 N -2.24 0.00 0.00 4.31 7.94 -0.62 -3.21 117.00 123.18 2xdi n LEU 71 Ca -0.09 0.41 0.07 0.00 -1.11 0.00 0.00 56.01 55.28 2xdi n LEU 71 Cb 0.61 -0.41 0.35 0.00 0.53 0.00 0.00 43.42 44.51 2xdi n LEU 71 CO 0.36 -0.02 0.72 2.29 -1.11 0.00 0.00 177.39 179.63 2xdi n LYS 72 N -1.41 0.13 -0.34 1.96 -0.00 -1.26 -2.49 118.16 114.76 2xdi n LYS 72 Ca 0.10 0.19 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 2xdi n LYS 72 Cb 0.28 -1.50 0.16 0.00 -0.00 0.00 0.00 35.03 33.97 2xdi n LYS 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2xdi n ASN 73 N -1.37 2.75 -0.46 -5.58 5.15 -1.20 -2.56 115.26 111.99 2xdi n ASN 73 Ca 0.06 -2.34 0.05 0.00 -0.60 0.00 0.00 54.58 51.75 2xdi n ASN 73 Cb 0.14 -0.55 0.09 0.00 -0.53 0.00 0.00 39.78 38.93 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2xdi n GLU 74 N 0.25 1.75 0.00 1.20 2.13 -1.04 -4.79 120.64 120.15 2xdi n GLU 74 Ca 0.11 -1.56 0.00 0.00 0.66 0.00 0.00 57.16 56.36 2xdi n GLU 74 Cb 0.59 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.10 2xdi n GLU 74 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2xdi n PHE 75 N 0.43 -0.05 -1.39 4.31 3.01 -1.23 -5.00 117.46 117.53 2xdi n PHE 75 Ca 0.08 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.40 2xdi n PHE 75 Cb 0.33 0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xdi n GLY 76 N -0.92 1.32 2.67 1.37 0.00 -1.06 -4.84 105.19 103.73 2xdi n GLY 76 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi s ALA 77 N -2.16 -0.25 0.00 4.61 0.00 -1.26 -4.85 121.76 117.84 2xdi s ALA 77 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2xdi s ALA 77 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2xdi s ALA 77 CO 0.00 -2.12 0.00 0.41 0.00 0.00 0.00 175.76 174.05 2xdi n GLY 78 N 3.63 1.43 0.94 0.00 0.00 -1.26 -4.94 105.19 104.98 2xdi n GLY 78 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2xdi n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2xdi n ILE 79 N -0.41 2.41 0.00 -0.61 0.13 -1.26 -4.57 119.36 115.05 2xdi n ILE 79 Ca 0.00 -2.74 0.00 0.00 -1.10 0.00 0.00 62.75 58.91 2xdi n ILE 79 Cb 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 39.64 38.51 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2xdi n ALA 80 N -1.08 1.77 0.27 1.51 0.00 -1.26 -4.68 120.51 117.03 2xdi n ALA 80 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.86 2xdi n ALA 80 Cb 0.92 0.21 0.75 0.00 0.00 0.00 0.00 19.45 21.33 2xdi n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi h THR 81 N 0.00 0.38 -0.08 0.00 1.03 -1.99 0.09 112.91 112.35 2xdi h THR 81 Ca 0.00 -0.54 -0.10 0.00 -0.01 0.00 0.00 66.41 65.76 2xdi h THR 81 Cb 0.72 1.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.17 2xdi h THR 81 CO 0.00 0.09 -0.41 0.40 -0.01 0.00 0.00 175.52 175.59 2xdi h ILE 82 N 0.00 1.31 -0.00 0.00 2.04 -1.84 -3.20 117.51 115.83 2xdi h ILE 82 Ca -0.00 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 2xdi h ILE 82 Cb 0.38 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 2xdi h ILE 82 CO 0.01 0.45 -0.62 0.35 0.00 0.00 0.00 178.15 178.34 2xdi n THR 83 N -4.03 1.73 -1.64 -0.27 -2.24 -0.86 -5.05 114.28 101.92 2xdi n THR 83 Ca -0.02 -2.76 -0.54 0.00 -2.27 0.00 0.00 64.05 58.46 2xdi n THR 83 Cb 0.47 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2xdi n ARG 84 N -0.77 1.30 -1.66 -0.78 0.63 -0.04 -4.78 116.66 110.57 2xdi n ARG 84 Ca 0.16 0.46 -0.50 0.00 -0.92 0.00 0.00 57.85 57.04 2xdi n ARG 84 Cb 0.79 -2.27 -0.05 0.00 0.45 0.00 0.00 32.46 31.38 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 4.85 1.23 0.00 5.14 0.00 -1.26 -4.93 105.19 110.22 2xdi n GLY 85 Ca 0.30 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.20 2xdi n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xdi n SER 86 N 6.88 1.50 -4.81 1.61 7.64 -1.26 -5.15 113.62 120.03 2xdi n SER 86 Ca 0.26 -0.25 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2xdi n SER 86 Cb 0.26 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2xdi s ASN 87 N 0.50 5.54 0.10 6.43 0.01 -1.26 -5.00 114.94 121.26 2xdi s ASN 87 Ca 0.00 -0.17 0.27 0.00 -0.71 0.00 0.00 52.86 52.25 2xdi s ASN 87 Cb 0.00 -1.44 1.02 0.00 0.41 0.00 0.00 41.25 41.25 2xdi s ASN 87 CO 0.00 0.02 1.84 -1.20 -1.51 0.00 0.00 177.10 176.25 2xdi n SER 88 N -0.69 0.36 -0.24 -1.22 7.64 -1.26 -3.19 113.62 115.02 2xdi n SER 88 Ca -0.08 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.38 2xdi n SER 88 Cb 0.56 -0.63 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 2xdi n SER 88 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2xdi n LEU 89 N -1.85 1.34 -0.31 -3.43 7.94 -1.26 -3.88 117.00 115.54 2xdi n LEU 89 Ca 0.06 -0.88 0.14 0.00 -1.11 0.00 0.00 56.01 54.22 2xdi n LEU 89 Cb 0.36 0.00 0.58 0.00 0.53 0.00 0.00 43.42 44.90 2xdi n LEU 89 CO 0.27 0.27 0.88 0.29 -1.11 0.00 0.00 177.39 177.99 2xdi n LYS 90 N 0.05 1.28 0.00 1.96 5.02 -1.19 -3.95 118.16 121.34 2xdi n LYS 90 Ca 0.04 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 2xdi n LYS 90 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2xdi n ALA 91 N -0.31 0.49 -3.43 7.82 0.00 -1.26 -4.97 120.51 118.85 2xdi n ALA 91 Ca 0.18 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 2xdi n ALA 91 Cb 0.30 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.10 -2.59 -0.06 0.00 0.00 -1.25 -4.80 120.51 111.72 2xdi n ALA 92 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 2xdi n ALA 92 Cb 0.11 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.07 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 -0.51 0.62 -0.11 0.00 0.13 -1.94 -2.05 132.00 128.13 2xdi h PRO 93 Ca -0.40 -0.42 0.03 0.00 -0.87 0.00 0.00 66.00 64.35 2xdi h PRO 93 Cb 1.23 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2xdi h PRO 93 CO 0.38 1.04 0.33 0.28 -0.23 0.00 0.00 178.00 179.79 2xdi h VAL 94 N 0.30 0.13 0.16 1.56 2.07 -1.90 1.00 116.25 119.57 2xdi h VAL 94 Ca -0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 2xdi h VAL 94 Cb 1.04 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2xdi h VAL 94 CO 0.09 0.00 -1.77 -0.08 0.02 0.00 0.00 177.57 175.84 2xdi h GLU 95 N 0.00 0.34 -0.11 1.57 4.57 -1.77 -3.26 114.58 115.92 2xdi h GLU 95 Ca 0.05 -0.59 -0.15 0.00 -1.18 0.00 0.00 59.36 57.50 2xdi h GLU 95 Cb 0.71 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2xdi h GLU 95 CO -0.00 1.25 -0.57 1.25 -1.18 0.00 0.00 179.01 179.76 2xdi h LEU 96 N 0.09 0.39 -0.97 1.64 6.46 0.34 -2.81 115.31 120.45 2xdi h LEU 96 Ca -0.34 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.23 2xdi h LEU 96 Cb 2.08 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.84 2xdi h LEU 96 CO 0.16 0.87 0.64 -0.09 -0.62 0.00 0.00 178.44 179.40 2xdi h ARG 97 N 0.26 1.23 0.10 1.25 1.12 0.69 1.20 114.38 120.24 2xdi h ARG 97 Ca 0.00 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2xdi h ARG 97 Cb 1.08 -0.28 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2xdi h ARG 97 CO 0.09 0.81 -0.05 1.96 -3.11 0.00 0.00 179.97 179.68 2xdi h GLN 98 N 1.27 -0.13 -0.36 0.20 1.08 -1.56 0.11 115.11 115.71 2xdi h GLN 98 Ca 0.37 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.51 2xdi h GLN 98 Cb -0.07 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2xdi h GLN 98 CO -0.10 0.18 -0.06 2.35 -0.95 0.00 0.00 178.83 180.24 2xdi h TRP 99 N -0.45 0.64 -0.76 2.96 -0.00 -1.22 -2.07 115.95 115.05 2xdi h TRP 99 Ca -0.01 -0.09 -0.06 0.00 -0.00 0.00 0.00 58.89 58.73 2xdi h TRP 99 Cb 0.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 29.32 2xdi h TRP 99 CO 0.03 0.65 0.25 1.25 -0.00 0.00 0.00 178.44 180.62 2xdi h LEU 100 N 0.56 1.10 -1.50 0.65 5.85 0.17 0.44 115.31 122.57 2xdi h LEU 100 Ca 0.11 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2xdi h LEU 100 Cb 0.45 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2xdi h LEU 100 CO 0.02 1.01 0.18 -0.08 -0.34 0.00 0.00 178.44 179.23 2xdi h GLU 101 N 1.13 0.52 0.00 1.25 4.81 -0.12 1.71 114.58 123.87 2xdi h GLU 101 Ca 0.25 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.22 2xdi h GLU 101 Cb 0.29 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2xdi h GLU 101 CO -0.01 0.40 -1.06 0.93 -0.73 0.00 0.00 179.01 178.54 2xdi h GLU 102 N 0.52 0.00 0.00 1.92 4.39 -0.79 0.47 114.58 121.09 2xdi h GLU 102 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2xdi h GLU 102 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2xdi h GLU 102 CO -0.02 0.74 -0.53 0.28 -1.16 0.00 0.00 179.01 178.32 2xdi h VAL 103 N 0.00 0.00 0.03 3.13 2.07 0.96 -1.67 116.25 120.77 2xdi h VAL 103 Ca -0.07 -0.94 -0.36 0.00 0.82 0.00 0.00 66.70 66.14 2xdi h VAL 103 Cb 1.72 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 2xdi h VAL 103 CO 0.10 0.00 -2.20 -0.11 0.02 0.00 0.00 177.57 175.38 2xdi n LEU 104 N -2.79 1.84 -1.15 2.57 -0.00 0.57 -4.03 117.00 114.01 2xdi n LEU 104 Ca 0.02 0.08 0.08 0.00 -0.00 0.00 0.00 56.01 56.19 2xdi n LEU 104 Cb 0.53 -0.45 0.26 0.00 -0.00 0.00 0.00 43.42 43.76 2xdi n LEU 104 CO 0.37 0.72 0.71 0.18 -0.00 0.00 0.00 177.39 179.37 2xdi n LEU 105 N -3.16 3.34 -3.68 -1.96 4.77 0.15 -4.93 117.00 111.53 2xdi n LEU 105 Ca -0.34 -1.68 -0.21 0.00 -0.03 0.00 0.00 56.01 53.75 2xdi n LEU 105 Cb 1.06 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2xdi n LEU 105 CO 0.38 0.70 -0.26 2.29 -1.33 0.00 0.00 177.39 179.16 2xdi n LYS 106 N 0.99 -0.89 -2.63 3.23 2.85 -0.66 -3.13 118.16 117.93 2xdi n LYS 106 Ca 0.19 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.44 2xdi n LYS 106 Cb 0.58 -2.03 -0.02 0.00 -0.65 0.00 0.00 35.03 32.91 2xdi n LYS 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2xdi n SER 107 N -1.55 -3.89 -0.07 -5.58 2.88 -1.04 -5.04 113.62 99.33 2xdi n SER 107 Ca -0.18 1.30 0.16 0.00 -1.33 0.00 0.00 58.87 58.82 2xdi n SER 107 Cb 0.42 -3.85 0.89 0.00 -0.75 0.00 0.00 64.21 60.92 2xdi n SER 107 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91