#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 -0.92 -4.77 1.08 3.41 -1.26 -5.02 113.62 106.14 2xdi n SER 5 Ca 0.00 0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 2xdi n SER 5 Cb 0.00 1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 65.09 2xdi n SER 5 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2xdi s PRO 6 N -1.82 4.35 0.00 4.33 0.04 -1.26 -4.21 135.00 136.43 2xdi s PRO 6 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2xdi s PRO 6 Cb 0.00 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2xdi s PRO 6 CO 0.00 -0.01 0.00 0.66 0.04 0.00 0.00 177.00 177.69 2xdi n TYR 7 N 0.43 0.00 0.00 0.56 4.02 -1.26 -4.45 117.16 116.46 2xdi n TYR 7 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2xdi n TYR 7 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 2xdi n TYR 7 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2xdi n SER 8 N 0.59 0.00 -3.62 7.72 3.41 -1.26 -4.56 113.62 115.89 2xdi n SER 8 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2xdi n SER 8 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xdi s ALA 9 N -1.81 -2.76 -0.34 7.33 0.00 -1.26 -5.02 121.76 117.91 2xdi s ALA 9 Ca 0.00 1.94 0.09 0.00 0.00 0.00 0.00 51.96 53.99 2xdi s ALA 9 Cb 0.00 -2.04 0.33 0.00 0.00 0.00 0.00 23.12 21.41 2xdi s ALA 9 CO 0.00 -0.35 1.33 0.00 0.00 0.00 0.00 175.76 176.75 2xdi n ALA 10 N 3.09 1.26 -2.00 0.00 0.00 -1.26 -4.75 120.51 116.84 2xdi n ALA 10 Ca -0.16 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2xdi n ALA 10 Cb 0.56 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.92 0.00 -2.72 0.00 0.00 -1.26 -5.08 117.12 107.14 2xdi n MET 11 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.51 2xdi n MET 11 Cb 0.81 0.00 0.10 0.00 0.00 0.00 0.00 33.22 34.13 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 -3.00 -0.11 0.26 -5.12 0.00 -1.26 -4.90 120.51 106.38 2xdi n ALA 12 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 53.44 52.15 2xdi n ALA 12 Cb 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.01 1.41 -0.16 0.00 2.13 -1.26 -4.65 120.64 118.09 2xdi n GLU 13 Ca 0.02 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2xdi n GLU 13 Cb 0.76 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 31.24 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 -1.68 0.00 -0.06 5.31 6.02 -1.26 -4.86 117.38 120.84 2xdi n GLN 14 Ca -0.00 -0.47 -0.08 0.00 -0.01 0.00 0.00 57.00 56.43 2xdi n GLN 14 Cb 0.28 -0.36 -0.15 0.00 1.02 0.00 0.00 30.24 31.03 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 0.00 0.66 0.21 -1.09 0.63 -1.26 -4.09 116.66 111.73 2xdi n ARG 15 Ca 0.00 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2xdi n ARG 15 Cb 0.55 -1.63 0.65 0.00 0.45 0.00 0.00 32.46 32.48 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2xdi h HIS 16 N 0.00 0.00 0.00 -0.14 2.76 -1.89 0.27 115.15 116.15 2xdi h HIS 16 Ca -0.42 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.64 2xdi h HIS 16 Cb 2.08 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.03 2xdi h HIS 16 CO 0.00 0.00 -0.93 1.96 -1.30 0.00 0.00 177.93 177.66 2xdi h GLN 17 N 0.00 0.00 -0.00 5.26 7.50 -1.95 -3.18 115.11 122.74 2xdi h GLN 17 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2xdi h GLN 17 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 2xdi h GLN 17 CO 0.00 0.32 -0.07 0.39 -1.50 0.00 0.00 178.83 177.97 2xdi n GLU 18 N -3.01 0.27 0.05 1.46 1.02 0.94 -2.43 120.64 118.95 2xdi n GLU 18 Ca -0.03 -0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 2xdi n GLU 18 Cb 0.75 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.11 0.59 -0.10 -0.32 2.91 -1.50 -2.41 115.95 115.23 2xdi h TRP 19 Ca 0.00 -0.43 -0.20 0.00 1.13 0.00 0.00 58.89 59.38 2xdi h TRP 19 Cb 0.40 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2xdi h TRP 19 CO 0.00 1.43 -0.77 -0.07 -1.03 0.00 0.00 178.44 178.00 2xdi h LEU 20 N -0.26 0.69 -1.33 0.65 3.38 -1.65 0.71 115.31 117.50 2xdi h LEU 20 Ca -0.21 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 2xdi h LEU 20 Cb 1.78 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 2xdi h LEU 20 CO 0.15 1.23 0.07 -0.09 0.09 0.00 0.00 178.44 179.89 2xdi h ARG 21 N 0.39 0.52 0.10 1.13 2.43 -1.58 0.99 114.38 118.35 2xdi h ARG 21 Ca -0.04 -0.09 -0.26 0.00 -0.81 0.00 0.00 59.98 58.78 2xdi h ARG 21 Cb 1.37 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2xdi h ARG 21 CO 0.14 0.49 -1.22 0.35 -1.51 0.00 0.00 179.97 178.23 2xdi h PHE 22 N 0.51 0.39 -0.36 2.20 3.04 -1.24 0.47 116.94 121.95 2xdi h PHE 22 Ca 0.12 -0.28 -0.17 0.00 3.98 0.00 0.00 57.97 61.62 2xdi h PHE 22 Cb 0.22 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 2xdi h PHE 22 CO 0.01 1.23 -0.43 0.28 -2.02 0.00 0.00 178.31 177.38 2xdi h VAL 23 N 0.06 1.27 0.11 1.41 2.07 -0.05 0.44 116.25 121.56 2xdi h VAL 23 Ca -0.12 -1.60 -0.27 0.00 0.82 0.00 0.00 66.70 65.53 2xdi h VAL 23 Cb 1.93 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2xdi h VAL 23 CO 0.19 0.53 -1.19 0.44 0.02 0.00 0.00 177.57 177.56 2xdi h ASP 24 N 0.74 0.43 0.44 0.57 3.45 0.95 -0.41 116.42 122.59 2xdi h ASP 24 Ca 0.05 -0.44 -0.13 0.00 0.43 0.00 0.00 57.03 56.93 2xdi h ASP 24 Cb 1.02 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.64 2xdi h ASP 24 CO 0.10 1.33 -0.58 0.25 -1.57 0.00 0.00 179.24 178.77 2xdi h LEU 25 N 0.10 0.17 0.26 1.55 7.12 0.02 0.21 115.31 124.73 2xdi h LEU 25 Ca -0.12 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.78 2xdi h LEU 25 Cb 1.90 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 2xdi h LEU 25 CO 0.20 0.71 -0.12 0.25 -0.13 0.00 0.00 178.44 179.34 2xdi h LEU 26 N 0.11 -0.30 -2.06 2.25 5.85 -0.08 0.26 115.31 121.35 2xdi h LEU 26 Ca -0.00 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2xdi h LEU 26 Cb 1.06 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2xdi h LEU 26 CO 0.08 0.19 0.21 0.07 -0.34 0.00 0.00 178.44 178.66 2xdi h LYS 27 N -1.04 0.00 0.00 1.25 5.09 -1.11 1.05 116.57 121.81 2xdi h LYS 27 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.61 2xdi h LYS 27 Cb 0.39 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.70 2xdi h LYS 27 CO 0.06 0.00 -0.47 -0.97 -2.09 0.00 0.00 179.45 175.98 2xdi h ASN 28 N 0.00 0.00 1.12 7.07 -0.00 -0.50 -2.71 115.58 120.56 2xdi h ASN 28 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.25 2xdi h ASN 28 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.83 2xdi h ASN 28 CO -0.00 0.47 -0.85 0.00 -0.00 0.00 0.00 177.43 177.05 2xdi h ALA 29 N 1.53 0.46 0.00 1.57 0.00 0.32 -2.96 119.26 120.18 2xdi h ALA 29 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2xdi h ALA 29 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2xdi h ALA 29 CO 0.06 1.06 -0.22 1.88 0.00 0.00 0.00 179.25 182.03 2xdi h TYR 30 N 0.00 0.00 0.13 0.00 0.05 -0.44 -0.52 116.97 116.19 2xdi h TYR 30 Ca -0.01 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 2xdi h TYR 30 Cb 1.64 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.39 2xdi h TYR 30 CO 0.00 0.22 -1.05 1.96 -1.05 0.00 0.00 178.16 178.25 2xdi h GLN 31 N 0.00 0.27 0.00 4.88 4.20 -1.45 -3.26 115.11 119.75 2xdi h GLN 31 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2xdi h GLN 31 Cb 0.73 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2xdi h GLN 31 CO 0.03 1.22 0.00 0.09 -0.67 0.00 0.00 178.83 179.50 2xdi n ASN 32 N -4.06 0.00 -1.03 1.46 3.02 -1.12 -4.86 115.26 108.67 2xdi n ASN 32 Ca -0.18 -0.34 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 2xdi n ASN 32 Cb 0.85 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2xdi n ASP 33 N -1.21 -4.38 -1.61 6.41 2.03 -0.40 -4.87 116.55 112.53 2xdi n ASP 33 Ca 0.16 0.25 0.05 0.00 0.52 0.00 0.00 54.79 55.76 2xdi n ASP 33 Cb 0.19 -3.07 0.32 0.00 -0.72 0.00 0.00 41.12 37.83 2xdi n ASP 33 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2xdi n LEU 34 N -1.47 4.78 -1.15 -2.67 4.77 -0.34 -4.06 117.00 116.86 2xdi n LEU 34 Ca -0.13 -2.43 0.11 0.00 -0.03 0.00 0.00 56.01 53.53 2xdi n LEU 34 Cb 0.44 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 41.13 2xdi n LEU 34 CO 0.18 0.56 0.71 0.00 -1.33 0.00 0.00 177.39 177.52 2xdi n HIS 35 N 0.46 0.68 0.18 -1.77 1.44 -1.19 -4.53 115.22 110.50 2xdi n HIS 35 Ca 0.23 -0.38 -0.14 0.00 -2.01 0.00 0.00 57.72 55.41 2xdi n HIS 35 Cb 1.01 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 31.05 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 4.02 -0.44 -0.07 2.39 5.85 -1.90 1.60 115.31 126.75 2xdi h LEU 36 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2xdi h LEU 36 Cb 0.94 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2xdi h LEU 36 CO 0.00 -0.28 0.02 1.55 -0.34 0.00 0.00 178.44 179.38 2xdi h PRO 37 N -0.44 0.12 -0.00 5.25 0.13 -1.93 -2.22 132.00 132.90 2xdi h PRO 37 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2xdi h PRO 37 Cb 0.37 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 2xdi h PRO 37 CO 0.02 0.31 -0.16 1.25 -0.23 0.00 0.00 178.00 179.20 2xdi h LEU 38 N -0.10 0.00 -1.48 1.56 6.46 -1.78 -1.08 115.31 118.89 2xdi h LEU 38 Ca 0.02 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2xdi h LEU 38 Cb 0.25 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2xdi h LEU 38 CO 0.00 0.17 0.04 0.25 -0.62 0.00 0.00 178.44 178.28 2xdi h LEU 39 N 0.01 0.35 0.02 2.25 5.85 0.29 1.23 115.31 125.30 2xdi h LEU 39 Ca -0.00 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 2xdi h LEU 39 Cb 0.29 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2xdi h LEU 39 CO 0.02 0.37 -0.63 0.78 -0.34 0.00 0.00 178.44 178.65 2xdi h ASN 40 N 0.38 0.52 0.27 1.25 2.35 -0.76 2.24 115.58 121.83 2xdi h ASN 40 Ca 0.09 -0.78 -0.11 0.00 -0.55 0.00 0.00 56.30 54.94 2xdi h ASN 40 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2xdi h ASN 40 CO -0.00 1.24 -0.45 -0.07 -1.65 0.00 0.00 177.43 176.50 2xdi h LEU 41 N -0.14 0.24 0.00 1.61 3.38 -1.07 -2.82 115.31 116.50 2xdi h LEU 41 Ca -0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2xdi h LEU 41 Cb 1.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2xdi h LEU 41 CO 0.12 0.66 -0.99 -0.03 0.09 0.00 0.00 178.44 178.29 2xdi h MET 42 N 0.18 0.00 0.00 1.13 4.05 0.15 -3.41 114.93 117.04 2xdi h MET 42 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2xdi h MET 42 Cb 0.87 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2xdi h MET 42 CO 0.07 0.06 0.00 1.28 0.23 0.00 0.00 176.91 178.55 2xdi n LEU 43 N -2.76 0.00 -1.62 3.39 4.77 0.76 -4.92 117.00 116.61 2xdi n LEU 43 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2xdi n LEU 43 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2xdi n LEU 43 CO 0.40 0.00 -0.47 1.07 -1.33 0.00 0.00 177.39 177.06 2xdi n THR 44 N -0.60 -3.59 0.04 -5.08 5.66 -1.26 -4.42 114.28 105.02 2xdi n THR 44 Ca 0.00 1.73 -0.06 0.00 -3.05 0.00 0.00 64.05 62.67 2xdi n THR 44 Cb 0.00 -2.67 -0.04 0.00 -1.55 0.00 0.00 70.33 66.07 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2xdi h PRO 45 N 0.63 -0.19 -1.91 1.09 0.13 -1.99 -3.21 132.00 126.55 2xdi h PRO 45 Ca 0.00 0.01 0.56 0.00 -0.87 0.00 0.00 66.00 65.70 2xdi h PRO 45 Cb 0.66 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.76 2xdi h PRO 45 CO 0.00 0.06 1.37 0.22 -0.23 0.00 0.00 178.00 179.42 2xdi h ASP 46 N -1.01 0.01 -0.03 1.44 3.58 -1.97 1.27 116.42 119.71 2xdi h ASP 46 Ca -0.02 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 2xdi h ASP 46 Cb 0.34 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.40 2xdi h ASP 46 CO 0.03 -0.01 -0.35 -0.08 -2.88 0.00 0.00 179.24 175.95 2xdi h GLU 47 N 0.00 0.29 0.00 0.28 4.81 -1.77 0.14 114.58 118.33 2xdi h GLU 47 Ca 0.92 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.83 2xdi h GLU 47 Cb 3.66 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 33.10 2xdi h GLU 47 CO -0.03 0.95 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.91 2xdi h ARG 48 N -0.26 0.00 0.02 1.92 2.43 0.13 0.37 114.38 118.98 2xdi h ARG 48 Ca -0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2xdi h ARG 48 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2xdi h ARG 48 CO 0.07 0.20 -0.12 1.49 -1.51 0.00 0.00 179.97 180.10 2xdi h GLU 49 N 0.00 0.05 -0.25 0.20 4.81 0.24 -2.56 114.58 117.07 2xdi h GLU 49 Ca -0.00 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2xdi h GLU 49 Cb 0.70 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2xdi h GLU 49 CO 0.03 0.99 -0.30 0.00 -0.73 0.00 0.00 179.01 178.99 2xdi h ALA 50 N 0.07 1.02 0.07 2.92 0.00 -0.66 0.81 119.26 123.48 2xdi h ALA 50 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2xdi h ALA 50 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2xdi h ALA 50 CO 0.02 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.76 2xdi h LEU 51 N 0.44 -0.07 -1.86 0.00 -0.00 -1.01 0.43 115.31 113.23 2xdi h LEU 51 Ca 0.06 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 58.22 2xdi h LEU 51 Cb 0.74 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 2xdi h LEU 51 CO 0.06 -0.05 0.70 1.23 -0.00 0.00 0.00 178.44 180.38 2xdi h GLY 52 N -0.10 0.26 0.93 0.83 0.00 -1.51 0.14 103.07 103.61 2xdi h GLY 52 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2xdi h GLY 52 CO 0.01 -0.02 -0.07 -0.84 0.00 0.00 0.00 176.54 175.62 2xdi h THR 53 N 0.10 0.89 -0.63 4.70 2.02 -0.43 -2.50 112.91 117.05 2xdi h THR 53 Ca 0.49 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 67.62 2xdi h THR 53 Cb 1.78 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 69.10 2xdi h THR 53 CO -0.06 0.04 0.19 0.03 0.37 0.00 0.00 175.52 176.09 2xdi h ARG 54 N -0.28 0.33 -0.85 6.66 2.47 0.15 0.43 114.38 123.30 2xdi h ARG 54 Ca -0.02 -0.02 0.18 0.00 -1.26 0.00 0.00 59.98 58.86 2xdi h ARG 54 Cb 0.22 -0.08 -0.11 0.00 -1.65 0.00 0.00 29.97 28.36 2xdi h ARG 54 CO 0.03 0.22 0.38 0.28 0.56 0.00 0.00 179.97 181.44 2xdi h VAL 55 N 0.34 0.59 -0.04 2.04 2.07 -1.08 0.47 116.25 120.64 2xdi h VAL 55 Ca 0.33 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 2xdi h VAL 55 Cb 0.47 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2xdi h VAL 55 CO -0.37 0.09 -0.41 -0.09 0.02 0.00 0.00 177.57 176.81 2xdi h ARG 56 N 0.47 0.35 0.08 1.57 2.43 -0.32 -2.11 114.38 116.86 2xdi h ARG 56 Ca 0.49 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2xdi h ARG 56 Cb 0.83 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 2xdi h ARG 56 CO -0.45 0.98 -0.43 0.82 -1.51 0.00 0.00 179.97 179.38 2xdi h ILE 57 N -0.17 0.00 -0.69 1.20 2.04 0.11 0.32 117.51 120.33 2xdi h ILE 57 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 2xdi h ILE 57 Cb 1.10 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2xdi h ILE 57 CO 0.08 0.00 0.45 -0.37 0.00 0.00 0.00 178.15 178.31 2xdi h VAL 58 N -0.60 1.05 0.36 1.67 -1.51 -1.08 0.42 116.25 116.55 2xdi h VAL 58 Ca -0.00 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 2xdi h VAL 58 Cb 0.61 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2xdi h VAL 58 CO -0.24 0.14 -0.17 -0.08 -1.23 0.00 0.00 177.57 175.98 2xdi h GLU 59 N 0.75 -0.47 -0.35 5.19 4.81 -0.46 -2.59 114.58 121.46 2xdi h GLU 59 Ca 0.29 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.65 2xdi h GLU 59 Cb 0.19 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2xdi h GLU 59 CO -0.09 -0.31 0.26 0.93 -0.73 0.00 0.00 179.01 179.06 2xdi h GLU 60 N -0.53 0.00 0.05 1.92 3.07 -0.27 -1.69 114.58 117.13 2xdi h GLU 60 Ca -0.05 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2xdi h GLU 60 Cb 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 2xdi h GLU 60 CO 0.08 0.00 -0.51 1.25 -1.40 0.00 0.00 179.01 178.43 2xdi h LEU 61 N 0.00 -1.57 -1.60 1.33 6.46 0.17 2.16 115.31 122.26 2xdi h LEU 61 Ca 0.17 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 2xdi h LEU 61 Cb 0.67 0.59 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 2xdi h LEU 61 CO -0.00 -0.52 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.14 2xdi h LEU 62 N -0.68 0.13 -0.68 2.25 3.38 -1.03 -1.91 115.31 116.77 2xdi h LEU 62 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2xdi h LEU 62 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2xdi h LEU 62 CO -0.32 0.24 -0.33 -0.09 0.09 0.00 0.00 178.44 178.03 2xdi h ARG 63 N 0.13 0.65 0.00 1.13 2.43 0.18 -3.47 114.38 115.44 2xdi h ARG 63 Ca 0.03 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2xdi h ARG 63 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2xdi h ARG 63 CO 0.01 0.89 0.00 0.41 -1.51 0.00 0.00 179.97 179.78 2xdi n GLY 64 N -0.11 0.83 2.12 2.80 0.00 0.70 -4.98 105.19 106.56 2xdi n GLY 64 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 3.47 -0.23 1.61 1.02 -0.66 -4.74 120.64 120.29 2xdi n GLU 65 Ca 0.00 -4.09 0.14 0.00 -0.02 0.00 0.00 57.16 53.19 2xdi n GLU 65 Cb 0.00 -2.28 0.44 0.00 -0.02 0.00 0.00 31.44 29.59 2xdi n GLU 65 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2xdi h MET 66 N 2.21 0.53 0.00 3.49 1.85 -1.82 -3.39 114.93 117.81 2xdi h MET 66 Ca 0.39 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.44 2xdi h MET 66 Cb 1.36 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 2xdi h MET 66 CO 0.88 0.35 -0.04 -1.13 -0.40 0.00 0.00 176.91 176.58 2xdi n SER 67 N -4.53 -0.13 0.00 1.39 3.41 -1.26 -4.86 113.62 107.64 2xdi n SER 67 Ca 0.17 -0.28 0.05 0.00 -0.26 0.00 0.00 58.87 58.54 2xdi n SER 67 Cb 0.53 0.04 0.22 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.04 0.00 4.33 7.27 -1.26 0.37 117.38 128.12 2xdi n GLN 68 Ca -0.04 0.29 0.02 0.00 0.07 0.00 0.00 57.00 57.35 2xdi n GLN 68 Cb 0.28 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.44 2xdi n GLN 68 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2xdi n ARG 69 N -1.45 2.18 0.00 3.69 0.63 -1.26 -4.18 116.66 116.28 2xdi n ARG 69 Ca 0.03 -0.43 0.00 0.00 -0.92 0.00 0.00 57.85 56.53 2xdi n ARG 69 Cb 0.11 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.11 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 -0.32 1.52 0.00 -0.14 1.02 -0.77 -4.77 120.64 117.19 2xdi n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2xdi n GLU 70 Cb 0.08 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2xdi n LEU 71 N -1.15 0.87 0.34 -4.62 7.99 0.16 -4.66 117.00 115.93 2xdi n LEU 71 Ca 0.00 -0.91 0.17 0.00 -0.01 0.00 0.00 56.01 55.26 2xdi n LEU 71 Cb 0.01 0.00 0.91 0.00 -0.11 0.00 0.00 43.42 44.23 2xdi n LEU 71 CO 0.00 0.22 1.14 0.50 -1.51 0.00 0.00 177.39 177.73 2xdi h LYS 72 N 0.00 0.00 -0.66 3.23 1.63 -1.69 0.20 116.57 119.28 2xdi h LYS 72 Ca 0.00 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.94 2xdi h LYS 72 Cb 0.02 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.53 2xdi h LYS 72 CO 0.00 0.00 -0.09 -0.97 -3.45 0.00 0.00 179.45 174.94 2xdi h ASN 73 N 0.00 -0.47 -0.71 4.20 -1.24 -1.91 2.17 115.58 117.62 2xdi h ASN 73 Ca 0.00 0.18 -0.45 0.00 0.71 0.00 0.00 56.30 56.75 2xdi h ASN 73 Cb 0.52 0.36 -0.21 0.00 0.73 0.00 0.00 38.32 39.71 2xdi h ASN 73 CO 0.00 -0.18 0.58 -0.62 -1.29 0.00 0.00 177.43 175.91 2xdi n GLU 74 N -5.38 2.10 -0.86 6.67 1.02 -0.63 -4.75 120.64 118.81 2xdi n GLU 74 Ca 0.09 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 2xdi n GLU 74 Cb 0.37 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 -0.34 0.00 -2.03 -0.32 3.72 0.73 -4.73 117.46 114.48 2xdi n PHE 75 Ca 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 2xdi n PHE 75 Cb 0.82 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 -1.58 2.43 2.46 1.37 0.00 0.62 -4.71 105.19 105.79 2xdi n GLY 76 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 7.82 -0.64 -2.81 4.61 0.00 -1.26 -1.37 120.51 126.85 2xdi n ALA 77 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 2xdi n ALA 77 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.08 -0.50 0.20 0.00 0.00 -1.26 -4.78 105.19 97.77 2xdi n GLY 78 Ca -0.23 0.05 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2xdi n GLY 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2xdi h ILE 79 N -0.51 0.00 0.00 -0.61 2.10 -1.51 -2.15 117.51 114.83 2xdi h ILE 79 Ca -0.39 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2xdi h ILE 79 Cb 1.27 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 2xdi h ILE 79 CO 0.46 0.00 -0.65 0.00 -1.08 0.00 0.00 178.15 176.88 2xdi n ALA 80 N -1.88 1.86 -0.07 0.18 0.00 -1.26 -4.53 120.51 114.81 2xdi n ALA 80 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2xdi n ALA 80 Cb 0.15 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 0.99 0.00 0.00 2.02 -1.94 0.59 112.91 114.57 2xdi h THR 81 Ca 0.00 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2xdi h THR 81 Cb 0.65 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2xdi h THR 81 CO 0.00 0.34 0.00 0.40 0.37 0.00 0.00 175.52 176.63 2xdi h ILE 82 N -1.00 0.00 0.00 3.11 2.04 -1.73 -2.97 117.51 116.96 2xdi h ILE 82 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2xdi h ILE 82 Cb 0.64 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2xdi h ILE 82 CO -0.02 0.00 -0.11 0.41 0.00 0.00 0.00 178.15 178.43 2xdi n THR 83 N -3.00 1.31 0.00 -0.27 -1.04 -0.88 -4.67 114.28 105.73 2xdi n THR 83 Ca 0.00 -1.55 0.00 0.00 -2.04 0.00 0.00 64.05 60.46 2xdi n THR 83 Cb 0.26 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.97 0.00 0.00 -2.82 0.63 0.21 -4.27 116.66 109.44 2xdi n ARG 84 Ca 0.10 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2xdi n ARG 84 Cb 0.61 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.27 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 -0.86 1.26 3.40 5.14 0.00 -1.26 -5.02 105.19 107.84 2xdi n GLY 85 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2xdi n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xdi s SER 86 N -0.69 3.87 0.00 1.61 1.04 -1.26 -5.10 113.70 113.17 2xdi s SER 86 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2xdi s SER 86 Cb 0.00 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2xdi s SER 86 CO 0.00 0.25 0.00 -3.20 0.98 0.00 0.00 173.24 171.27 2xdi n ASN 87 N 2.92 0.08 0.00 7.02 2.85 -1.26 -4.42 115.26 122.45 2xdi n ASN 87 Ca -0.18 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 2xdi n ASN 87 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2xdi n ASN 87 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2xdi n SER 88 N -0.35 0.00 0.31 1.20 2.88 -1.26 -3.87 113.62 112.53 2xdi n SER 88 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2xdi n SER 88 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.20 2xdi n SER 88 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2xdi h LEU 89 N 0.00 0.00 0.00 2.46 6.46 -2.00 1.02 115.31 123.26 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 -2.76 0.31 0.00 1.25 4.81 -1.26 -3.09 118.16 117.41 2xdi n LYS 90 Ca -0.02 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2xdi n LYS 90 Cb 0.38 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 -1.31 1.45 -3.95 3.14 0.00 0.35 -4.74 120.51 115.44 2xdi n ALA 91 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 2xdi n ALA 91 Cb 0.21 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.12 -2.60 -0.08 0.00 0.00 -0.80 -4.83 120.51 112.08 2xdi n ALA 92 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2xdi n ALA 92 Cb 0.22 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 16.51 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 -2.41 0.84 -0.92 0.00 0.13 -1.86 -2.15 132.00 125.62 2xdi h PRO 93 Ca -0.70 -0.51 0.27 0.00 -0.87 0.00 0.00 66.00 64.18 2xdi h PRO 93 Cb 1.39 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.54 2xdi h PRO 93 CO 0.51 1.15 0.82 0.28 -0.23 0.00 0.00 178.00 180.52 2xdi h VAL 94 N 0.61 0.29 -0.60 1.56 2.07 -1.91 1.81 116.25 120.08 2xdi h VAL 94 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2xdi h VAL 94 Cb 1.09 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2xdi h VAL 94 CO 0.11 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.74 2xdi h GLU 95 N 0.00 0.98 -0.08 1.57 4.81 -1.73 -1.89 114.58 118.24 2xdi h GLU 95 Ca 0.44 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2xdi h GLU 95 Cb 2.07 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.33 2xdi h GLU 95 CO -0.00 0.91 0.01 1.25 -0.73 0.00 0.00 179.01 180.44 2xdi h LEU 96 N 0.88 0.14 -1.47 1.64 6.46 0.27 -1.98 115.31 121.24 2xdi h LEU 96 Ca 0.18 -0.29 0.29 0.00 -0.12 0.00 0.00 57.88 57.94 2xdi h LEU 96 Cb 0.39 -0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 2xdi h LEU 96 CO 0.01 0.39 0.71 -0.09 -0.62 0.00 0.00 178.44 178.84 2xdi h ARG 97 N -0.12 0.30 -0.35 1.25 1.12 -1.03 0.70 114.38 116.26 2xdi h ARG 97 Ca 0.02 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 2xdi h ARG 97 Cb 0.32 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2xdi h ARG 97 CO 0.00 0.20 -0.26 1.96 -3.11 0.00 0.00 179.97 178.76 2xdi h GLN 98 N 0.31 0.79 -0.82 0.20 1.08 -0.68 -0.69 115.11 115.29 2xdi h GLN 98 Ca 0.60 -0.39 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2xdi h GLN 98 Cb 1.69 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.07 2xdi h GLN 98 CO -0.25 1.01 0.52 2.35 -0.95 0.00 0.00 178.83 181.51 2xdi h TRP 99 N 0.57 0.98 -0.06 2.96 -0.00 0.11 0.15 115.95 120.66 2xdi h TRP 99 Ca 0.07 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.88 2xdi h TRP 99 Cb 0.83 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.65 2xdi h TRP 99 CO 0.06 0.56 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.58 2xdi h LEU 100 N 1.02 0.13 -2.00 0.65 3.38 -1.05 -1.61 115.31 115.84 2xdi h LEU 100 Ca 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2xdi h LEU 100 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2xdi h LEU 100 CO -0.11 0.54 -0.07 -0.08 0.09 0.00 0.00 178.44 178.81 2xdi h GLU 101 N 0.11 0.00 0.00 1.13 4.81 0.80 0.15 114.58 121.58 2xdi h GLU 101 Ca 0.01 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 2xdi h GLU 101 Cb 0.79 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2xdi h GLU 101 CO 0.06 0.07 -1.60 0.39 -0.73 0.00 0.00 179.01 177.20 2xdi n GLU 102 N -3.38 0.63 0.10 1.92 4.71 -0.24 -0.50 120.64 123.89 2xdi n GLU 102 Ca -0.01 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.52 2xdi n GLU 102 Cb 0.23 -1.80 0.22 0.00 -1.01 0.00 0.00 31.44 29.08 2xdi n GLU 102 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2xdi h VAL 103 N 0.00 0.00 0.00 2.62 2.07 -0.72 -3.04 116.25 117.18 2xdi h VAL 103 Ca -0.24 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2xdi h VAL 103 Cb 1.84 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2xdi h VAL 103 CO 0.06 0.00 -1.31 0.18 0.02 0.00 0.00 177.57 176.52 2xdi n LEU 104 N -2.37 0.00 -1.89 2.57 4.77 0.45 -4.56 117.00 115.97 2xdi n LEU 104 Ca 0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 2xdi n LEU 104 Cb 0.46 0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.72 2xdi n LEU 104 CO 0.35 0.06 0.83 -0.11 -1.33 0.00 0.00 177.39 177.18 2xdi n LEU 105 N -1.91 5.73 0.00 2.23 7.94 0.35 -5.00 117.00 126.34 2xdi n LEU 105 Ca -0.04 -4.23 0.00 0.00 -1.11 0.00 0.00 56.01 50.63 2xdi n LEU 105 Cb 0.37 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2xdi n LEU 105 CO 0.12 1.57 0.00 1.17 -1.11 0.00 0.00 177.39 179.14 2xdi n LYS 106 N -0.94 -0.18 -0.85 1.96 4.81 -1.15 -4.52 118.16 117.29 2xdi n LYS 106 Ca 0.48 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.55 2xdi n LYS 106 Cb 0.96 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.95 2xdi n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2xdi n SER 107 N -1.59 2.36 0.00 3.14 2.88 -1.26 -5.09 113.62 114.06 2xdi n SER 107 Ca 0.00 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2xdi n SER 107 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14