#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 -6.86 0.16 2.61 7.64 -1.26 -4.97 113.62 110.94 2xdi n SER 5 Ca 0.00 -0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.66 2xdi n SER 5 Cb 0.00 -4.69 -0.04 0.00 -1.01 0.00 0.00 64.21 58.47 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 0.22 -0.47 -2.16 1.43 0.13 -2.12 -3.49 132.00 125.54 2xdi h PRO 6 Ca -0.07 0.03 0.24 0.00 -0.87 0.00 0.00 66.00 65.33 2xdi h PRO 6 Cb 1.04 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2xdi h PRO 6 CO 0.27 -0.28 -0.41 0.66 -0.23 0.00 0.00 178.00 178.01 2xdi n TYR 7 N -5.10 -2.26 -2.89 1.56 4.02 -1.26 -4.92 117.16 106.31 2xdi n TYR 7 Ca -0.06 1.15 -0.00 0.00 -0.01 0.00 0.00 57.90 58.97 2xdi n TYR 7 Cb 0.21 -2.05 0.01 0.00 -0.02 0.00 0.00 39.34 37.48 2xdi n TYR 7 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2xdi s SER 8 N -5.07 -0.87 0.00 7.72 1.04 -1.26 -4.99 113.70 110.27 2xdi s SER 8 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2xdi s SER 8 Cb 0.00 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.24 2xdi s SER 8 CO 0.00 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.14 2xdi n ALA 9 N 3.63 0.00 -2.26 5.32 0.00 -1.26 -4.49 120.51 121.44 2xdi n ALA 9 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 2xdi n ALA 9 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 -0.52 -3.27 0.00 0.00 -1.26 -4.92 120.51 110.54 2xdi n ALA 10 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 2xdi n ALA 10 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 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 -2.76 3.20 -2.20 0.00 1.56 -1.26 -4.81 117.12 110.85 2xdi n MET 11 Ca -0.22 -4.65 -0.06 0.00 -0.27 0.00 0.00 57.70 52.51 2xdi n MET 11 Cb 0.66 -2.34 0.03 0.00 2.15 0.00 0.00 33.22 33.72 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2xdi n ALA 12 N 0.95 -1.36 -0.22 -5.12 0.00 -1.26 -4.84 120.51 108.66 2xdi n ALA 12 Ca 0.29 0.05 0.25 0.00 0.00 0.00 0.00 53.44 54.03 2xdi n ALA 12 Cb 0.38 -2.46 0.62 0.00 0.00 0.00 0.00 19.45 17.99 2xdi n ALA 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2xdi h GLU 13 N -0.38 0.18 0.09 0.00 4.81 -1.93 0.14 114.58 117.49 2xdi h GLU 13 Ca -0.22 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.73 2xdi h GLU 13 Cb 1.11 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.46 2xdi h GLU 13 CO 0.17 0.12 -1.14 1.96 -0.73 0.00 0.00 179.01 179.40 2xdi h GLN 14 N 0.19 0.36 -1.08 1.92 4.20 -2.02 -3.46 115.11 115.22 2xdi h GLN 14 Ca 0.46 -0.50 -0.26 0.00 0.06 0.00 0.00 58.65 58.41 2xdi h GLN 14 Cb 1.50 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 29.34 2xdi h GLN 14 CO -0.10 1.19 -0.24 0.54 -0.67 0.00 0.00 178.83 179.56 2xdi n ARG 15 N -3.64 -1.44 0.29 1.46 1.74 0.49 -4.76 116.66 110.81 2xdi n ARG 15 Ca -0.08 0.81 0.17 0.00 -0.77 0.00 0.00 57.85 57.98 2xdi n ARG 15 Cb 0.95 -5.04 0.86 0.00 -1.02 0.00 0.00 32.46 28.21 2xdi n ARG 15 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2xdi h HIS 16 N 0.00 0.00 -0.20 -1.55 3.86 -1.90 -2.52 115.15 112.84 2xdi h HIS 16 Ca -0.26 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.76 2xdi h HIS 16 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2xdi h HIS 16 CO 0.43 0.05 -0.64 1.96 0.86 0.00 0.00 177.93 180.58 2xdi h GLN 17 N 0.00 0.73 0.00 2.45 1.08 -1.97 -2.50 115.11 114.90 2xdi h GLN 17 Ca -0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 2xdi h GLN 17 Cb 0.30 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2xdi h GLN 17 CO 0.01 1.14 0.00 0.39 -0.95 0.00 0.00 178.83 179.41 2xdi n GLU 18 N -3.95 0.03 -0.02 1.46 1.02 -0.95 -1.73 120.64 116.49 2xdi n GLU 18 Ca -0.05 0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 57.16 2xdi n GLU 18 Cb 0.67 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.00 0.23 -0.35 -0.32 2.91 -1.43 -2.52 115.95 114.47 2xdi h TRP 19 Ca 0.00 -0.15 -0.13 0.00 1.13 0.00 0.00 58.89 59.74 2xdi h TRP 19 Cb 0.24 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2xdi h TRP 19 CO 0.00 1.06 -0.32 -0.07 -1.03 0.00 0.00 178.44 178.08 2xdi h LEU 20 N -0.66 0.79 -1.38 0.65 3.38 -1.49 0.85 115.31 117.44 2xdi h LEU 20 Ca -0.05 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.67 2xdi h LEU 20 Cb 1.17 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 2xdi h LEU 20 CO 0.06 1.04 0.48 -0.09 0.09 0.00 0.00 178.44 180.02 2xdi h ARG 21 N 0.64 0.72 0.02 1.13 9.65 -1.40 1.65 114.38 126.78 2xdi h ARG 21 Ca 0.07 -0.04 -0.23 0.00 -1.10 0.00 0.00 59.98 58.68 2xdi h ARG 21 Cb 0.85 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 2xdi h ARG 21 CO 0.07 0.48 -1.10 0.35 2.80 0.00 0.00 179.97 182.57 2xdi h PHE 22 N 0.74 0.06 -0.16 2.20 3.04 -0.97 -0.70 116.94 121.15 2xdi h PHE 22 Ca 0.32 -0.05 -0.20 0.00 3.98 0.00 0.00 57.97 62.03 2xdi h PHE 22 Cb 0.29 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 2xdi h PHE 22 CO -0.00 1.04 -0.69 0.28 -2.02 0.00 0.00 178.31 176.92 2xdi h VAL 23 N 0.01 1.31 0.02 1.41 2.07 0.14 -0.72 116.25 120.49 2xdi h VAL 23 Ca -0.05 -1.94 -0.21 0.00 0.82 0.00 0.00 66.70 65.32 2xdi h VAL 23 Cb 1.82 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2xdi h VAL 23 CO 0.13 0.61 -0.93 0.44 0.02 0.00 0.00 177.57 177.84 2xdi h ASP 24 N 0.48 0.24 -0.03 0.57 3.45 0.23 0.20 116.42 121.55 2xdi h ASP 24 Ca -0.02 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.21 2xdi h ASP 24 Cb 1.28 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2xdi h ASP 24 CO 0.13 1.04 -0.05 -0.07 -1.57 0.00 0.00 179.24 178.72 2xdi h LEU 25 N 0.09 0.10 -0.22 1.55 -0.00 -1.07 0.20 115.31 115.96 2xdi h LEU 25 Ca -0.05 -0.54 -0.03 0.00 -0.00 0.00 0.00 57.88 57.26 2xdi h LEU 25 Cb 1.59 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.21 2xdi h LEU 25 CO 0.14 0.62 0.02 0.25 -0.00 0.00 0.00 178.44 179.48 2xdi h LEU 26 N -0.41 0.35 -1.12 1.67 5.85 -1.18 0.70 115.31 121.17 2xdi h LEU 26 Ca 0.00 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2xdi h LEU 26 Cb 0.60 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2xdi h LEU 26 CO 0.01 0.54 0.60 0.50 -0.34 0.00 0.00 178.44 179.75 2xdi h LYS 27 N 0.15 1.02 -0.05 1.25 3.64 -0.60 0.30 116.57 122.29 2xdi h LYS 27 Ca 0.06 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2xdi h LYS 27 Cb 0.34 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2xdi h LYS 27 CO 0.01 0.67 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.62 2xdi h ASN 28 N 1.05 0.09 1.16 4.20 4.21 -0.03 -1.77 115.58 124.48 2xdi h ASN 28 Ca 0.40 -0.03 -0.14 0.00 1.21 0.00 0.00 56.30 57.74 2xdi h ASN 28 Cb 0.21 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 2xdi h ASN 28 CO -0.16 0.42 -0.66 0.00 -1.29 0.00 0.00 177.43 175.74 2xdi h ALA 29 N 1.59 0.63 0.00 -0.83 0.00 0.18 -2.96 119.26 117.87 2xdi h ALA 29 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2xdi h ALA 29 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2xdi h ALA 29 CO 0.05 0.83 -0.06 1.88 0.00 0.00 0.00 179.25 181.94 2xdi h TYR 30 N 0.00 0.00 0.03 0.00 -1.99 -0.06 0.47 116.97 115.42 2xdi h TYR 30 Ca -0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.45 2xdi h TYR 30 Cb 1.42 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.12 2xdi h TYR 30 CO 0.00 0.00 -1.51 0.37 -0.00 0.00 0.00 178.16 177.02 2xdi h GLN 31 N 0.00 0.07 0.00 4.88 4.15 -1.26 -3.37 115.11 119.58 2xdi h GLN 31 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 2xdi h GLN 31 Cb 0.86 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 2xdi h GLN 31 CO 0.00 0.79 -1.71 -1.71 -1.93 0.00 0.00 178.83 174.27 2xdi n ASN 32 N -3.23 1.49 -2.66 -0.69 2.85 -1.13 -5.03 115.26 106.85 2xdi n ASN 32 Ca -0.13 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.23 2xdi n ASN 32 Cb 1.02 1.69 0.05 0.00 1.24 0.00 0.00 39.78 43.78 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2xdi n ASP 33 N -2.04 -4.28 -0.10 1.20 4.64 0.16 -4.95 116.55 111.18 2xdi n ASP 33 Ca -0.03 -0.46 0.02 0.00 -1.38 0.00 0.00 54.79 52.94 2xdi n ASP 33 Cb 0.41 -3.66 0.03 0.00 -1.04 0.00 0.00 41.12 36.86 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2xdi n LEU 34 N -2.78 1.13 0.00 -2.67 -0.00 -1.19 -4.72 117.00 106.77 2xdi n LEU 34 Ca -0.09 -1.44 0.10 0.00 -0.00 0.00 0.00 56.01 54.58 2xdi n LEU 34 Cb 0.59 -0.08 0.59 0.00 -0.00 0.00 0.00 43.42 44.51 2xdi n LEU 34 CO 0.40 0.35 0.85 0.00 -0.00 0.00 0.00 177.39 178.98 2xdi n HIS 35 N -0.45 0.00 -0.36 1.47 1.44 -1.26 -4.16 115.22 111.91 2xdi n HIS 35 Ca 0.03 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.79 2xdi n HIS 35 Cb 0.48 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.71 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 0.00 -0.96 -0.94 2.39 -0.00 -1.95 0.94 115.31 114.78 2xdi h LEU 36 Ca 0.00 0.30 -0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2xdi h LEU 36 Cb 0.00 0.62 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2xdi h LEU 36 CO 0.00 -0.32 -0.38 1.55 -0.00 0.00 0.00 178.44 179.29 2xdi h PRO 37 N -0.00 0.30 0.00 1.13 0.13 -2.00 -2.13 132.00 129.43 2xdi h PRO 37 Ca 0.46 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2xdi h PRO 37 Cb 0.71 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2xdi h PRO 37 CO -1.01 0.64 0.00 -0.11 -0.23 0.00 0.00 178.00 177.29 2xdi n LEU 38 N -4.05 0.80 0.06 1.56 0.00 0.26 -1.12 117.00 114.52 2xdi n LEU 38 Ca -0.01 0.59 -0.22 0.00 0.00 0.00 0.00 56.01 56.36 2xdi n LEU 38 Cb 0.47 -0.35 -0.15 0.00 0.00 0.00 0.00 43.42 43.39 2xdi n LEU 38 CO 0.42 -0.22 -0.39 0.25 0.00 0.00 0.00 177.39 177.44 2xdi h LEU 39 N 0.00 0.55 0.00 -1.96 5.85 0.83 -1.80 115.31 118.78 2xdi h LEU 39 Ca 0.00 -0.91 -0.16 0.00 0.84 0.00 0.00 57.88 57.65 2xdi h LEU 39 Cb 0.70 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2xdi h LEU 39 CO 0.00 1.68 -0.91 -0.55 -0.34 0.00 0.00 178.44 178.31 2xdi h ASN 40 N -0.08 0.00 0.47 1.25 -1.07 -1.46 2.02 115.58 116.70 2xdi h ASN 40 Ca -0.30 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 55.88 2xdi h ASN 40 Cb 1.94 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 38.18 2xdi h ASN 40 CO 0.15 0.68 -0.82 0.25 0.07 0.00 0.00 177.43 177.76 2xdi h LEU 41 N 0.00 0.33 0.00 6.14 5.85 -1.24 -3.27 115.31 123.12 2xdi h LEU 41 Ca -0.06 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2xdi h LEU 41 Cb 1.57 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2xdi h LEU 41 CO 0.08 1.01 -1.11 0.80 -0.34 0.00 0.00 178.44 178.88 2xdi n MET 42 N -3.73 1.36 -1.33 1.25 1.56 -0.68 -5.01 117.12 110.54 2xdi n MET 42 Ca -0.04 -0.06 -0.48 0.00 -0.27 0.00 0.00 57.70 56.86 2xdi n MET 42 Cb 0.76 -1.29 -0.04 0.00 2.15 0.00 0.00 33.22 34.81 2xdi n MET 42 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2xdi n LEU 43 N -1.63 -0.87 -3.78 -0.89 0.00 0.68 -4.96 117.00 105.55 2xdi n LEU 43 Ca 0.01 1.06 -0.13 0.00 0.00 0.00 0.00 56.01 56.95 2xdi n LEU 43 Cb 0.31 -0.88 -0.10 0.00 0.00 0.00 0.00 43.42 42.75 2xdi n LEU 43 CO 0.32 -2.53 -0.03 0.28 0.00 0.00 0.00 177.39 175.42 2xdi s THR 44 N -0.69 0.04 0.67 1.96 -1.32 -1.26 -4.98 115.64 110.06 2xdi s THR 44 Ca 0.66 -0.36 -0.13 0.00 -1.21 0.00 0.00 61.69 60.66 2xdi s THR 44 Cb -0.95 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2xdi s THR 44 CO 0.53 -0.20 1.07 -2.16 -2.21 0.00 0.00 174.62 171.65 2xdi s PRO 45 N -0.85 2.91 0.00 7.08 0.04 -1.26 -3.26 135.00 139.66 2xdi s PRO 45 Ca -0.09 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2xdi s PRO 45 Cb -0.05 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2xdi s PRO 45 CO 0.02 -1.13 0.00 -3.47 0.04 0.00 0.00 177.00 172.47 2xdi n ASP 46 N -2.75 0.00 -0.06 6.66 2.03 -1.26 -4.82 116.55 116.35 2xdi n ASP 46 Ca 0.09 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.37 2xdi n ASP 46 Cb 0.53 -0.71 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2xdi h GLU 47 N 1.81 0.00 -0.00 -0.67 4.57 -1.97 -2.29 114.58 116.02 2xdi h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2xdi h GLU 47 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2xdi h GLU 47 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 2xdi h ARG 48 N -0.95 0.00 0.02 1.92 3.08 -1.88 0.31 114.38 116.88 2xdi h ARG 48 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2xdi h ARG 48 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2xdi h ARG 48 CO 0.00 0.00 -0.01 1.49 -1.07 0.00 0.00 179.97 180.38 2xdi h GLU 49 N 0.00 -0.03 -0.45 0.04 4.22 -1.93 -2.28 114.58 114.15 2xdi h GLU 49 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 2xdi h GLU 49 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2xdi h GLU 49 CO -0.00 0.70 -0.08 0.00 -2.18 0.00 0.00 179.01 177.45 2xdi h ALA 50 N 0.01 1.03 0.37 2.92 0.00 -0.84 0.35 119.26 123.09 2xdi h ALA 50 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2xdi h ALA 50 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2xdi h ALA 50 CO 0.01 0.59 -0.18 1.25 0.00 0.00 0.00 179.25 180.92 2xdi h LEU 51 N 0.71 -0.42 -1.82 0.00 7.12 -0.50 -1.18 115.31 119.22 2xdi h LEU 51 Ca 0.13 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.32 2xdi h LEU 51 Cb 0.55 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.75 2xdi h LEU 51 CO 0.03 -0.27 0.47 1.23 -0.13 0.00 0.00 178.44 179.78 2xdi h GLY 52 N -0.56 0.30 0.82 3.75 0.00 -1.43 0.18 103.07 106.13 2xdi h GLY 52 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.25 2xdi h GLY 52 CO 0.08 0.02 0.44 -0.84 0.00 0.00 0.00 176.54 176.25 2xdi h THR 53 N 0.17 1.07 -0.38 4.70 2.02 0.10 -1.18 112.91 119.40 2xdi h THR 53 Ca 0.33 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2xdi h THR 53 Cb 1.06 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2xdi h THR 53 CO -0.05 0.15 -0.29 0.03 0.37 0.00 0.00 175.52 175.74 2xdi h ARG 54 N 0.85 0.86 -0.83 6.66 3.08 0.58 -0.75 114.38 124.82 2xdi h ARG 54 Ca 0.30 -0.42 0.15 0.00 0.07 0.00 0.00 59.98 60.07 2xdi h ARG 54 Cb 0.07 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 2xdi h ARG 54 CO -0.13 1.07 0.55 0.28 -1.07 0.00 0.00 179.97 180.66 2xdi h VAL 55 N 0.67 0.81 0.04 2.04 2.07 -0.63 0.16 116.25 121.41 2xdi h VAL 55 Ca 0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2xdi h VAL 55 Cb 0.86 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2xdi h VAL 55 CO 0.08 0.10 -0.02 -0.09 0.02 0.00 0.00 177.57 177.66 2xdi h ARG 56 N 0.57 -0.05 -0.23 1.57 2.43 -0.90 -1.72 114.38 116.06 2xdi h ARG 56 Ca 0.42 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 2xdi h ARG 56 Cb 0.79 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 2xdi h ARG 56 CO -0.17 0.62 -0.52 0.82 -1.51 0.00 0.00 179.97 179.21 2xdi h ILE 57 N -0.89 0.00 -0.65 1.20 1.08 -0.40 1.25 117.51 119.10 2xdi h ILE 57 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2xdi h ILE 57 Cb 0.69 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 2xdi h ILE 57 CO 0.01 0.00 0.36 -0.37 -0.69 0.00 0.00 178.15 177.46 2xdi h VAL 58 N -0.49 0.98 0.94 1.67 -1.51 -1.12 0.31 116.25 117.03 2xdi h VAL 58 Ca 0.04 -0.23 -0.05 0.00 -1.23 0.00 0.00 66.70 65.24 2xdi h VAL 58 Cb 0.61 0.25 0.01 0.00 -2.13 0.00 0.00 31.29 30.03 2xdi h VAL 58 CO -0.47 0.12 -0.45 -0.08 -1.23 0.00 0.00 177.57 175.46 2xdi h GLU 59 N 0.67 -1.22 -0.74 5.19 4.81 -0.09 -2.01 114.58 121.20 2xdi h GLU 59 Ca 0.29 0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.78 2xdi h GLU 59 Cb 0.16 0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2xdi h GLU 59 CO -0.17 -0.81 0.51 0.93 -0.73 0.00 0.00 179.01 178.74 2xdi h GLU 60 N -1.27 0.19 0.05 1.92 5.08 0.17 -1.09 114.58 119.63 2xdi h GLU 60 Ca -0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2xdi h GLU 60 Cb 0.97 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2xdi h GLU 60 CO 0.21 0.13 -0.14 1.25 -1.00 0.00 0.00 179.01 179.46 2xdi h LEU 61 N 0.20 -0.41 -2.52 1.33 6.46 0.36 0.53 115.31 121.26 2xdi h LEU 61 Ca 0.36 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.18 2xdi h LEU 61 Cb 1.14 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2xdi h LEU 61 CO -0.07 -0.15 0.11 0.25 -0.62 0.00 0.00 178.44 177.95 2xdi h LEU 62 N -0.22 0.00 -0.54 2.25 6.46 -1.11 -0.08 115.31 122.07 2xdi h LEU 62 Ca -0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 2xdi h LEU 62 Cb 0.21 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2xdi h LEU 62 CO -0.06 0.00 -0.57 -0.09 -0.62 0.00 0.00 178.44 177.10 2xdi h ARG 63 N 0.00 0.48 0.00 1.25 1.12 0.52 -3.47 114.38 114.28 2xdi h ARG 63 Ca 0.02 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2xdi h ARG 63 Cb 0.24 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2xdi h ARG 63 CO -0.00 0.92 0.00 0.41 -3.11 0.00 0.00 179.97 178.19 2xdi n GLY 64 N 0.27 1.51 2.83 2.80 0.00 0.16 -5.01 105.19 107.75 2xdi n GLY 64 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.56 -0.32 1.61 0.28 -0.71 -4.88 120.64 120.18 2xdi n GLU 65 Ca 0.00 -4.80 0.22 0.00 -0.16 0.00 0.00 57.16 52.41 2xdi n GLU 65 Cb 0.00 -2.29 0.43 0.00 1.43 0.00 0.00 31.44 31.02 2xdi n GLU 65 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 2xdi h MET 66 N 3.40 0.21 0.00 3.44 4.05 -1.75 -3.40 114.93 120.88 2xdi h MET 66 Ca 0.21 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2xdi h MET 66 Cb 0.49 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 2xdi h MET 66 CO 0.90 0.14 0.00 -1.13 0.23 0.00 0.00 176.91 177.04 2xdi n SER 67 N -5.17 0.00 -0.26 1.39 3.41 -1.26 -4.56 113.62 107.17 2xdi n SER 67 Ca 0.30 0.00 0.31 0.00 -0.26 0.00 0.00 58.87 59.22 2xdi n SER 67 Cb 0.94 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.43 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 0.62 4.33 4.15 -1.90 1.52 115.11 123.83 2xdi h GLN 68 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2xdi h GLN 68 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2xdi h GLN 68 CO 0.00 0.00 -0.30 -0.09 -1.93 0.00 0.00 178.83 176.51 2xdi h ARG 69 N 0.00 -0.80 0.00 1.69 9.65 -1.92 -3.36 114.38 119.64 2xdi h ARG 69 Ca 0.53 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.47 2xdi h ARG 69 Cb 2.86 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 31.62 2xdi h ARG 69 CO -0.01 -0.53 0.00 0.39 2.80 0.00 0.00 179.97 182.62 2xdi n GLU 70 N -4.95 2.17 0.00 0.20 -0.58 -0.31 -4.63 120.64 112.54 2xdi n GLU 70 Ca -0.10 -0.26 0.11 0.00 -0.42 0.00 0.00 57.16 56.49 2xdi n GLU 70 Cb 0.33 -0.74 0.14 0.00 -0.57 0.00 0.00 31.44 30.59 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2xdi n LEU 71 N -0.38 0.79 0.12 -4.62 7.99 0.50 -3.70 117.00 117.70 2xdi n LEU 71 Ca 0.00 -0.22 -0.06 0.00 -0.01 0.00 0.00 56.01 55.72 2xdi n LEU 71 Cb 0.01 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.15 2xdi n LEU 71 CO 0.00 0.18 0.16 0.50 -1.51 0.00 0.00 177.39 176.72 2xdi h LYS 72 N 0.26 -0.38 0.00 3.23 3.11 -1.66 -2.89 116.57 118.25 2xdi h LYS 72 Ca 0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2xdi h LYS 72 Cb 0.51 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2xdi h LYS 72 CO 0.00 -0.25 0.00 0.09 -2.81 0.00 0.00 179.45 176.48 2xdi n ASN 73 N -5.01 0.00 -1.08 4.20 5.03 -1.26 0.23 115.26 117.36 2xdi n ASN 73 Ca -0.05 -0.09 0.08 0.00 0.87 0.00 0.00 54.58 55.39 2xdi n ASN 73 Cb 0.15 -0.23 0.27 0.00 -1.02 0.00 0.00 39.78 38.95 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2xdi n GLU 74 N -1.23 3.30 0.00 3.52 4.07 -1.22 -4.74 120.64 124.34 2xdi n GLU 74 Ca 0.10 -2.70 0.00 0.00 -0.06 0.00 0.00 57.16 54.50 2xdi n GLU 74 Cb 0.13 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 2xdi n GLU 74 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2xdi n PHE 75 N 0.19 -0.89 0.00 4.31 3.72 -0.83 -4.98 117.46 118.98 2xdi n PHE 75 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2xdi n PHE 75 Cb 0.81 0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 -1.18 0.47 3.56 1.37 0.00 0.62 -3.80 105.19 106.23 2xdi n GLY 76 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.82 0.86 0.00 4.61 0.00 -1.26 -1.29 121.76 123.86 2xdi s ALA 77 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2xdi s ALA 77 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2xdi s ALA 77 CO 0.00 -5.82 0.00 0.41 0.00 0.00 0.00 175.76 170.35 2xdi n GLY 78 N 6.73 0.87 2.90 0.00 0.00 -1.25 -5.04 105.19 109.41 2xdi n GLY 78 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 5.09 0.00 -0.61 3.06 -0.41 -4.39 119.36 122.10 2xdi n ILE 79 Ca 0.00 -5.37 0.00 0.00 -2.50 0.00 0.00 62.75 54.88 2xdi n ILE 79 Cb 0.00 -2.12 0.00 0.00 0.54 0.00 0.00 39.64 38.06 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2xdi n ALA 80 N 2.03 1.78 0.31 1.51 0.00 -1.26 -4.67 120.51 120.20 2xdi n ALA 80 Ca 0.34 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.98 2xdi n ALA 80 Cb 0.33 0.22 1.01 0.00 0.00 0.00 0.00 19.45 21.01 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 0.00 0.00 0.00 1.03 -1.98 0.51 112.91 112.46 2xdi h THR 81 Ca 0.00 -0.12 -0.12 0.00 -0.01 0.00 0.00 66.41 66.16 2xdi h THR 81 Cb 0.70 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.80 2xdi h THR 81 CO 0.00 0.00 -0.84 0.40 -0.01 0.00 0.00 175.52 175.07 2xdi h ILE 82 N 0.00 0.69 0.00 0.00 2.04 -1.90 -3.33 117.51 115.01 2xdi h ILE 82 Ca 0.00 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 2xdi h ILE 82 Cb 0.12 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2xdi h ILE 82 CO 0.00 0.39 -0.13 0.41 0.00 0.00 0.00 178.15 178.82 2xdi n THR 83 N -3.08 1.57 0.00 -0.27 -1.04 -0.42 -5.02 114.28 106.02 2xdi n THR 83 Ca -0.02 -1.94 0.00 0.00 -2.04 0.00 0.00 64.05 60.05 2xdi n THR 83 Cb 0.76 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 2xdi n THR 83 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2xdi n ARG 84 N -1.16 0.90 -1.64 -2.82 1.85 0.17 -4.51 116.66 109.46 2xdi n ARG 84 Ca 0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.83 2xdi n ARG 84 Cb 0.66 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.98 2xdi n ARG 84 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2xdi s GLY 85 N -0.96 -0.85 0.05 2.89 0.00 -1.26 -4.87 107.32 102.31 2xdi s GLY 85 Ca 0.00 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 2xdi s GLY 85 CO 0.00 4.19 1.78 -0.45 0.00 0.00 0.00 173.10 178.62 2xdi s SER 86 N 9.58 6.53 0.23 1.64 0.15 -1.26 -4.97 113.70 125.59 2xdi s SER 86 Ca 0.86 2.56 -0.14 0.00 0.70 0.00 0.00 55.95 59.93 2xdi s SER 86 Cb -0.09 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.59 2xdi s SER 86 CO 0.12 -0.97 0.63 0.20 1.20 0.00 0.00 173.24 174.41 2xdi s ASN 87 N 3.20 6.80 -0.16 5.45 -0.87 -1.26 -4.99 114.94 123.10 2xdi s ASN 87 Ca 0.80 1.15 0.16 0.00 -1.57 0.00 0.00 52.86 53.39 2xdi s ASN 87 Cb -0.41 -2.32 -0.22 0.00 -0.02 0.00 0.00 41.25 38.29 2xdi s ASN 87 CO 0.35 -0.03 0.08 -0.24 -2.57 0.00 0.00 177.10 174.69 2xdi n SER 88 N 0.24 0.74 0.00 -1.22 2.88 -1.26 -4.55 113.62 110.45 2xdi n SER 88 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2xdi n SER 88 Cb 0.52 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 2xdi n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi n LEU 89 N -2.61 0.00 0.12 2.46 -0.00 -1.26 -3.96 117.00 111.75 2xdi n LEU 89 Ca -0.27 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 55.86 2xdi n LEU 89 Cb 1.03 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.93 2xdi n LEU 89 CO 0.37 0.00 0.85 0.29 -0.00 0.00 0.00 177.39 178.90 2xdi n LYS 90 N -1.24 0.19 0.00 1.47 4.76 -1.26 -2.58 118.16 119.50 2xdi n LYS 90 Ca 0.00 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2xdi n LYS 90 Cb 0.14 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2xdi n ALA 91 N -1.76 1.92 -3.85 7.82 0.00 -1.26 -5.03 120.51 118.35 2xdi n ALA 91 Ca 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 2xdi n ALA 91 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.42 -2.69 -0.01 0.00 0.00 -1.07 -4.83 120.51 111.49 2xdi n ALA 92 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 2xdi n ALA 92 Cb 0.02 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.34 0.66 -0.18 0.00 0.13 -1.84 -2.23 132.00 127.20 2xdi h PRO 93 Ca -0.63 -0.47 0.05 0.00 -0.87 0.00 0.00 66.00 64.07 2xdi h PRO 93 Cb 1.38 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 2xdi h PRO 93 CO 0.43 1.09 0.35 0.28 -0.23 0.00 0.00 178.00 179.93 2xdi h VAL 94 N 0.48 0.20 0.38 1.56 2.07 -1.88 0.60 116.25 119.65 2xdi h VAL 94 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2xdi h VAL 94 Cb 1.25 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2xdi h VAL 94 CO 0.13 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.46 2xdi h GLU 95 N 0.00 -0.49 -0.97 1.57 4.22 -1.74 -1.68 114.58 115.50 2xdi h GLU 95 Ca 0.09 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.57 2xdi h GLU 95 Cb 0.78 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2xdi h GLU 95 CO -0.00 -0.28 0.64 1.25 -2.18 0.00 0.00 179.01 178.44 2xdi h LEU 96 N -1.11 1.10 -1.46 1.64 5.85 -1.17 -0.35 115.31 119.81 2xdi h LEU 96 Ca -0.05 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2xdi h LEU 96 Cb 0.43 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2xdi h LEU 96 CO 0.09 0.79 0.45 -0.09 -0.34 0.00 0.00 178.44 179.33 2xdi h ARG 97 N 1.29 0.62 0.23 1.25 2.43 0.10 1.28 114.38 121.58 2xdi h ARG 97 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2xdi h ARG 97 Cb -0.12 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 2xdi h ARG 97 CO -0.09 0.41 -0.11 1.96 -1.51 0.00 0.00 179.97 180.64 2xdi h GLN 98 N 0.64 -0.29 -0.55 0.20 1.08 -0.08 1.09 115.11 117.20 2xdi h GLN 98 Ca 0.30 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.42 2xdi h GLN 98 Cb 0.35 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2xdi h GLN 98 CO -0.10 -0.01 -0.04 2.35 -0.95 0.00 0.00 178.83 180.08 2xdi h TRP 99 N -0.58 1.09 0.00 2.96 7.01 -0.92 -1.06 115.95 124.46 2xdi h TRP 99 Ca -0.03 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 60.72 2xdi h TRP 99 Cb 0.42 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2xdi h TRP 99 CO 0.01 1.00 -0.20 1.25 -2.79 0.00 0.00 178.44 177.71 2xdi h LEU 100 N 0.87 0.00 -0.30 0.65 5.85 0.17 -1.38 115.31 121.17 2xdi h LEU 100 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2xdi h LEU 100 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2xdi h LEU 100 CO 0.04 0.20 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.07 2xdi h GLU 101 N 0.00 0.00 0.00 1.25 4.81 0.22 -1.23 114.58 119.63 2xdi h GLU 101 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2xdi h GLU 101 Cb 0.53 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2xdi h GLU 101 CO 0.03 0.19 -1.36 1.49 -0.73 0.00 0.00 179.01 178.63 2xdi h GLU 102 N 0.00 0.00 0.00 1.92 4.81 -0.19 -2.12 114.58 118.99 2xdi h GLU 102 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2xdi h GLU 102 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2xdi h GLU 102 CO 0.02 0.44 -0.91 0.28 -0.73 0.00 0.00 179.01 178.12 2xdi n VAL 103 N -3.02 0.50 -0.08 0.32 0.31 -0.68 -2.08 118.33 113.60 2xdi n VAL 103 Ca -0.10 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.65 2xdi n VAL 103 Cb 0.90 -0.23 -0.14 0.00 -0.91 0.00 0.00 33.84 33.47 2xdi n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2xdi n LEU 104 N -2.45 1.61 -1.59 7.52 7.94 -0.47 -4.16 117.00 125.41 2xdi n LEU 104 Ca 0.01 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2xdi n LEU 104 Cb 0.51 -0.31 0.30 0.00 0.53 0.00 0.00 43.42 44.45 2xdi n LEU 104 CO 0.39 0.70 0.89 0.18 -1.11 0.00 0.00 177.39 178.44 2xdi n LEU 105 N -3.09 5.23 0.00 -1.96 4.77 -0.80 -4.74 117.00 116.41 2xdi n LEU 105 Ca -0.35 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 2xdi n LEU 105 Cb 1.07 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2xdi n LEU 105 CO 0.37 0.79 0.42 1.17 -1.33 0.00 0.00 177.39 178.81 2xdi n LYS 106 N -0.23 0.00 -3.35 3.23 3.00 -0.88 -4.87 118.16 115.05 2xdi n LYS 106 Ca 0.33 0.72 -0.27 0.00 -0.00 0.00 0.00 58.31 59.09 2xdi n LYS 106 Cb 1.19 -1.34 0.03 0.00 0.00 0.00 0.00 35.03 34.90 2xdi n LYS 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2xdi n SER 107 N -2.15 -6.06 0.00 3.14 7.64 -1.26 -5.05 113.62 109.87 2xdi n SER 107 Ca 0.00 0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.98 2xdi n SER 107 Cb 0.00 -2.15 0.10 0.00 -1.01 0.00 0.00 64.21 61.15 2xdi n SER 107 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13