#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi h SER 5 N 0.00 -0.19 -4.15 1.08 0.02 -1.99 -3.37 113.55 104.95 2xdi h SER 5 Ca 0.00 0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.47 2xdi h SER 5 Cb 0.00 0.05 0.06 0.00 0.14 0.00 0.00 62.40 62.65 2xdi h SER 5 CO 0.00 -0.13 0.38 -2.16 -1.14 0.00 0.00 176.83 173.79 2xdi s PRO 6 N -6.16 3.44 -0.29 3.45 0.04 -1.26 -4.48 135.00 129.75 2xdi s PRO 6 Ca -0.14 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 2xdi s PRO 6 Cb 0.06 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2xdi s PRO 6 CO 0.65 -0.72 0.12 0.98 0.04 0.00 0.00 177.00 178.07 2xdi n TYR 7 N -1.67 -3.28 -1.17 0.56 9.36 -1.26 -4.76 117.16 114.93 2xdi n TYR 7 Ca 0.09 1.43 0.13 0.00 3.32 0.00 0.00 57.90 62.87 2xdi n TYR 7 Cb 0.53 -3.50 -0.05 0.00 -0.63 0.00 0.00 39.34 35.69 2xdi n TYR 7 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2xdi n SER 8 N 0.60 -5.98 -3.25 2.98 7.64 -1.26 -4.87 113.62 109.48 2xdi n SER 8 Ca 0.02 0.78 -0.12 0.00 1.01 0.00 0.00 58.87 60.56 2xdi n SER 8 Cb 0.18 -3.79 -0.05 0.00 -1.01 0.00 0.00 64.21 59.53 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xdi s ALA 9 N -3.46 -0.92 0.22 -0.43 0.00 -1.26 -4.52 121.76 111.40 2xdi s ALA 9 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2xdi s ALA 9 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 2xdi s ALA 9 CO 0.00 -2.16 0.44 0.00 0.00 0.00 0.00 175.76 174.04 2xdi s ALA 10 N 1.31 3.75 -0.95 0.00 0.00 -1.26 -4.52 121.76 120.09 2xdi s ALA 10 Ca 0.20 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 2xdi s ALA 10 Cb -0.09 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.92 2xdi s ALA 10 CO -0.05 0.40 0.68 -1.33 0.00 0.00 0.00 175.76 175.46 2xdi n MET 11 N -0.65 -1.21 0.00 0.00 2.81 -1.26 -4.58 117.12 112.24 2xdi n MET 11 Ca -0.03 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 2xdi n MET 11 Cb 0.54 -3.39 0.00 0.00 -0.71 0.00 0.00 33.22 29.66 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 -3.27 0.00 -0.38 3.04 0.00 -1.26 -4.90 120.51 113.73 2xdi n ALA 12 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2xdi n ALA 12 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2xdi n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2xdi n GLU 13 N 0.00 0.00 0.11 0.00 2.13 -1.26 -2.92 120.64 118.70 2xdi n GLU 13 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2xdi n GLU 13 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 2xdi n GLU 13 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2xdi h GLN 14 N 0.00 0.00 -1.24 5.31 4.15 -1.99 -3.47 115.11 117.87 2xdi h GLN 14 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 2xdi h GLN 14 Cb 0.00 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.59 2xdi h GLN 14 CO 0.00 0.00 -0.23 -2.13 -1.93 0.00 0.00 178.83 174.54 2xdi n ARG 15 N -2.64 -1.35 0.05 1.69 3.00 -1.15 -4.74 116.66 111.51 2xdi n ARG 15 Ca 0.01 0.75 0.12 0.00 -0.00 0.00 0.00 57.85 58.73 2xdi n ARG 15 Cb 0.53 -4.96 0.21 0.00 0.00 0.00 0.00 32.46 28.23 2xdi n ARG 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2xdi n HIS 16 N -1.84 0.42 0.10 -0.14 -0.00 -1.26 -3.90 115.22 108.60 2xdi n HIS 16 Ca -0.12 0.12 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2xdi n HIS 16 Cb 0.43 -0.56 -0.14 0.00 -0.12 0.00 0.00 29.99 29.60 2xdi n HIS 16 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2xdi h GLN 17 N 0.00 0.29 0.00 1.57 4.20 -1.93 -3.10 115.11 116.14 2xdi h GLN 17 Ca 0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2xdi h GLN 17 Cb 0.68 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2xdi h GLN 17 CO 0.00 1.22 0.00 0.39 -0.67 0.00 0.00 178.83 179.77 2xdi n GLU 18 N -3.54 0.03 0.07 1.46 1.02 -1.25 -2.28 120.64 116.16 2xdi n GLU 18 Ca -0.10 0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 2xdi n GLU 18 Cb 1.03 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 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 0.49 -0.06 -0.32 2.91 -1.66 -2.72 115.95 114.58 2xdi h TRP 19 Ca 0.00 -0.36 -0.20 0.00 1.13 0.00 0.00 58.89 59.46 2xdi h TRP 19 Cb 0.34 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 2xdi h TRP 19 CO 0.00 1.37 -0.81 -0.07 -1.03 0.00 0.00 178.44 177.90 2xdi h LEU 20 N 0.07 0.56 -0.83 0.65 3.38 -1.49 -1.63 115.31 116.02 2xdi h LEU 20 Ca -0.22 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 2xdi h LEU 20 Cb 2.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2xdi h LEU 20 CO 0.18 1.16 -0.42 -0.09 0.09 0.00 0.00 178.44 179.36 2xdi h ARG 21 N 0.29 0.36 -0.00 1.13 9.65 -1.54 0.37 114.38 124.63 2xdi h ARG 21 Ca -0.05 -0.18 -0.16 0.00 -1.10 0.00 0.00 59.98 58.49 2xdi h ARG 21 Cb 1.42 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.01 2xdi h ARG 21 CO 0.14 0.71 -0.63 0.74 2.80 0.00 0.00 179.97 183.74 2xdi h PHE 22 N 0.30 0.64 -0.51 2.20 -1.00 -1.42 0.18 116.94 117.32 2xdi h PHE 22 Ca 0.03 -0.35 -0.06 0.00 2.81 0.00 0.00 57.97 60.40 2xdi h PHE 22 Cb 0.86 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2xdi h PHE 22 CO 0.02 1.17 0.08 -0.39 -1.61 0.00 0.00 178.31 177.58 2xdi h VAL 23 N -0.07 1.25 -0.45 -0.55 -1.51 -1.22 0.39 116.25 114.08 2xdi h VAL 23 Ca -0.08 -0.94 -0.11 0.00 -1.23 0.00 0.00 66.70 64.35 2xdi h VAL 23 Cb 1.34 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2xdi h VAL 23 CO 0.12 0.34 -0.15 0.44 -1.23 0.00 0.00 177.57 177.10 2xdi h ASP 24 N 0.73 0.85 -0.06 4.19 3.32 -0.28 1.84 116.42 127.00 2xdi h ASP 24 Ca 0.16 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2xdi h ASP 24 Cb 0.40 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2xdi h ASP 24 CO 0.01 1.00 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.39 2xdi h LEU 25 N 0.76 0.17 -0.34 1.55 -0.00 -0.26 0.35 115.31 117.55 2xdi h LEU 25 Ca 0.12 -0.50 -0.08 0.00 -0.00 0.00 0.00 57.88 57.42 2xdi h LEU 25 Cb 0.66 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2xdi h LEU 25 CO 0.05 0.64 -0.10 0.25 -0.00 0.00 0.00 178.44 179.27 2xdi h LEU 26 N -0.28 0.67 -1.28 1.67 5.85 -0.13 0.22 115.31 122.02 2xdi h LEU 26 Ca 0.01 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2xdi h LEU 26 Cb 0.59 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2xdi h LEU 26 CO 0.02 0.89 0.34 0.50 -0.34 0.00 0.00 178.44 179.85 2xdi h LYS 27 N 0.44 0.83 0.00 1.25 3.64 0.29 0.37 116.57 123.39 2xdi h LYS 27 Ca 0.08 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2xdi h LYS 27 Cb 0.61 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2xdi h LYS 27 CO 0.04 0.61 -0.44 -0.97 -2.27 0.00 0.00 179.45 176.41 2xdi h ASN 28 N 0.85 0.00 1.24 4.20 -0.73 0.14 -2.03 115.58 119.25 2xdi h ASN 28 Ca 0.22 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.25 2xdi h ASN 28 Cb 0.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2xdi h ASN 28 CO -0.04 0.44 -0.79 0.00 -0.37 0.00 0.00 177.43 176.68 2xdi h ALA 29 N 1.56 0.63 0.00 1.57 0.00 0.14 -2.69 119.26 120.47 2xdi h ALA 29 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2xdi h ALA 29 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2xdi h ALA 29 CO 0.06 0.78 -0.40 0.98 0.00 0.00 0.00 179.25 180.67 2xdi n TYR 30 N -3.16 0.08 -0.05 0.00 -0.00 0.11 -2.49 117.16 111.65 2xdi n TYR 30 Ca -0.01 0.02 0.01 0.00 -0.00 0.00 0.00 57.90 57.92 2xdi n TYR 30 Cb 0.79 -0.36 -0.16 0.00 -0.00 0.00 0.00 39.34 39.60 2xdi n TYR 30 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 2xdi n GLN 31 N -1.58 0.67 0.00 2.98 0.00 -0.78 -4.31 117.38 114.36 2xdi n GLN 31 Ca 0.06 -0.11 0.10 0.00 -0.00 0.00 0.00 57.00 57.05 2xdi n GLN 31 Cb 0.35 -1.52 -0.09 0.00 0.00 0.00 0.00 30.24 28.98 2xdi n GLN 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2xdi n ASN 32 N -2.50 0.86 -0.16 1.69 2.85 -1.02 -4.94 115.26 112.04 2xdi n ASN 32 Ca -0.18 -0.83 -0.02 0.00 -0.11 0.00 0.00 54.58 53.44 2xdi n ASN 32 Cb 0.85 1.01 -0.01 0.00 1.24 0.00 0.00 39.78 42.87 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 -1.58 -5.50 -0.52 1.20 4.64 -1.04 -4.79 116.55 108.97 2xdi n ASP 33 Ca 0.03 0.05 0.12 0.00 -1.38 0.00 0.00 54.79 53.62 2xdi n ASP 33 Cb 0.35 -3.19 0.44 0.00 -1.04 0.00 0.00 41.12 37.69 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 -0.24 1.60 -0.08 -2.67 -0.00 -1.25 -3.87 117.00 110.50 2xdi n LEU 34 Ca -0.02 -0.62 0.01 0.00 -0.00 0.00 0.00 56.01 55.39 2xdi n LEU 34 Cb 0.44 -0.06 0.06 0.00 -0.00 0.00 0.00 43.42 43.86 2xdi n LEU 34 CO 0.03 0.31 0.54 0.00 -0.00 0.00 0.00 177.39 178.27 2xdi n HIS 35 N 0.26 0.05 -0.34 1.47 1.44 -1.23 -4.27 115.22 112.60 2xdi n HIS 35 Ca 0.17 -0.03 0.04 0.00 -2.01 0.00 0.00 57.72 55.90 2xdi n HIS 35 Cb 0.34 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.57 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 0.25 -0.94 -0.59 2.39 6.46 -1.90 1.83 115.31 122.81 2xdi h LEU 36 Ca 0.00 0.29 -0.12 0.00 -0.12 0.00 0.00 57.88 57.93 2xdi h LEU 36 Cb 0.06 0.60 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2xdi h LEU 36 CO 0.00 -0.31 -0.13 1.55 -0.62 0.00 0.00 178.44 178.93 2xdi h PRO 37 N -0.00 0.99 0.00 5.25 0.13 -1.94 -0.60 132.00 135.82 2xdi h PRO 37 Ca 0.44 -0.37 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 2xdi h PRO 37 Cb 0.68 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2xdi h PRO 37 CO -0.98 1.05 -0.46 1.25 -0.23 0.00 0.00 178.00 178.64 2xdi h LEU 38 N 0.88 0.00 -0.10 1.56 5.85 -0.39 0.12 115.31 123.23 2xdi h LEU 38 Ca 0.13 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 2xdi h LEU 38 Cb 0.69 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 2xdi h LEU 38 CO 0.05 0.46 -0.66 0.25 -0.34 0.00 0.00 178.44 178.20 2xdi h LEU 39 N 0.00 0.75 -0.09 2.25 5.85 0.29 0.16 115.31 124.52 2xdi h LEU 39 Ca -0.00 -0.66 -0.17 0.00 0.84 0.00 0.00 57.88 57.89 2xdi h LEU 39 Cb 1.03 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.85 2xdi h LEU 39 CO 0.06 1.29 -0.59 0.78 -0.34 0.00 0.00 178.44 179.64 2xdi h ASN 40 N 0.26 0.68 -0.65 1.25 4.21 -1.04 1.82 115.58 122.12 2xdi h ASN 40 Ca -0.05 -0.66 -0.01 0.00 1.21 0.00 0.00 56.30 56.78 2xdi h ASN 40 Cb 1.30 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.27 2xdi h ASN 40 CO 0.13 1.23 0.36 0.25 -1.29 0.00 0.00 177.43 178.12 2xdi h LEU 41 N 0.17 0.82 0.07 1.61 5.85 -0.80 -2.51 115.31 120.53 2xdi h LEU 41 Ca -0.05 -0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.33 2xdi h LEU 41 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2xdi h LEU 41 CO 0.12 0.67 -1.40 0.24 -0.34 0.00 0.00 178.44 177.73 2xdi h MET 42 N 0.93 0.16 -6.05 1.25 2.86 -0.53 -3.47 114.93 110.08 2xdi h MET 42 Ca 0.24 -0.27 -0.61 0.00 -2.06 0.00 0.00 59.70 57.00 2xdi h MET 42 Cb 0.03 0.10 0.17 0.00 0.06 0.00 0.00 31.60 31.96 2xdi h MET 42 CO -0.04 1.01 -0.99 1.47 1.06 0.00 0.00 176.91 179.42 2xdi n LEU 43 N -3.38 -2.88 -3.87 1.22 -0.00 0.62 -4.97 117.00 103.74 2xdi n LEU 43 Ca -0.12 0.73 -0.07 0.00 -0.00 0.00 0.00 56.01 56.55 2xdi n LEU 43 Cb 1.02 -0.90 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 2xdi n LEU 43 CO 0.49 -4.36 0.44 0.42 -0.00 0.00 0.00 177.39 174.39 2xdi s THR 44 N -1.84 0.00 -0.05 1.47 -4.23 -1.26 -4.97 115.64 104.77 2xdi s THR 44 Ca 0.59 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.86 2xdi s THR 44 Cb -0.55 -2.05 -0.13 0.00 1.34 0.00 0.00 72.50 71.11 2xdi s THR 44 CO 0.64 0.00 0.80 1.55 -0.54 0.00 0.00 174.62 177.06 2xdi h PRO 45 N 2.03 -0.31 0.00 3.99 0.13 -2.00 -2.88 132.00 132.96 2xdi h PRO 45 Ca -0.20 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 2xdi h PRO 45 Cb 1.25 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2xdi h PRO 45 CO 0.25 0.03 -0.07 0.38 -0.23 0.00 0.00 178.00 178.36 2xdi h ASP 46 N -0.94 0.00 -0.12 1.44 3.04 -1.97 -0.76 116.42 117.10 2xdi h ASP 46 Ca -0.03 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.73 2xdi h ASP 46 Cb 0.48 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.77 2xdi h ASP 46 CO 0.05 0.07 -0.05 -0.08 -2.04 0.00 0.00 179.24 177.20 2xdi h GLU 47 N 0.00 0.25 -0.03 4.15 4.81 -1.95 0.84 114.58 122.65 2xdi h GLU 47 Ca -0.00 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2xdi h GLU 47 Cb 0.29 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2xdi h GLU 47 CO 0.01 0.58 -0.64 -0.09 -0.73 0.00 0.00 179.01 178.14 2xdi h ARG 48 N -0.09 0.11 -0.03 1.92 2.43 -1.24 -0.11 114.38 117.36 2xdi h ARG 48 Ca 0.03 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2xdi h ARG 48 Cb 0.50 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2xdi h ARG 48 CO 0.02 0.71 -0.85 1.49 -1.51 0.00 0.00 179.97 179.82 2xdi h GLU 49 N 0.08 0.41 0.17 0.20 4.81 -1.00 -2.58 114.58 116.67 2xdi h GLU 49 Ca -0.01 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2xdi h GLU 49 Cb 1.15 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2xdi h GLU 49 CO 0.09 1.05 -0.08 0.00 -0.73 0.00 0.00 179.01 179.34 2xdi h ALA 50 N 0.82 -0.23 -0.32 2.92 0.00 0.85 0.35 119.26 123.64 2xdi h ALA 50 Ca -0.06 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2xdi h ALA 50 Cb 1.47 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 2xdi h ALA 50 CO 0.15 -0.24 -0.55 -0.07 0.00 0.00 0.00 179.25 178.54 2xdi h LEU 51 N -1.01 -1.81 -0.73 0.00 3.38 -1.13 0.85 115.31 114.85 2xdi h LEU 51 Ca -0.02 0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2xdi h LEU 51 Cb 0.36 0.73 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 2xdi h LEU 51 CO 0.04 -0.43 0.36 1.23 0.09 0.00 0.00 178.44 179.73 2xdi h GLY 52 N -0.46 1.11 0.52 0.83 0.00 -1.57 -0.68 103.07 102.82 2xdi h GLY 52 Ca 0.06 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.23 2xdi h GLY 52 CO -0.55 0.04 0.10 -0.84 0.00 0.00 0.00 176.54 175.30 2xdi h THR 53 N 0.60 0.80 -0.34 4.70 2.02 0.20 -1.97 112.91 118.92 2xdi h THR 53 Ca 0.37 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.54 2xdi h THR 53 Cb 0.41 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 2xdi h THR 53 CO -0.29 0.04 -0.32 -0.09 0.37 0.00 0.00 175.52 175.24 2xdi h ARG 54 N 0.24 -0.27 -1.04 6.66 2.43 0.20 1.38 114.38 123.98 2xdi h ARG 54 Ca 0.20 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.67 2xdi h ARG 54 Cb 0.23 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.72 2xdi h ARG 54 CO -0.25 -0.18 0.64 0.28 -1.51 0.00 0.00 179.97 178.95 2xdi h VAL 55 N -0.28 0.45 0.08 0.20 2.07 -1.02 0.47 116.25 118.22 2xdi h VAL 55 Ca 0.15 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 2xdi h VAL 55 Cb 0.54 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2xdi h VAL 55 CO -0.49 0.08 -0.49 -0.09 0.02 0.00 0.00 177.57 176.59 2xdi h ARG 56 N 0.42 0.18 -0.27 1.57 2.43 0.35 -1.25 114.38 117.82 2xdi h ARG 56 Ca 0.66 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.59 2xdi h ARG 56 Cb 1.53 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 31.12 2xdi h ARG 56 CO -0.44 1.15 -0.29 0.82 -1.51 0.00 0.00 179.97 179.70 2xdi h ILE 57 N -0.63 0.31 -0.09 1.20 1.08 0.33 0.92 117.51 120.63 2xdi h ILE 57 Ca -0.09 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.22 2xdi h ILE 57 Cb 1.39 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 2xdi h ILE 57 CO 0.09 0.00 -0.64 0.58 -0.69 0.00 0.00 178.15 177.49 2xdi h VAL 58 N -0.28 1.37 0.19 1.67 2.07 -1.12 -2.53 116.25 117.62 2xdi h VAL 58 Ca 0.14 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 2xdi h VAL 58 Cb 0.51 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2xdi h VAL 58 CO -0.43 0.60 -0.09 -0.08 0.02 0.00 0.00 177.57 177.59 2xdi h GLU 59 N 0.26 -0.24 -0.30 1.57 4.81 0.01 -2.62 114.58 118.07 2xdi h GLU 59 Ca -0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2xdi h GLU 59 Cb 1.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2xdi h GLU 59 CO 0.11 0.05 0.18 1.05 -0.73 0.00 0.00 179.01 179.67 2xdi h GLU 60 N -0.54 0.41 -0.66 1.92 4.11 0.77 0.13 114.58 120.72 2xdi h GLU 60 Ca -0.03 -0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.39 2xdi h GLU 60 Cb 0.41 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2xdi h GLU 60 CO 0.04 0.29 0.43 1.25 0.07 0.00 0.00 179.01 181.09 2xdi h LEU 61 N 0.42 0.72 -0.77 3.06 7.12 -1.24 1.00 115.31 125.61 2xdi h LEU 61 Ca 0.11 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 2xdi h LEU 61 Cb -0.01 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2xdi h LEU 61 CO -0.02 0.51 -0.02 0.25 -0.13 0.00 0.00 178.44 179.03 2xdi h LEU 62 N 0.86 0.00 -0.70 2.25 5.85 -0.90 -2.94 115.31 119.71 2xdi h LEU 62 Ca 0.25 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 2xdi h LEU 62 Cb -0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2xdi h LEU 62 CO -0.08 0.02 -0.63 0.03 -0.34 0.00 0.00 178.44 177.44 2xdi h ARG 63 N 0.00 0.06 0.00 1.25 2.47 0.11 -3.47 114.38 114.80 2xdi h ARG 63 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2xdi h ARG 63 Cb 0.76 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2xdi h ARG 63 CO 0.00 0.67 0.00 0.41 0.56 0.00 0.00 179.97 181.61 2xdi n GLY 64 N 0.30 1.00 1.30 0.04 0.00 -0.38 -5.03 105.19 102.42 2xdi n GLY 64 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 3.72 -0.89 1.61 -0.58 -1.06 -4.70 120.64 118.74 2xdi n GLU 65 Ca 0.00 -2.93 -0.10 0.00 -0.42 0.00 0.00 57.16 53.71 2xdi n GLU 65 Cb 0.00 -1.98 -0.15 0.00 -0.57 0.00 0.00 31.44 28.75 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2xdi n MET 66 N 0.08 1.77 0.12 3.49 2.81 -1.26 -3.49 117.12 120.64 2xdi n MET 66 Ca 0.24 -0.86 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 2xdi n MET 66 Cb 0.99 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2xdi n SER 67 N 2.48 -0.76 0.08 7.83 2.88 -1.26 -4.63 113.62 120.25 2xdi n SER 67 Ca 0.37 0.43 0.13 0.00 -1.33 0.00 0.00 58.87 58.46 2xdi n SER 67 Cb 0.82 0.87 0.46 0.00 -0.75 0.00 0.00 64.21 65.61 2xdi n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2xdi n GLN 68 N -3.21 0.18 -0.00 -1.46 7.27 -1.25 -3.23 117.38 115.67 2xdi n GLN 68 Ca 0.00 0.21 0.05 0.00 0.07 0.00 0.00 57.00 57.33 2xdi n GLN 68 Cb 0.00 -1.73 -0.07 0.00 2.41 0.00 0.00 30.24 30.85 2xdi n GLN 68 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2xdi n ARG 69 N -2.05 2.30 0.09 3.69 5.12 -1.23 -4.51 116.66 120.07 2xdi n ARG 69 Ca 0.05 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.79 2xdi n ARG 69 Cb 0.36 -1.09 -0.14 0.00 -1.16 0.00 0.00 32.46 30.43 2xdi n ARG 69 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2xdi h GLU 70 N 0.00 0.21 0.00 5.56 4.57 -1.73 -3.14 114.58 120.05 2xdi h GLU 70 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2xdi h GLU 70 Cb 0.34 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2xdi h GLU 70 CO 0.00 1.15 0.00 1.47 -1.18 0.00 0.00 179.01 180.45 2xdi n LEU 71 N -3.48 0.40 0.00 1.64 -0.00 -1.20 -0.98 117.00 113.38 2xdi n LEU 71 Ca -0.08 0.67 0.11 0.00 -0.00 0.00 0.00 56.01 56.72 2xdi n LEU 71 Cb 1.01 -0.71 0.66 0.00 -0.00 0.00 0.00 43.42 44.38 2xdi n LEU 71 CO 0.52 -0.77 0.85 0.29 -0.00 0.00 0.00 177.39 178.28 2xdi n LYS 72 N -2.03 0.70 0.00 1.47 4.76 -1.19 -3.04 118.16 118.83 2xdi n LYS 72 Ca -0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2xdi n LYS 72 Cb 0.05 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.16 2xdi n LYS 72 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2xdi n ASN 73 N -1.00 0.00 -0.73 4.39 5.15 -0.15 -1.19 115.26 121.74 2xdi n ASN 73 Ca 0.17 -0.11 0.10 0.00 -0.60 0.00 0.00 54.58 54.14 2xdi n ASN 73 Cb 0.08 -0.20 0.06 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.20 1.80 -0.00 1.20 2.13 -1.17 -4.17 120.64 119.22 2xdi n GLU 74 Ca 0.09 -1.52 0.06 0.00 0.66 0.00 0.00 57.16 56.44 2xdi n GLU 74 Cb 0.10 -1.41 -0.08 0.00 0.27 0.00 0.00 31.44 30.32 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 0.82 0.00 -3.48 4.31 3.72 -0.33 -5.10 117.46 117.39 2xdi n PHE 75 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2xdi n PHE 75 Cb 0.50 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.88 -0.66 7.00 1.37 0.00 -0.99 -5.02 105.19 108.76 2xdi n GLY 76 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 3.71 0.00 0.28 4.61 0.00 -1.26 -2.99 120.51 124.86 2xdi n ALA 77 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2xdi n ALA 77 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 2xdi n ALA 77 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2xdi h GLY 78 N 0.00 0.00 -0.22 0.00 0.00 -1.95 0.24 103.07 101.14 2xdi h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2xdi h GLY 78 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2xdi n ILE 79 N -2.63 0.07 0.00 2.60 -6.64 -1.16 -2.76 119.36 108.84 2xdi n ILE 79 Ca -0.02 -0.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 2xdi n ILE 79 Cb 0.36 0.01 0.00 0.00 -1.44 0.00 0.00 39.64 38.57 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2xdi n ALA 80 N -0.34 1.67 -0.13 -1.28 0.00 0.83 -4.64 120.51 116.60 2xdi n ALA 80 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 2xdi n ALA 80 Cb 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.40 2xdi n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2xdi n THR 81 N -1.08 1.53 -0.14 0.00 -1.04 -1.20 -3.12 114.28 109.23 2xdi n THR 81 Ca 0.00 -0.41 0.26 0.00 -2.04 0.00 0.00 64.05 61.86 2xdi n THR 81 Cb 0.00 -1.80 0.70 0.00 -1.82 0.00 0.00 70.33 67.41 2xdi n THR 81 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2xdi h ILE 82 N -0.79 0.61 -1.02 12.58 2.04 -1.82 -1.38 117.51 127.73 2xdi h ILE 82 Ca -0.66 -0.01 -0.50 0.00 1.00 0.00 0.00 64.86 64.69 2xdi h ILE 82 Cb 1.66 0.57 -0.42 0.00 -0.74 0.00 0.00 36.82 37.89 2xdi h ILE 82 CO -0.34 0.01 -0.88 0.41 0.00 0.00 0.00 178.15 177.35 2xdi n THR 83 N -4.32 2.10 0.00 -0.27 -1.04 -1.26 -5.08 114.28 104.42 2xdi n THR 83 Ca 0.16 -4.16 0.00 0.00 -2.04 0.00 0.00 64.05 58.02 2xdi n THR 83 Cb 0.85 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.53 1.05 -1.35 -2.82 0.00 -0.52 -4.76 116.66 107.74 2xdi n ARG 84 Ca 0.33 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.74 2xdi n ARG 84 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.27 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 85 N 0.00 -2.30 3.52 5.14 0.00 -1.26 -4.66 105.19 105.63 2xdi n GLY 85 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 2.10 3.06 -4.49 1.61 2.88 -1.26 -4.86 113.62 112.65 2xdi n SER 86 Ca 0.13 -2.70 -0.43 0.00 -1.33 0.00 0.00 58.87 54.54 2xdi n SER 86 Cb 0.36 -1.66 -0.03 0.00 -0.75 0.00 0.00 64.21 62.13 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2xdi s ASN 87 N 6.23 6.58 0.00 -3.46 0.02 -1.26 -4.90 114.94 118.16 2xdi s ASN 87 Ca 0.67 -1.83 0.00 0.00 -1.02 0.00 0.00 52.86 50.68 2xdi s ASN 87 Cb 0.01 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.82 2xdi s ASN 87 CO 0.13 -1.22 0.00 -0.24 0.02 0.00 0.00 177.10 175.79 2xdi n SER 88 N 7.39 0.00 0.16 -1.22 2.88 -1.26 -4.23 113.62 117.34 2xdi n SER 88 Ca 0.27 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.92 2xdi n SER 88 Cb 0.50 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.53 2xdi n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2xdi n LEU 89 N 0.00 0.59 0.00 2.46 4.32 -1.26 -0.33 117.00 122.78 2xdi n LEU 89 Ca 0.00 0.74 0.12 0.00 -0.02 0.00 0.00 56.01 56.86 2xdi n LEU 89 Cb 0.00 -0.77 0.69 0.00 -1.62 0.00 0.00 43.42 41.71 2xdi n LEU 89 CO 0.00 -0.86 0.92 2.29 -1.22 0.00 0.00 177.39 178.52 2xdi n LYS 90 N -2.26 0.57 0.00 3.23 -0.00 -1.26 -3.11 118.16 115.33 2xdi n LYS 90 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2xdi n LYS 90 Cb 0.08 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 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 -1.15 0.78 -2.60 0.58 0.00 0.55 -5.08 120.51 113.60 2xdi n ALA 91 Ca 0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2xdi n ALA 91 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.05 -3.09 -0.03 0.00 0.00 -0.76 -4.71 120.51 111.87 2xdi n ALA 92 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 53.44 54.18 2xdi n ALA 92 Cb 0.14 -2.74 -0.10 0.00 0.00 0.00 0.00 19.45 16.75 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 1.82 0.22 0.00 0.00 0.13 -1.89 -0.55 132.00 131.73 2xdi h PRO 93 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2xdi h PRO 93 Cb 0.68 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2xdi h PRO 93 CO 0.15 0.80 0.19 0.28 -0.23 0.00 0.00 178.00 179.20 2xdi h VAL 94 N -0.31 0.00 0.16 1.56 2.07 -1.93 0.91 116.25 118.71 2xdi h VAL 94 Ca -0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.17 2xdi h VAL 94 Cb 0.83 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2xdi h VAL 94 CO 0.04 0.00 -1.73 -0.08 0.02 0.00 0.00 177.57 175.82 2xdi h GLU 95 N 0.00 0.35 -0.39 1.57 4.57 -1.78 -2.85 114.58 116.04 2xdi h GLU 95 Ca 0.00 -0.59 -0.09 0.00 -1.18 0.00 0.00 59.36 57.50 2xdi h GLU 95 Cb 0.39 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2xdi h GLU 95 CO 0.00 1.28 -0.12 1.25 -1.18 0.00 0.00 179.01 180.24 2xdi h LEU 96 N 0.02 0.79 -1.71 1.64 6.46 0.11 -2.38 115.31 120.23 2xdi h LEU 96 Ca -0.35 -0.38 -0.04 0.00 -0.12 0.00 0.00 57.88 57.00 2xdi h LEU 96 Cb 2.02 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.73 2xdi h LEU 96 CO 0.14 0.98 -0.17 0.03 -0.62 0.00 0.00 178.44 178.80 2xdi h ARG 97 N 0.58 0.00 -0.33 1.25 3.08 0.52 -2.34 114.38 117.14 2xdi h ARG 97 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2xdi h ARG 97 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2xdi h ARG 97 CO 0.04 0.17 0.10 1.96 -1.07 0.00 0.00 179.97 181.18 2xdi h GLN 98 N 0.00 0.51 -0.23 0.04 1.08 -1.18 0.32 115.11 115.65 2xdi h GLN 98 Ca -0.00 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2xdi h GLN 98 Cb 0.32 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2xdi h GLN 98 CO 0.02 0.55 0.12 2.35 -0.95 0.00 0.00 178.83 180.92 2xdi h TRP 99 N 0.38 0.23 -0.68 2.96 -0.00 -1.16 -1.64 115.95 116.05 2xdi h TRP 99 Ca 0.11 0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 58.95 2xdi h TRP 99 Cb 0.25 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.31 2xdi h TRP 99 CO 0.01 0.14 0.19 -0.07 -0.00 0.00 0.00 178.44 178.70 2xdi h LEU 100 N 0.26 1.00 -1.45 0.65 3.38 -1.33 -1.99 115.31 115.82 2xdi h LEU 100 Ca 0.09 -0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.07 2xdi h LEU 100 Cb 0.01 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2xdi h LEU 100 CO -0.05 0.94 0.60 -0.08 0.09 0.00 0.00 178.44 179.94 2xdi h GLU 101 N 1.02 0.44 0.01 1.13 4.81 0.54 1.69 114.58 124.21 2xdi h GLU 101 Ca 0.22 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 2xdi h GLU 101 Cb 0.32 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2xdi h GLU 101 CO -0.00 0.29 -0.57 0.93 -0.73 0.00 0.00 179.01 178.93 2xdi h GLU 102 N 0.46 0.37 0.00 1.92 4.39 -0.63 0.78 114.58 121.88 2xdi h GLU 102 Ca 0.48 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2xdi h GLU 102 Cb 1.12 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2xdi h GLU 102 CO -0.20 1.09 0.00 0.28 -1.16 0.00 0.00 179.01 179.02 2xdi n VAL 103 N -4.25 0.56 -0.09 3.13 0.31 -0.34 -1.87 118.33 115.78 2xdi n VAL 103 Ca -0.10 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 2xdi n VAL 103 Cb 0.66 -0.77 -0.13 0.00 -0.91 0.00 0.00 33.84 32.70 2xdi n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2xdi n LEU 104 N -1.91 0.56 -1.72 7.52 4.77 0.56 -4.32 117.00 122.46 2xdi n LEU 104 Ca 0.05 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2xdi n LEU 104 Cb 0.31 0.19 0.36 0.00 -2.33 0.00 0.00 43.42 41.96 2xdi n LEU 104 CO 0.24 0.50 0.81 -0.11 -1.33 0.00 0.00 177.39 177.50 2xdi n LEU 105 N -2.71 5.16 0.00 2.23 7.94 0.27 -4.94 117.00 124.95 2xdi n LEU 105 Ca -0.29 -2.62 0.00 0.00 -1.11 0.00 0.00 56.01 51.99 2xdi n LEU 105 Cb 1.02 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2xdi n LEU 105 CO 0.33 0.62 0.00 0.29 -1.11 0.00 0.00 177.39 177.52 2xdi n LYS 106 N 0.64 0.48 -2.57 1.96 5.02 -0.78 -3.82 118.16 119.08 2xdi n LYS 106 Ca 0.25 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.50 2xdi n LYS 106 Cb 1.07 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 36.07 2xdi n LYS 106 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2xdi n SER 107 N -0.61 -1.70 -0.24 4.39 3.41 -1.26 -5.10 113.62 112.52 2xdi n SER 107 Ca 0.00 0.36 0.03 0.00 -0.26 0.00 0.00 58.87 59.00 2xdi n SER 107 Cb 0.00 -1.55 0.02 0.00 -0.26 0.00 0.00 64.21 62.42 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21