#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djo n GLU 2 N 0.00 2.02 -1.83 1.64 2.13 -1.26 -4.93 120.64 118.41 3djo n GLU 2 Ca 0.00 0.73 -0.34 0.00 0.66 0.00 0.00 57.16 58.21 3djo n GLU 2 Cb 0.00 -2.50 0.04 0.00 0.27 0.00 0.00 31.44 29.26 3djo n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djo s SER 3 N 1.52 5.13 0.23 4.31 1.04 -1.26 -4.84 113.70 119.84 3djo s SER 3 Ca 0.83 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 59.27 3djo s SER 3 Cb -0.72 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.05 3djo s SER 3 CO 0.42 -1.62 1.91 0.00 0.98 0.00 0.00 173.24 174.93 3djo h ALA 4 N 0.26 1.14 -0.33 5.32 0.00 -1.99 0.54 119.26 124.21 3djo h ALA 4 Ca -0.48 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3djo h ALA 4 Cb 1.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3djo h ALA 4 CO 0.54 0.54 0.18 0.00 0.00 0.00 0.00 179.25 180.51 3djo h ALA 5 N 1.33 0.41 -0.34 0.00 0.00 -2.00 -0.50 119.26 118.16 3djo h ALA 5 Ca 0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3djo h ALA 5 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3djo h ALA 5 CO -0.07 -0.18 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 3djo h ALA 6 N 1.15 0.98 -0.65 0.00 0.00 -1.84 -2.03 119.26 116.86 3djo h ALA 6 Ca 0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3djo h ALA 6 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3djo h ALA 6 CO -0.07 0.60 0.20 -0.22 0.00 0.00 0.00 179.25 179.75 3djo h LYS 7 N 0.58 1.02 -0.44 0.00 3.64 -0.55 0.23 116.57 121.05 3djo h LYS 7 Ca 0.08 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3djo h LYS 7 Cb 0.69 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3djo h LYS 7 CO 0.05 0.90 0.26 0.35 -2.27 0.00 0.00 179.45 178.74 3djo h PHE 8 N 0.95 0.59 -0.45 1.91 3.04 -0.87 -0.52 116.94 121.59 3djo h PHE 8 Ca 0.21 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 3djo h PHE 8 Cb 0.31 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 3djo h PHE 8 CO 0.02 0.42 0.24 0.93 -2.02 0.00 0.00 178.31 177.90 3djo h GLU 9 N 0.58 0.63 -0.22 1.11 5.08 -1.07 0.11 114.58 120.79 3djo h GLU 9 Ca 0.16 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3djo h GLU 9 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3djo h GLU 9 CO -0.03 0.51 0.10 -0.09 -1.00 0.00 0.00 179.01 178.49 3djo h ARG 10 N 0.58 0.20 0.00 2.33 2.43 -0.81 -1.87 114.38 117.24 3djo h ARG 10 Ca 0.16 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 3djo h ARG 10 Cb 0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3djo h ARG 10 CO -0.02 0.14 -0.73 1.96 -1.51 0.00 0.00 179.97 179.80 3djo h GLN 11 N 0.21 0.00 0.00 0.20 4.20 -0.89 -3.41 115.11 115.42 3djo h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3djo h GLN 11 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3djo h GLN 11 CO -0.07 0.73 -0.09 0.72 -0.67 0.00 0.00 178.83 179.45 3djo n HIS 12 N -3.35 0.00 -3.82 2.96 8.25 0.35 -5.03 115.22 114.58 3djo n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 3djo n HIS 12 Cb 0.80 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.79 3djo n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djo s MET 13 N -0.69 3.79 -0.39 -0.41 -1.94 -0.71 -4.98 119.30 113.97 3djo s MET 13 Ca 0.00 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.65 3djo s MET 13 Cb 0.00 -3.34 0.26 0.00 2.01 0.00 0.00 34.83 33.77 3djo s MET 13 CO 0.00 -0.05 0.57 -3.47 -0.01 0.00 0.00 175.02 172.06 3djo n ASP 14 N 4.53 0.08 -4.72 3.03 2.03 -1.26 -4.86 116.55 115.39 3djo n ASP 14 Ca -0.16 -2.77 -0.42 0.00 0.52 0.00 0.00 54.79 51.96 3djo n ASP 14 Cb 0.52 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 3djo n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3djo s SER 15 N -1.37 6.62 0.00 1.67 0.01 -1.26 -4.91 113.70 114.46 3djo s SER 15 Ca 0.35 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.20 3djo s SER 15 Cb 0.20 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3djo s SER 15 CO -0.11 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.35 3djo n GLY 16 N 3.65 2.48 0.09 3.44 0.00 -1.26 -5.03 105.19 108.56 3djo n GLY 16 Ca 0.13 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3djo n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djo h ASN 17 N 0.00 0.23 -2.04 1.61 2.35 -2.08 -3.41 115.58 112.24 3djo h ASN 17 Ca 0.00 -0.31 -0.56 0.00 -0.55 0.00 0.00 56.30 54.88 3djo h ASN 17 Cb 0.00 -0.08 -0.40 0.00 0.05 0.00 0.00 38.32 37.90 3djo h ASN 17 CO 0.00 1.26 -1.03 -1.20 -1.65 0.00 0.00 177.43 174.81 3djo n SER 18 N -3.36 0.98 0.07 5.81 7.64 -1.26 -4.98 113.62 118.52 3djo n SER 18 Ca -0.12 -2.89 0.08 0.00 1.01 0.00 0.00 58.87 56.95 3djo n SER 18 Cb 1.02 -0.64 0.53 0.00 -1.01 0.00 0.00 64.21 64.11 3djo n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3djo h PRO 19 N 3.85 0.29 -0.01 1.43 0.13 -1.91 -2.72 132.00 133.06 3djo h PRO 19 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3djo h PRO 19 Cb 0.85 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3djo h PRO 19 CO 0.54 0.19 -0.53 -1.13 -0.23 0.00 0.00 178.00 176.84 3djo n SER 20 N -4.49 1.48 -4.48 1.44 3.41 -1.26 -4.84 113.62 104.89 3djo n SER 20 Ca 0.03 -1.17 -0.40 0.00 -0.26 0.00 0.00 58.87 57.07 3djo n SER 20 Cb 0.18 0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 3djo n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3djo n SER 21 N -0.57 -0.73 0.23 4.04 2.88 -1.03 -4.87 113.62 113.58 3djo n SER 21 Ca 0.09 0.84 0.10 0.00 -1.33 0.00 0.00 58.87 58.56 3djo n SER 21 Cb 0.40 -1.17 0.67 0.00 -0.75 0.00 0.00 64.21 63.37 3djo n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3djo h SER 22 N 0.60 0.00 0.27 -3.46 4.64 -1.93 -1.20 113.55 112.48 3djo h SER 22 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3djo h SER 22 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3djo h SER 22 CO 0.50 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 177.22 3djo h SER 23 N 0.00 0.00 0.22 4.97 4.64 -1.93 -2.04 113.55 119.42 3djo h SER 23 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3djo h SER 23 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3djo h SER 23 CO -0.00 0.01 -0.18 0.59 -0.87 0.00 0.00 176.83 176.38 3djo n ASN 24 N -3.14 0.96 -0.05 4.97 4.13 -0.45 -4.36 115.26 117.32 3djo n ASN 24 Ca -0.02 -0.92 -0.08 0.00 1.68 0.00 0.00 54.58 55.25 3djo n ASN 24 Cb 0.14 0.06 -0.01 0.00 -1.54 0.00 0.00 39.78 38.43 3djo n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3djo h TYR 25 N 1.22 -0.41 -0.80 3.10 3.20 -1.48 -1.78 116.97 120.01 3djo h TYR 25 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3djo h TYR 25 Cb 0.46 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 3djo h TYR 25 CO 0.00 -0.23 0.40 0.00 -1.64 0.00 0.00 178.16 176.68 3djo h ASN 27 N 1.13 0.12 -0.15 0.00 2.35 -1.66 0.15 115.58 117.53 3djo h ASN 27 Ca 0.28 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3djo h ASN 27 Cb 0.10 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3djo h ASN 27 CO -0.04 0.10 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.76 3djo h LEU 28 N 0.30 0.27 -0.26 1.61 3.38 -0.86 -2.95 115.31 116.80 3djo h LEU 28 Ca 0.22 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3djo h LEU 28 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3djo h LEU 28 CO -0.24 0.53 -0.12 0.24 0.09 0.00 0.00 178.44 178.94 3djo h MET 29 N 0.00 0.54 -0.32 1.13 2.86 -0.58 0.85 114.93 119.41 3djo h MET 29 Ca 0.04 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3djo h MET 29 Cb 0.40 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3djo h MET 29 CO 0.01 0.79 0.10 0.52 1.06 0.00 0.00 176.91 179.39 3djo h MET 30 N 0.27 0.45 0.30 1.72 2.86 -0.79 0.11 114.93 119.85 3djo h MET 30 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3djo h MET 30 Cb 0.62 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3djo h MET 30 CO 0.04 0.40 -0.14 0.00 1.06 0.00 0.00 176.91 178.26 3djo n ARG 33 N -4.53 1.76 -3.18 0.00 5.12 0.36 -4.91 116.66 111.29 3djo n ARG 33 Ca 0.11 -0.85 -0.15 0.00 -1.93 0.00 0.00 57.85 55.03 3djo n ARG 33 Cb 0.08 -1.39 0.06 0.00 -1.16 0.00 0.00 32.46 30.05 3djo n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djo n LYS 34 N 0.16 -5.31 -0.25 5.56 4.76 -0.75 -4.93 118.16 117.39 3djo n LYS 34 Ca 0.08 0.59 0.07 0.00 -2.87 0.00 0.00 58.31 56.18 3djo n LYS 34 Cb 0.32 -4.89 0.18 0.00 -1.84 0.00 0.00 35.03 28.80 3djo n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3djo n MET 35 N -3.52 2.55 -1.09 1.97 2.81 -0.05 -4.54 117.12 115.25 3djo n MET 35 Ca -0.07 -2.47 0.04 0.00 -1.81 0.00 0.00 57.70 53.39 3djo n MET 35 Cb 0.57 -1.55 0.12 0.00 -0.71 0.00 0.00 33.22 31.65 3djo n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djo n THR 36 N -0.51 1.31 -3.56 2.03 -2.24 -1.21 -1.51 114.28 108.58 3djo n THR 36 Ca 0.16 -2.38 -0.40 0.00 -2.27 0.00 0.00 64.05 59.16 3djo n THR 36 Cb 0.67 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 3djo n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djo s GLN 37 N -1.98 3.55 0.00 -0.78 -0.21 -1.26 -4.54 119.66 114.44 3djo s GLN 37 Ca 0.37 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3djo s GLN 37 Cb 0.38 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.65 3djo s GLN 37 CO -0.10 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.08 3djo n GLY 38 N 5.07 2.32 3.35 3.09 0.00 -1.26 -4.89 105.19 112.88 3djo n GLY 38 Ca -0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3djo n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djo s LYS 39 N 0.00 1.13 -0.17 1.61 0.00 -1.26 -5.04 119.74 116.01 3djo s LYS 39 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 55.97 54.71 3djo s LYS 39 Cb 0.00 0.42 -0.00 0.00 0.00 0.00 0.00 37.83 38.25 3djo s LYS 39 CO 0.00 -0.43 0.98 0.00 0.00 0.00 0.00 175.35 175.91 3djo s LYS 41 N 2.49 4.16 0.16 0.00 2.20 -0.57 -4.90 119.74 123.29 3djo s LYS 41 Ca 0.45 2.48 -0.11 0.00 -0.36 0.00 0.00 55.97 58.43 3djo s LYS 41 Cb -0.17 -3.73 0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3djo s LYS 41 CO 0.12 -0.83 1.62 -1.35 -0.36 0.00 0.00 175.35 174.56 3djo h PRO 42 N 8.94 0.95 -3.52 4.03 0.11 -1.94 -3.43 132.00 137.14 3djo h PRO 42 Ca -0.45 -0.29 -0.28 0.00 0.11 0.00 0.00 66.00 65.09 3djo h PRO 42 Cb 1.21 -0.09 -0.32 0.00 0.11 0.00 0.00 31.00 31.91 3djo h PRO 42 CO 0.94 0.95 -0.71 0.08 -0.21 0.00 0.00 178.00 179.05 3djo s VAL 43 N -5.05 -0.05 -0.18 3.15 1.01 -1.26 -1.38 120.40 116.64 3djo s VAL 43 Ca -0.12 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 3djo s VAL 43 Cb 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.47 3djo s VAL 43 CO 0.83 0.07 0.45 0.21 0.00 0.00 0.00 175.10 176.67 3djo s ASN 44 N 0.88 -0.53 -0.15 3.32 2.47 -0.05 -5.02 114.94 115.85 3djo s ASN 44 Ca -0.07 0.95 -0.05 0.00 0.42 0.00 0.00 52.86 54.11 3djo s ASN 44 Cb -0.10 0.90 -0.04 0.00 -1.45 0.00 0.00 41.25 40.56 3djo s ASN 44 CO -0.03 -0.18 0.02 -0.89 -3.72 0.00 0.00 177.10 172.31 3djo s THR 45 N 0.84 4.46 -0.05 -5.21 2.01 -1.26 -0.53 115.64 115.89 3djo s THR 45 Ca -0.05 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3djo s THR 45 Cb -0.06 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3djo s THR 45 CO -0.07 0.50 0.03 -0.36 -0.69 0.00 0.00 174.62 174.04 3djo s PHE 46 N 0.07 3.20 -0.12 4.92 0.08 0.16 -4.96 117.98 121.33 3djo s PHE 46 Ca 0.03 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 3djo s PHE 46 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3djo s PHE 46 CO 0.01 0.51 -0.11 0.08 -0.10 0.00 0.00 175.22 175.61 3djo s VAL 47 N -1.01 3.28 -2.83 -0.44 1.01 -1.26 -0.35 120.40 118.80 3djo s VAL 47 Ca 0.17 -0.59 0.24 0.00 0.00 0.00 0.00 61.98 61.80 3djo s VAL 47 Cb -0.12 -2.38 0.25 0.00 0.00 0.00 0.00 36.38 34.13 3djo s VAL 47 CO 0.07 0.53 1.29 1.41 0.00 0.00 0.00 175.10 178.39 3djo n HIS 48 N 3.34 0.13 -1.94 5.22 -0.00 0.11 -4.96 115.22 117.11 3djo n HIS 48 Ca -0.18 -0.07 -0.30 0.00 -0.00 0.00 0.00 57.72 57.18 3djo n HIS 48 Cb 0.53 -0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.57 3djo n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djo s GLU 49 N -1.84 2.77 0.30 -0.41 0.41 -1.26 -4.98 118.70 113.69 3djo s GLU 49 Ca 0.31 0.37 -0.28 0.00 -0.41 0.00 0.00 54.97 54.96 3djo s GLU 49 Cb 0.21 -2.04 -0.14 0.00 -1.78 0.00 0.00 34.13 30.38 3djo s GLU 49 CO 0.30 -1.06 1.02 0.45 -0.49 0.00 0.00 175.26 175.48 3djo n SER 50 N -2.99 1.35 -0.21 -0.19 2.88 -1.26 -4.84 113.62 108.35 3djo n SER 50 Ca 0.07 1.17 0.10 0.00 -1.33 0.00 0.00 58.87 58.87 3djo n SER 50 Cb 0.58 -1.30 0.38 0.00 -0.75 0.00 0.00 64.21 63.11 3djo n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3djo h LEU 51 N 1.97 0.63 -0.93 2.46 5.85 -1.96 -1.33 115.31 122.00 3djo h LEU 51 Ca -0.40 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3djo h LEU 51 Cb 1.34 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 3djo h LEU 51 CO 0.60 0.37 0.61 0.00 -0.34 0.00 0.00 178.44 179.68 3djo h ALA 52 N 1.61 1.18 -0.36 1.25 0.00 -1.99 0.19 119.26 121.15 3djo h ALA 52 Ca 0.37 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3djo h ALA 52 Cb 0.50 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3djo h ALA 52 CO -0.14 0.56 -0.24 -0.44 0.00 0.00 0.00 179.25 178.99 3djo h ASP 53 N 1.25 0.72 -0.15 0.00 3.32 -1.63 -0.96 116.42 118.97 3djo h ASP 53 Ca 0.34 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3djo h ASP 53 Cb -0.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3djo h ASP 53 CO -0.08 0.94 -0.29 0.58 -1.72 0.00 0.00 179.24 178.67 3djo h VAL 54 N 0.62 1.36 -0.77 -1.35 2.07 -0.89 -2.96 116.25 114.34 3djo h VAL 54 Ca 0.08 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 66.12 3djo h VAL 54 Cb 0.73 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3djo h VAL 54 CO 0.06 0.46 0.50 0.11 0.02 0.00 0.00 177.57 178.72 3djo h LYS 55 N 0.09 0.81 -0.10 1.57 1.57 -0.60 -2.34 116.57 117.56 3djo h LYS 55 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3djo h LYS 55 Cb 0.88 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3djo h LYS 55 CO 0.07 0.53 0.08 0.00 -0.57 0.00 0.00 179.45 179.56 3djo h ALA 56 N 1.58 1.92 -0.46 3.86 0.00 -1.00 -2.04 119.26 123.12 3djo h ALA 56 Ca 0.33 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.35 3djo h ALA 56 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3djo h ALA 56 CO -0.11 -0.13 0.33 0.28 0.00 0.00 0.00 179.25 179.62 3djo h VAL 57 N 0.00 0.81 0.00 0.00 2.07 -1.37 -0.22 116.25 117.54 3djo h VAL 57 Ca 0.05 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3djo h VAL 57 Cb 0.20 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3djo h VAL 57 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3djo n SER 59 N -1.25 2.22 0.00 0.00 7.64 -0.10 -5.03 113.62 117.10 3djo n SER 59 Ca 0.05 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.72 3djo n SER 59 Cb 0.08 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3djo n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3djo n GLN 60 N -0.54 2.14 -2.50 1.43 6.02 -0.15 -5.02 117.38 118.75 3djo n GLN 60 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 3djo n GLN 60 Cb 0.35 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.59 3djo n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djo s LYS 61 N 4.71 4.07 0.24 -1.09 2.20 -1.12 -4.89 119.74 123.86 3djo s LYS 61 Ca 0.00 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.63 3djo s LYS 61 Cb 0.00 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 3djo s LYS 61 CO 0.00 -0.91 1.41 0.15 -0.36 0.00 0.00 175.35 175.64 3djo s LYS 62 N 3.77 4.29 0.01 4.03 1.02 -1.26 0.45 119.74 132.06 3djo s LYS 62 Ca 0.52 2.26 -0.06 0.00 0.02 0.00 0.00 55.97 58.70 3djo s LYS 62 Cb -0.17 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3djo s LYS 62 CO 0.17 -0.38 0.11 0.14 -0.92 0.00 0.00 175.35 174.47 3djo s VAL 63 N -0.03 0.09 0.26 3.17 -7.23 -0.54 -4.81 120.40 111.31 3djo s VAL 63 Ca 0.58 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 3djo s VAL 63 Cb -0.41 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.99 3djo s VAL 63 CO 0.43 -0.42 1.19 -0.89 -0.31 0.00 0.00 175.10 175.10 3djo s THR 64 N -1.52 3.29 0.67 5.32 2.01 -1.26 -3.46 115.64 120.69 3djo s THR 64 Ca -0.14 1.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.92 3djo s THR 64 Cb -0.07 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3djo s THR 64 CO 0.01 0.26 1.14 0.00 -0.69 0.00 0.00 174.62 175.34 3djo h LYS 66 N 0.07 0.67 -0.19 0.00 1.57 -1.90 -1.11 116.57 115.68 3djo h LYS 66 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3djo h LYS 66 Cb 1.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3djo h LYS 66 CO 0.53 0.44 0.00 0.27 -0.57 0.00 0.00 179.45 180.12 3djo n ASN 67 N -4.59 1.15 0.00 0.86 0.23 -1.26 -4.89 115.26 106.75 3djo n ASN 67 Ca 0.19 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 3djo n ASN 67 Cb 0.51 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3djo n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3djo n GLY 68 N 0.90 1.37 3.73 4.83 0.00 -0.42 -5.04 105.19 110.55 3djo n GLY 68 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3djo n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djo s GLN 69 N -0.47 1.71 -0.20 1.61 -0.21 -1.26 -4.80 119.66 116.04 3djo s GLN 69 Ca 0.00 1.33 0.13 0.00 0.02 0.00 0.00 55.36 56.83 3djo s GLN 69 Cb 0.00 -1.82 0.43 0.00 1.00 0.00 0.00 33.01 32.62 3djo s GLN 69 CO 0.00 -2.08 1.20 0.25 -2.12 0.00 0.00 175.29 172.55 3djo n THR 70 N -3.84 1.96 -1.64 -0.19 -2.24 -1.26 -1.41 114.28 105.67 3djo n THR 70 Ca 0.10 -3.15 0.06 0.00 -2.27 0.00 0.00 64.05 58.79 3djo n THR 70 Cb 0.53 -0.21 0.16 0.00 -2.10 0.00 0.00 70.33 68.71 3djo n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djo n ASN 71 N -0.82 1.66 -4.93 3.42 6.94 -1.26 -5.00 115.26 115.27 3djo n ASN 71 Ca 0.22 -3.39 -0.27 0.00 -0.02 0.00 0.00 54.58 51.12 3djo n ASN 71 Cb 0.81 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.74 3djo n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djo s TYR 73 N -2.01 -0.18 -0.12 0.00 1.51 0.16 -1.47 117.35 115.24 3djo s TYR 73 Ca 0.40 0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 56.88 3djo s TYR 73 Cb -0.11 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 3djo s TYR 73 CO 0.31 -0.10 0.00 -1.14 -1.11 0.00 0.00 175.55 173.51 3djo s GLN 74 N 0.25 3.32 0.32 -0.62 0.74 0.17 -1.35 119.66 122.49 3djo s GLN 74 Ca -0.01 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 3djo s GLN 74 Cb -0.03 -2.90 -0.11 0.00 1.10 0.00 0.00 33.01 31.08 3djo s GLN 74 CO -0.01 0.53 1.42 -1.54 -0.55 0.00 0.00 175.29 175.14 3djo s SER 75 N -0.39 6.58 0.26 6.67 1.04 0.14 -2.80 113.70 125.20 3djo s SER 75 Ca 0.08 2.81 -0.04 0.00 0.48 0.00 0.00 55.95 59.28 3djo s SER 75 Cb -0.12 -2.65 0.33 0.00 0.10 0.00 0.00 66.02 63.68 3djo s SER 75 CO 0.02 -0.71 1.83 0.07 0.98 0.00 0.00 173.24 175.43 3djo h LYS 76 N 3.89 1.00 -6.09 4.02 2.10 -1.94 -3.43 116.57 116.12 3djo h LYS 76 Ca -0.48 -0.17 -0.56 0.00 -2.00 0.00 0.00 60.65 57.43 3djo h LYS 76 Cb 1.23 -0.17 -0.09 0.00 -0.90 0.00 0.00 32.23 32.30 3djo h LYS 76 CO 0.70 0.82 -0.59 -1.12 -2.00 0.00 0.00 179.45 177.26 3djo s SER 77 N -6.46 4.45 0.65 7.07 0.01 -1.26 -5.08 113.70 113.08 3djo s SER 77 Ca -0.11 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.17 3djo s SER 77 Cb 0.16 -0.67 -0.00 0.00 0.21 0.00 0.00 66.02 65.71 3djo s SER 77 CO 0.81 -0.21 1.11 0.42 0.41 0.00 0.00 173.24 175.79 3djo s THR 78 N -2.44 3.23 0.10 1.44 -4.23 -1.26 -4.52 115.64 107.96 3djo s THR 78 Ca 0.35 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 3djo s THR 78 Cb -0.02 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 3djo s THR 78 CO 0.21 -0.35 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.75 3djo s MET 79 N -4.05 0.96 -0.26 3.99 -1.94 0.51 -4.88 119.30 113.63 3djo s MET 79 Ca 0.67 -1.12 -0.29 0.00 -1.71 0.00 0.00 55.69 53.25 3djo s MET 79 Cb -0.21 -0.95 -0.00 0.00 2.01 0.00 0.00 34.83 35.68 3djo s MET 79 CO 0.41 0.20 1.24 1.03 -0.01 0.00 0.00 175.02 177.88 3djo s ARG 80 N -2.19 4.06 0.16 2.03 0.52 -1.26 -2.09 118.95 120.18 3djo s ARG 80 Ca 0.04 1.36 0.02 0.00 -0.52 0.00 0.00 55.73 56.64 3djo s ARG 80 Cb -0.08 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.54 3djo s ARG 80 CO 0.03 -0.92 -0.03 0.96 0.02 0.00 0.00 175.30 175.36 3djo s ILE 81 N 3.91 0.77 -0.11 1.52 -4.36 -0.46 -0.71 121.20 121.77 3djo s ILE 81 Ca 0.53 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 3djo s ILE 81 Cb -0.17 -2.00 0.02 0.00 1.25 0.00 0.00 42.46 41.55 3djo s ILE 81 CO 0.18 -0.59 -0.15 -0.89 0.24 0.00 0.00 174.94 173.74 3djo s THR 82 N -3.59 1.46 -0.11 8.37 2.01 0.53 -1.80 115.64 122.51 3djo s THR 82 Ca 0.21 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3djo s THR 82 Cb 0.05 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3djo s THR 82 CO 0.02 0.43 0.55 -0.62 -0.69 0.00 0.00 174.62 174.31 3djo s ASP 83 N 1.05 6.77 -0.20 3.53 -1.08 0.27 -0.67 116.67 126.34 3djo s ASP 83 Ca -0.05 0.92 -0.02 0.00 -0.52 0.00 0.00 52.55 52.88 3djo s ASP 83 Cb -0.15 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3djo s ASP 83 CO -0.02 -0.05 -0.11 0.00 0.52 0.00 0.00 175.17 175.51 3djo s ARG 85 N 1.34 0.73 0.28 0.00 0.52 -0.96 -0.87 118.95 119.98 3djo s ARG 85 Ca 0.04 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3djo s ARG 85 Cb -0.14 -0.70 -0.13 0.00 0.52 0.00 0.00 34.95 34.50 3djo s ARG 85 CO -0.06 0.10 1.35 0.39 0.02 0.00 0.00 175.30 177.10 3djo n GLU 86 N 3.21 2.06 -1.86 3.54 1.02 -0.48 -0.46 120.64 127.66 3djo n GLU 86 Ca -0.17 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.40 3djo n GLU 86 Cb 0.55 -2.35 0.06 0.00 -0.02 0.00 0.00 31.44 29.69 3djo n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3djo s THR 87 N -0.48 3.04 -0.92 2.62 -4.23 -0.46 -4.76 115.64 110.44 3djo s THR 87 Ca 0.63 0.34 0.10 0.00 -1.18 0.00 0.00 61.69 61.58 3djo s THR 87 Cb -0.62 -3.32 0.09 0.00 1.34 0.00 0.00 72.50 70.00 3djo s THR 87 CO 0.55 -0.44 1.32 0.61 -0.54 0.00 0.00 174.62 176.11 3djo n GLY 88 N -3.03 -0.83 0.05 3.99 0.00 -1.26 -2.09 105.19 102.02 3djo n GLY 88 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3djo n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3djo n SER 89 N -1.59 0.26 -4.67 1.61 7.64 -1.26 -4.98 113.62 110.63 3djo n SER 89 Ca 0.02 0.10 -0.48 0.00 1.01 0.00 0.00 58.87 59.52 3djo n SER 89 Cb 0.10 1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 64.68 3djo n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3djo n SER 90 N -2.45 3.08 -3.54 6.43 2.88 -0.89 -4.96 113.62 114.18 3djo n SER 90 Ca -0.06 1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 58.41 3djo n SER 90 Cb 0.64 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.61 3djo n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3djo s LYS 91 N 2.10 0.25 0.26 -1.46 2.20 -0.96 -4.91 119.74 117.23 3djo s LYS 91 Ca 0.85 0.66 -0.28 0.00 -0.36 0.00 0.00 55.97 56.84 3djo s LYS 91 Cb -0.72 -0.28 -0.15 0.00 -1.51 0.00 0.00 37.83 35.17 3djo s LYS 91 CO 0.44 -0.45 0.83 0.98 -0.36 0.00 0.00 175.35 176.79 3djo n TYR 92 N 5.36 0.61 1.51 4.03 9.36 -1.26 -0.42 117.16 136.35 3djo n TYR 92 Ca -0.06 0.79 0.04 0.00 3.32 0.00 0.00 57.90 62.00 3djo n TYR 92 Cb 0.50 -2.14 0.16 0.00 -0.63 0.00 0.00 39.34 37.22 3djo n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djo n PRO 93 N 0.81 1.37 -3.11 2.98 -0.04 -1.26 -4.94 135.00 130.81 3djo n PRO 93 Ca 0.12 -0.58 -0.44 0.00 -0.04 0.00 0.00 63.50 62.57 3djo n PRO 93 Cb 0.30 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 3djo n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djo n ASN 94 N -0.07 6.04 -4.77 3.54 4.13 0.44 -5.03 115.26 119.54 3djo n ASN 94 Ca 0.08 -3.26 -0.39 0.00 1.68 0.00 0.00 54.58 52.68 3djo n ASN 94 Cb 0.15 -1.32 -0.02 0.00 -1.54 0.00 0.00 39.78 37.05 3djo n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djo s ALA 96 N -1.27 0.08 0.02 0.00 0.00 -1.26 -4.92 121.76 114.40 3djo s ALA 96 Ca 0.53 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.79 3djo s ALA 96 Cb -0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3djo s ALA 96 CO 0.45 -0.08 -0.20 0.71 0.00 0.00 0.00 175.76 176.63 3djo s TYR 97 N 0.84 1.80 -0.08 0.00 2.02 -1.26 -1.36 117.35 119.31 3djo s TYR 97 Ca -0.07 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 3djo s TYR 97 Cb -0.10 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3djo s TYR 97 CO -0.02 0.04 0.61 0.21 -1.57 0.00 0.00 175.55 174.82 3djo s LYS 98 N -0.90 4.39 -0.25 -0.62 2.47 0.39 -4.66 119.74 120.56 3djo s LYS 98 Ca 0.07 0.70 -0.11 0.00 -1.56 0.00 0.00 55.97 55.08 3djo s LYS 98 Cb -0.08 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.80 3djo s LYS 98 CO 0.01 0.13 0.19 0.99 0.16 0.00 0.00 175.35 176.82 3djo s THR 99 N 0.63 5.33 -0.13 3.43 2.01 -1.26 -2.27 115.64 123.39 3djo s THR 99 Ca 0.33 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 3djo s THR 99 Cb -0.17 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.85 3djo s THR 99 CO 0.15 0.30 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.44 3djo s THR 100 N 1.33 0.93 -0.21 -0.82 2.01 -0.51 -4.96 115.64 113.41 3djo s THR 100 Ca 0.08 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 3djo s THR 100 Cb -0.14 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3djo s THR 100 CO 0.07 0.26 0.46 -1.10 -0.69 0.00 0.00 174.62 173.62 3djo s GLN 101 N 1.73 4.16 0.19 4.92 -0.21 -1.26 -0.57 119.66 128.63 3djo s GLN 101 Ca 0.03 0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.69 3djo s GLN 101 Cb -0.13 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 3djo s GLN 101 CO -0.08 -0.13 0.14 0.14 -2.12 0.00 0.00 175.29 173.24 3djo s VAL 102 N 1.58 0.02 -0.21 1.09 -7.23 -0.74 -5.02 120.40 109.89 3djo s VAL 102 Ca 0.21 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3djo s VAL 102 Cb -0.15 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.42 3djo s VAL 102 CO 0.09 -0.08 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.03 3djo s GLU 103 N -4.13 2.72 0.11 4.82 2.02 -1.26 -1.35 118.70 121.62 3djo s GLU 103 Ca 0.36 -1.02 -0.08 0.00 0.02 0.00 0.00 54.97 54.25 3djo s GLU 103 Cb 0.07 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 3djo s GLU 103 CO 0.10 -0.34 0.18 0.15 0.02 0.00 0.00 175.26 175.37 3djo s LYS 104 N 1.22 0.90 0.40 1.61 1.02 -0.89 -4.84 119.74 119.17 3djo s LYS 104 Ca -0.00 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 54.67 3djo s LYS 104 Cb -0.16 0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 37.40 3djo s LYS 104 CO -0.10 -0.29 1.19 -1.01 -0.92 0.00 0.00 175.35 174.22 3djo s HIS 105 N -3.90 3.02 0.09 3.18 3.76 -0.02 -0.36 115.29 121.05 3djo s HIS 105 Ca 0.09 1.53 0.03 0.00 -0.15 0.00 0.00 55.06 56.57 3djo s HIS 105 Cb 0.05 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 3djo s HIS 105 CO -0.08 -1.46 0.07 0.96 -0.85 0.00 0.00 174.74 173.38 3djo s ILE 106 N -1.38 4.43 -0.15 0.60 -4.36 -1.26 -0.92 121.20 118.15 3djo s ILE 106 Ca 0.57 -0.82 0.02 0.00 -0.26 0.00 0.00 60.65 60.15 3djo s ILE 106 Cb -0.32 -3.13 0.01 0.00 1.25 0.00 0.00 42.46 40.27 3djo s ILE 106 CO 0.40 0.11 -0.20 -0.63 0.24 0.00 0.00 174.94 174.87 3djo s ILE 107 N -1.39 1.93 0.09 8.37 1.01 0.50 -0.68 121.20 131.04 3djo s ILE 107 Ca 0.29 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3djo s ILE 107 Cb -0.12 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3djo s ILE 107 CO 0.21 0.52 -0.18 0.68 0.00 0.00 0.00 174.94 176.17 3djo s VAL 108 N 1.03 1.48 0.11 2.92 -7.23 -0.45 -0.51 120.40 117.75 3djo s VAL 108 Ca -0.03 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 3djo s VAL 108 Cb -0.14 -1.38 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 3djo s VAL 108 CO -0.06 -0.13 0.69 0.00 -0.31 0.00 0.00 175.10 175.29 3djo s ALA 109 N -1.23 3.49 -0.08 1.32 0.00 -0.25 -0.67 121.76 124.34 3djo s ALA 109 Ca 0.03 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.24 3djo s ALA 109 Cb -0.10 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 3djo s ALA 109 CO 0.03 0.30 -0.19 0.00 0.00 0.00 0.00 175.76 175.91 3djo s GLY 111 N -0.06 0.49 0.00 0.00 0.00 -0.15 -4.84 107.32 102.77 3djo s GLY 111 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3djo s GLY 111 CO 0.04 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 173.08 3djo n GLY 112 N -0.33 -2.48 2.73 0.20 0.00 -1.26 -1.80 105.19 102.25 3djo n GLY 112 Ca -0.04 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 3djo n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djo s LYS 113 N -0.76 0.55 0.76 1.61 1.02 -1.26 -2.92 119.74 118.74 3djo s LYS 113 Ca 0.00 -0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 3djo s LYS 113 Cb 0.00 -1.57 0.05 0.00 -0.52 0.00 0.00 37.83 35.79 3djo s LYS 113 CO 0.00 -0.50 1.17 -2.30 -0.92 0.00 0.00 175.35 172.80 3djo n PRO 114 N 5.12 0.42 -2.40 -1.68 -0.02 -1.26 -5.07 135.00 130.12 3djo n PRO 114 Ca -0.08 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 3djo n PRO 114 Cb 0.49 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3djo n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3djo s SER 115 N -1.88 6.60 0.19 2.55 0.15 -1.15 -4.87 113.70 115.30 3djo s SER 115 Ca 0.75 1.13 0.04 0.00 0.70 0.00 0.00 55.95 58.56 3djo s SER 115 Cb -0.32 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.40 3djo s SER 115 CO 0.49 -1.16 -0.04 0.68 1.20 0.00 0.00 173.24 174.41 3djo s VAL 116 N 4.61 1.02 0.22 4.45 -7.23 -0.75 -4.83 120.40 117.90 3djo s VAL 116 Ca 0.57 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 3djo s VAL 116 Cb -0.16 -2.14 -0.11 0.00 0.56 0.00 0.00 36.38 34.52 3djo s VAL 116 CO 0.25 -0.49 1.66 -2.84 -0.31 0.00 0.00 175.10 173.37 3djo s PRO 117 N -3.83 4.15 0.00 4.82 0.02 -1.26 -0.97 135.00 137.92 3djo s PRO 117 Ca 0.24 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3djo s PRO 117 Cb 0.05 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3djo s PRO 117 CO 0.05 -0.69 0.00 1.33 -0.33 0.00 0.00 177.00 177.36 3djo n VAL 118 N 3.55 0.00 -3.76 3.83 0.24 0.71 -4.86 118.33 118.04 3djo n VAL 118 Ca 0.14 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3djo n VAL 118 Cb 0.36 0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 33.33 3djo n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djo s HIS 119 N -1.41 -0.35 -0.29 6.34 5.65 -1.19 -4.99 115.29 119.06 3djo s HIS 119 Ca 0.00 0.84 -0.15 0.00 0.25 0.00 0.00 55.06 56.00 3djo s HIS 119 Cb 0.00 0.12 -0.03 0.00 -1.18 0.00 0.00 32.58 31.49 3djo s HIS 119 CO 0.00 -0.18 0.39 0.12 -0.65 0.00 0.00 174.74 174.42 3djo s PHE 120 N 0.35 3.23 -0.22 3.88 2.19 -1.26 -1.09 117.98 125.06 3djo s PHE 120 Ca -0.02 0.33 -0.15 0.00 0.33 0.00 0.00 56.93 57.43 3djo s PHE 120 Cb -0.03 -2.62 -0.18 0.00 -1.31 0.00 0.00 43.02 38.87 3djo s PHE 120 CO -0.01 -0.29 0.05 -3.47 1.83 0.00 0.00 175.22 173.33 3djo n ASP 121 N 5.38 1.95 -3.65 6.13 2.03 0.34 -4.96 116.55 123.77 3djo n ASP 121 Ca -0.08 0.31 -0.04 0.00 0.52 0.00 0.00 54.79 55.49 3djo n ASP 121 Cb 0.50 -0.86 -0.01 0.00 -0.72 0.00 0.00 41.12 40.03 3djo n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djo s ALA 122 N -2.45 -1.80 0.09 -1.67 0.00 -1.01 -4.90 121.76 110.02 3djo s ALA 122 Ca -0.31 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.29 3djo s ALA 122 Cb 0.09 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3djo s ALA 122 CO 0.60 -0.90 -0.19 -1.54 0.00 0.00 0.00 175.76 173.73 3djo s SER 123 N -2.75 2.25 0.00 0.00 1.04 -1.26 -0.37 113.70 112.60 3djo s SER 123 Ca 0.10 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3djo s SER 123 Cb -0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 3djo s SER 123 CO -0.03 0.02 0.00 0.55 0.98 0.00 0.00 173.24 174.77