#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djq n GLU 2 N 0.00 2.48 -1.65 1.64 2.13 -1.26 -4.96 120.64 119.03 3djq n GLU 2 Ca 0.00 0.90 -0.33 0.00 0.66 0.00 0.00 57.16 58.39 3djq n GLU 2 Cb 0.00 -2.76 0.06 0.00 0.27 0.00 0.00 31.44 29.01 3djq n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djq s SER 3 N 2.74 4.79 0.29 4.31 1.04 -1.26 -4.82 113.70 120.79 3djq s SER 3 Ca 0.84 2.12 -0.02 0.00 0.48 0.00 0.00 55.95 59.38 3djq s SER 3 Cb -0.58 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.42 3djq s SER 3 CO 0.41 -1.85 1.94 0.00 0.98 0.00 0.00 173.24 174.73 3djq h ALA 4 N -0.08 1.43 -0.29 5.32 0.00 -1.99 0.39 119.26 124.05 3djq h ALA 4 Ca -0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3djq h ALA 4 Cb 1.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3djq h ALA 4 CO 0.52 0.49 0.11 0.00 0.00 0.00 0.00 179.25 180.37 3djq h ALA 5 N 1.47 0.37 -0.45 0.00 0.00 -2.00 -1.21 119.26 117.45 3djq h ALA 5 Ca 0.35 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3djq h ALA 5 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3djq h ALA 5 CO -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 3djq h ALA 6 N 0.95 1.07 -0.68 0.00 0.00 -1.84 -1.98 119.26 116.78 3djq h ALA 6 Ca 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3djq h ALA 6 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3djq h ALA 6 CO -0.01 0.58 0.19 -0.22 0.00 0.00 0.00 179.25 179.79 3djq h LYS 7 N 0.71 1.07 -0.67 0.00 3.64 -0.67 -0.64 116.57 120.00 3djq h LYS 7 Ca 0.13 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3djq h LYS 7 Cb 0.50 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3djq h LYS 7 CO 0.03 0.93 0.27 0.35 -2.27 0.00 0.00 179.45 178.76 3djq h PHE 8 N 1.00 1.02 -0.78 1.91 3.04 -0.94 -0.08 116.94 122.11 3djq h PHE 8 Ca 0.22 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 3djq h PHE 8 Cb 0.32 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 3djq h PHE 8 CO 0.02 0.79 0.36 0.93 -2.02 0.00 0.00 178.31 178.40 3djq h GLU 9 N 0.95 1.13 -0.18 1.11 5.08 -0.87 0.18 114.58 121.96 3djq h GLU 9 Ca 0.22 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3djq h GLU 9 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3djq h GLU 9 CO -0.02 0.88 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.75 3djq h ARG 10 N 1.10 0.35 0.01 2.33 2.43 -0.95 -2.39 114.38 117.26 3djq h ARG 10 Ca 0.26 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 3djq h ARG 10 Cb 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3djq h ARG 10 CO -0.03 0.60 -0.96 1.96 -1.51 0.00 0.00 179.97 180.03 3djq h GLN 11 N 0.07 0.04 0.00 0.20 4.20 -0.85 -3.41 115.11 115.37 3djq h GLN 11 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3djq h GLN 11 Cb 0.46 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3djq h GLN 11 CO 0.02 0.96 0.00 0.72 -0.67 0.00 0.00 178.83 179.86 3djq n HIS 12 N -3.46 0.00 -4.18 2.96 8.25 0.60 -5.03 115.22 114.37 3djq n HIS 12 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 3djq n HIS 12 Cb 0.89 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.87 3djq n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djq s MET 13 N -0.34 3.58 -0.40 -0.41 -1.94 -0.90 -4.99 119.30 113.89 3djq s MET 13 Ca 0.00 -0.55 0.07 0.00 -1.71 0.00 0.00 55.69 53.51 3djq s MET 13 Cb 0.00 -3.00 0.24 0.00 2.01 0.00 0.00 34.83 34.08 3djq s MET 13 CO 0.00 0.05 0.53 -3.47 -0.01 0.00 0.00 175.02 172.12 3djq n ASP 14 N 4.10 -0.27 -4.73 3.03 2.03 -1.26 -4.82 116.55 114.64 3djq n ASP 14 Ca -0.17 -2.71 -0.42 0.00 0.52 0.00 0.00 54.79 52.01 3djq n ASP 14 Cb 0.52 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 3djq n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3djq s SER 15 N -1.02 6.65 0.00 1.67 0.01 -1.26 -4.92 113.70 114.83 3djq s SER 15 Ca 0.34 2.58 0.00 0.00 1.31 0.00 0.00 55.95 60.18 3djq s SER 15 Cb 0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3djq s SER 15 CO -0.13 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.37 3djq n GLY 16 N 3.20 2.70 0.12 3.44 0.00 -1.26 -5.04 105.19 108.35 3djq n GLY 16 Ca 0.11 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 3djq n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djq h ASN 17 N 0.00 0.46 -2.04 1.61 2.35 -2.08 -3.41 115.58 112.46 3djq h ASN 17 Ca 0.00 -0.61 -0.56 0.00 -0.55 0.00 0.00 56.30 54.57 3djq h ASN 17 Cb 0.00 -0.15 -0.40 0.00 0.05 0.00 0.00 38.32 37.82 3djq h ASN 17 CO 0.00 1.51 -1.00 -1.20 -1.65 0.00 0.00 177.43 175.09 3djq n SER 18 N -3.50 0.98 -0.17 5.81 7.64 -1.26 -4.99 113.62 118.14 3djq n SER 18 Ca -0.17 -2.87 0.08 0.00 1.01 0.00 0.00 58.87 56.92 3djq n SER 18 Cb 1.05 -0.64 0.39 0.00 -1.01 0.00 0.00 64.21 64.00 3djq n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3djq h PRO 19 N 3.98 0.65 -0.31 1.43 0.13 -1.92 -2.10 132.00 133.85 3djq h PRO 19 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3djq h PRO 19 Cb 0.83 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3djq h PRO 19 CO 0.54 0.43 0.00 -1.13 -0.23 0.00 0.00 178.00 177.61 3djq n SER 20 N -4.49 3.01 -4.63 1.44 3.41 -1.26 -4.81 113.62 106.30 3djq n SER 20 Ca 0.11 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.41 3djq n SER 20 Cb 0.29 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3djq n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3djq n SER 21 N 1.21 1.01 0.21 4.04 2.88 -0.79 -4.88 113.62 117.31 3djq n SER 21 Ca 0.18 0.84 0.13 0.00 -1.33 0.00 0.00 58.87 58.69 3djq n SER 21 Cb 0.54 -1.41 0.72 0.00 -0.75 0.00 0.00 64.21 63.31 3djq n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3djq h SER 22 N 0.66 0.00 0.20 -3.46 4.64 -1.93 -0.74 113.55 112.91 3djq h SER 22 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3djq h SER 22 Cb 1.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3djq h SER 22 CO 0.52 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 177.24 3djq h SER 23 N 0.00 0.00 -0.13 4.97 4.64 -1.92 -2.18 113.55 118.93 3djq h SER 23 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3djq h SER 23 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3djq h SER 23 CO -0.00 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 3djq n ASN 24 N -3.19 2.43 -0.03 4.97 5.03 -0.28 -4.42 115.26 119.77 3djq n ASN 24 Ca -0.02 -1.81 -0.08 0.00 0.87 0.00 0.00 54.58 53.54 3djq n ASN 24 Cb 0.12 -0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 3djq n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3djq h TYR 25 N 3.53 -0.27 -0.75 3.10 3.20 -1.47 -1.76 116.97 122.55 3djq h TYR 25 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3djq h TYR 25 Cb 0.76 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3djq h TYR 25 CO 0.07 -0.17 0.27 0.00 -1.64 0.00 0.00 178.16 176.69 3djq h ASN 27 N 1.10 0.11 -0.17 0.00 2.35 -1.71 0.13 115.58 117.38 3djq h ASN 27 Ca 0.25 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 3djq h ASN 27 Cb 0.26 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3djq h ASN 27 CO -0.01 0.08 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.60 3djq h LEU 28 N 0.31 0.46 -0.17 1.61 3.38 -0.91 -3.04 115.31 116.94 3djq h LEU 28 Ca 0.25 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 3djq h LEU 28 Cb 0.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3djq h LEU 28 CO -0.29 0.85 -0.27 0.24 0.09 0.00 0.00 178.44 179.06 3djq h MET 29 N 0.08 0.48 -0.48 1.13 2.86 -0.42 -0.58 114.93 118.01 3djq h MET 29 Ca 0.03 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3djq h MET 29 Cb 0.72 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3djq h MET 29 CO 0.04 0.89 0.27 0.52 1.06 0.00 0.00 176.91 179.69 3djq h MET 30 N 0.11 0.64 0.27 1.72 2.86 -0.86 0.18 114.93 119.85 3djq h MET 30 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3djq h MET 30 Cb 0.85 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3djq h MET 30 CO 0.06 0.47 -0.13 0.00 1.06 0.00 0.00 176.91 178.37 3djq n ARG 33 N -4.60 1.78 -3.37 0.00 5.12 0.59 -4.90 116.66 111.28 3djq n ARG 33 Ca 0.09 -0.77 -0.19 0.00 -1.93 0.00 0.00 57.85 55.04 3djq n ARG 33 Cb 0.07 -1.47 0.06 0.00 -1.16 0.00 0.00 32.46 29.97 3djq n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djq n LYS 34 N 0.12 -6.32 -0.38 5.56 5.02 -0.72 -4.91 118.16 116.53 3djq n LYS 34 Ca 0.07 0.66 0.08 0.00 -2.02 0.00 0.00 58.31 57.10 3djq n LYS 34 Cb 0.36 -5.18 0.23 0.00 -0.02 0.00 0.00 35.03 30.42 3djq n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djq n MET 35 N -4.07 2.88 -0.12 1.97 2.81 -0.01 -4.40 117.12 116.17 3djq n MET 35 Ca 0.01 -2.67 0.03 0.00 -1.81 0.00 0.00 57.70 53.26 3djq n MET 35 Cb 0.55 -1.72 0.05 0.00 -0.71 0.00 0.00 33.22 31.39 3djq n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djq n THR 36 N -0.33 0.92 -3.20 2.03 -2.24 -1.20 -1.94 114.28 108.31 3djq n THR 36 Ca 0.19 -1.05 -0.40 0.00 -2.27 0.00 0.00 64.05 60.53 3djq n THR 36 Cb 0.79 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 3djq n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djq s GLN 37 N -1.25 4.16 0.00 -0.78 -0.21 -1.26 -4.30 119.66 116.02 3djq s GLN 37 Ca 0.11 0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.93 3djq s GLN 37 Cb 0.09 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.51 3djq s GLN 37 CO 0.01 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 3djq n GLY 38 N 4.02 2.25 3.49 3.09 0.00 -1.26 -4.89 105.19 111.89 3djq n GLY 38 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3djq n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djq s LYS 39 N 0.00 1.35 -0.30 1.61 0.00 -1.26 -5.05 119.74 116.10 3djq s LYS 39 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 55.97 55.10 3djq s LYS 39 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 37.83 38.41 3djq s LYS 39 CO 0.00 -0.59 0.86 0.00 0.00 0.00 0.00 175.35 175.62 3djq n LYS 41 N 6.30 2.82 0.03 0.00 4.81 -0.82 -4.89 118.16 126.42 3djq n LYS 41 Ca 0.06 1.03 -0.06 0.00 -0.87 0.00 0.00 58.31 58.46 3djq n LYS 41 Cb 0.48 -2.95 0.12 0.00 0.02 0.00 0.00 35.03 32.70 3djq n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3djq h PRO 42 N 9.24 0.45 -3.49 1.64 0.13 -1.93 -3.44 132.00 134.59 3djq h PRO 42 Ca -0.48 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.12 3djq h PRO 42 Cb 1.23 0.02 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 3djq h PRO 42 CO 0.95 0.83 -0.70 0.08 -0.23 0.00 0.00 178.00 178.92 3djq s VAL 43 N -4.08 -0.05 -0.19 1.56 1.01 -1.26 -1.58 120.40 115.81 3djq s VAL 43 Ca -0.06 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3djq s VAL 43 Cb 0.12 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.45 3djq s VAL 43 CO 0.81 0.08 0.49 0.21 0.00 0.00 0.00 175.10 176.69 3djq s ASN 44 N 0.96 -0.53 -0.10 3.32 2.47 -0.44 -5.01 114.94 115.61 3djq s ASN 44 Ca -0.08 1.00 0.00 0.00 0.42 0.00 0.00 52.86 54.21 3djq s ASN 44 Cb -0.11 1.00 -0.02 0.00 -1.45 0.00 0.00 41.25 40.67 3djq s ASN 44 CO -0.03 -0.17 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.18 3djq s THR 45 N 0.37 3.34 -0.05 -5.21 2.01 -1.26 -0.10 115.64 114.74 3djq s THR 45 Ca -0.01 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 3djq s THR 45 Cb -0.04 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3djq s THR 45 CO -0.01 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 3djq s PHE 46 N -0.15 3.09 -0.16 4.92 0.08 0.28 -4.97 117.98 121.07 3djq s PHE 46 Ca 0.00 0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.15 3djq s PHE 46 Cb -0.13 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 3djq s PHE 46 CO 0.03 0.44 -0.07 0.08 -0.10 0.00 0.00 175.22 175.60 3djq s VAL 47 N -0.94 3.54 -1.95 -0.44 1.01 -1.26 -0.60 120.40 119.77 3djq s VAL 47 Ca 0.15 -0.48 0.20 0.00 0.00 0.00 0.00 61.98 61.85 3djq s VAL 47 Cb -0.11 -2.54 0.57 0.00 0.00 0.00 0.00 36.38 34.30 3djq s VAL 47 CO 0.05 0.49 1.48 1.41 0.00 0.00 0.00 175.10 178.52 3djq n HIS 48 N 3.73 0.89 -2.69 5.22 -0.00 0.27 -4.93 115.22 117.71 3djq n HIS 48 Ca -0.18 -0.44 -0.23 0.00 -0.00 0.00 0.00 57.72 56.88 3djq n HIS 48 Cb 0.52 -0.02 0.03 0.00 -0.00 0.00 0.00 29.99 30.53 3djq n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djq s GLU 49 N -1.19 2.75 0.61 -0.41 0.41 -1.26 -4.96 118.70 114.65 3djq s GLU 49 Ca 0.43 -0.53 -0.18 0.00 -0.41 0.00 0.00 54.97 54.28 3djq s GLU 49 Cb 0.23 -2.46 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 3djq s GLU 49 CO 0.29 -0.60 1.19 -1.54 -0.49 0.00 0.00 175.26 174.11 3djq s SER 50 N -4.34 5.14 0.31 -0.19 1.04 -1.26 -4.86 113.70 109.54 3djq s SER 50 Ca 0.54 2.33 0.03 0.00 0.48 0.00 0.00 55.95 59.32 3djq s SER 50 Cb -0.10 -2.59 0.61 0.00 0.10 0.00 0.00 66.02 64.03 3djq s SER 50 CO 0.40 -1.62 1.89 0.25 0.98 0.00 0.00 173.24 175.14 3djq h LEU 51 N 0.73 0.85 -0.75 2.42 5.85 -1.97 -1.57 115.31 120.87 3djq h LEU 51 Ca -0.50 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.29 3djq h LEU 51 Cb 1.29 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3djq h LEU 51 CO 0.55 0.50 0.46 0.00 -0.34 0.00 0.00 178.44 179.61 3djq h ALA 52 N 1.54 1.01 -0.49 1.25 0.00 -1.98 0.11 119.26 120.69 3djq h ALA 52 Ca 0.42 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 3djq h ALA 52 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3djq h ALA 52 CO -0.18 0.20 -0.11 -0.44 0.00 0.00 0.00 179.25 178.72 3djq h ASP 53 N 0.86 0.91 -0.25 0.00 5.19 -1.67 -0.09 116.42 121.36 3djq h ASP 53 Ca 0.32 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 3djq h ASP 53 Cb 0.12 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.38 3djq h ASP 53 CO -0.15 1.03 -0.45 0.58 -3.12 0.00 0.00 179.24 177.13 3djq h VAL 54 N 0.82 1.30 -0.72 -1.35 2.07 -1.09 -3.03 116.25 114.25 3djq h VAL 54 Ca 0.13 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3djq h VAL 54 Cb 0.64 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3djq h VAL 54 CO 0.04 0.53 0.46 0.11 0.02 0.00 0.00 177.57 178.73 3djq h LYS 55 N 0.49 0.96 -0.23 1.57 1.57 -0.65 -2.34 116.57 117.95 3djq h LYS 55 Ca 0.02 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3djq h LYS 55 Cb 1.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3djq h LYS 55 CO 0.10 0.65 0.23 0.00 -0.57 0.00 0.00 179.45 179.86 3djq h ALA 56 N 1.53 1.90 -0.05 3.86 0.00 -0.89 -1.93 119.26 123.68 3djq h ALA 56 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3djq h ALA 56 Cb -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3djq h ALA 56 CO -0.05 -0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.13 3djq h VAL 57 N 0.00 1.03 0.00 0.00 2.07 -1.42 -1.33 116.25 116.60 3djq h VAL 57 Ca 0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3djq h VAL 57 Cb 0.57 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3djq h VAL 57 CO -0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3djq n SER 59 N -1.44 2.86 0.00 0.00 3.41 -0.50 -5.03 113.62 112.92 3djq n SER 59 Ca 0.02 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 3djq n SER 59 Cb 0.08 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3djq n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djq n GLN 60 N -0.82 2.31 -2.37 4.33 6.02 -0.06 -5.02 117.38 121.76 3djq n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3djq n GLN 60 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.89 3djq n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djq s LYS 61 N 4.77 3.55 0.20 -1.09 2.20 -1.06 -4.85 119.74 123.45 3djq s LYS 61 Ca 0.00 0.85 -0.32 0.00 -0.36 0.00 0.00 55.97 56.14 3djq s LYS 61 Cb 0.00 -4.03 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 3djq s LYS 61 CO 0.00 -1.60 1.69 0.15 -0.36 0.00 0.00 175.35 175.23 3djq s LYS 62 N 4.97 4.14 0.04 4.03 -0.14 -1.26 0.16 119.74 131.68 3djq s LYS 62 Ca 0.59 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 57.76 3djq s LYS 62 Cb -0.13 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 3djq s LYS 62 CO 0.32 -0.73 -0.04 0.14 -0.76 0.00 0.00 175.35 174.28 3djq s VAL 63 N 1.20 0.26 0.28 3.17 -7.23 -0.75 -4.84 120.40 112.49 3djq s VAL 63 Ca 0.74 -1.26 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 3djq s VAL 63 Cb -0.48 -0.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 3djq s VAL 63 CO 0.32 -0.64 1.15 -0.89 -0.31 0.00 0.00 175.10 174.73 3djq s THR 64 N -2.27 3.34 0.68 5.32 2.01 -1.26 -3.40 115.64 120.06 3djq s THR 64 Ca -0.07 1.33 -0.15 0.00 0.31 0.00 0.00 61.69 63.11 3djq s THR 64 Cb -0.04 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.64 3djq s THR 64 CO -0.03 0.31 1.13 0.00 -0.69 0.00 0.00 174.62 175.33 3djq h LYS 66 N -0.14 0.49 -0.32 0.00 1.57 -1.90 -1.53 116.57 114.73 3djq h LYS 66 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3djq h LYS 66 Cb 1.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3djq h LYS 66 CO 0.53 0.32 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 3djq n ASN 67 N -4.58 1.77 0.00 0.86 6.94 -1.26 -4.91 115.26 114.08 3djq n ASN 67 Ca 0.21 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 3djq n ASN 67 Cb 0.68 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 3djq n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djq n GLY 68 N 1.04 1.60 3.75 4.83 0.00 -0.58 -5.04 105.19 110.79 3djq n GLY 68 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3djq n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djq s GLN 69 N -0.36 2.28 -0.10 1.61 -0.21 -1.26 -4.80 119.66 116.81 3djq s GLN 69 Ca 0.00 1.35 0.14 0.00 0.02 0.00 0.00 55.36 56.87 3djq s GLN 69 Cb 0.00 -1.89 0.33 0.00 1.00 0.00 0.00 33.01 32.45 3djq s GLN 69 CO 0.00 -1.65 1.23 0.25 -2.12 0.00 0.00 175.29 173.01 3djq n THR 70 N -3.15 1.73 -1.58 -0.19 -2.24 -1.26 -1.39 114.28 106.21 3djq n THR 70 Ca 0.10 -1.72 -0.18 0.00 -2.27 0.00 0.00 64.05 59.98 3djq n THR 70 Cb 0.52 -0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.87 3djq n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djq n ASN 71 N -0.65 4.43 -4.90 3.42 6.94 -1.26 -4.94 115.26 118.29 3djq n ASN 71 Ca 0.14 -3.77 -0.25 0.00 -0.02 0.00 0.00 54.58 50.68 3djq n ASN 71 Cb 0.63 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.37 3djq n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djq s TYR 73 N -1.81 -0.27 -0.12 0.00 1.51 -0.00 -1.82 117.35 114.84 3djq s TYR 73 Ca 0.33 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 57.02 3djq s TYR 73 Cb -0.10 0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 3djq s TYR 73 CO 0.27 -0.14 0.03 -1.14 -1.11 0.00 0.00 175.55 173.46 3djq s GLN 74 N 0.22 3.37 0.28 -0.62 0.74 0.42 -1.41 119.66 122.66 3djq s GLN 74 Ca -0.01 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.73 3djq s GLN 74 Cb -0.02 -2.95 -0.11 0.00 1.10 0.00 0.00 33.01 31.03 3djq s GLN 74 CO -0.00 0.55 1.48 -1.54 -0.55 0.00 0.00 175.29 175.22 3djq s SER 75 N -0.44 6.55 0.36 6.67 1.04 -0.01 -2.56 113.70 125.31 3djq s SER 75 Ca 0.09 2.79 0.10 0.00 0.48 0.00 0.00 55.95 59.41 3djq s SER 75 Cb -0.12 -2.63 0.67 0.00 0.10 0.00 0.00 66.02 64.03 3djq s SER 75 CO 0.02 -0.77 1.82 0.11 0.98 0.00 0.00 173.24 175.40 3djq h LYS 76 N 4.62 0.12 -6.16 4.02 1.57 -1.94 -3.43 116.57 115.36 3djq h LYS 76 Ca -0.47 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 57.68 3djq h LYS 76 Cb 1.22 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.41 3djq h LYS 76 CO 0.76 0.44 -0.68 -1.12 -0.57 0.00 0.00 179.45 178.28 3djq s SER 77 N -6.91 4.14 0.68 0.86 0.01 -1.26 -5.08 113.70 106.14 3djq s SER 77 Ca -0.04 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 3djq s SER 77 Cb 0.14 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.80 3djq s SER 77 CO 0.74 -0.04 1.13 0.42 0.41 0.00 0.00 173.24 175.90 3djq s THR 78 N -2.43 3.06 0.09 1.44 -4.23 -1.26 -4.50 115.64 107.80 3djq s THR 78 Ca 0.32 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 3djq s THR 78 Cb -0.04 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 3djq s THR 78 CO 0.18 -0.31 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.76 3djq s MET 79 N -4.11 0.89 -0.30 3.99 -1.94 0.60 -4.88 119.30 113.56 3djq s MET 79 Ca 0.68 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.32 3djq s MET 79 Cb -0.22 -0.88 0.01 0.00 2.01 0.00 0.00 34.83 35.75 3djq s MET 79 CO 0.43 0.19 1.18 1.03 -0.01 0.00 0.00 175.02 177.84 3djq s ARG 80 N -2.02 4.02 0.14 2.03 0.52 -1.26 -1.98 118.95 120.40 3djq s ARG 80 Ca 0.02 1.19 0.04 0.00 -0.52 0.00 0.00 55.73 56.46 3djq s ARG 80 Cb -0.08 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 3djq s ARG 80 CO 0.02 -0.97 -0.10 0.96 0.02 0.00 0.00 175.30 175.23 3djq s ILE 81 N 3.93 1.15 -0.11 1.52 -4.36 -0.44 -0.56 121.20 122.32 3djq s ILE 81 Ca 0.51 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3djq s ILE 81 Cb -0.15 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.76 3djq s ILE 81 CO 0.18 -0.74 -0.17 -0.89 0.24 0.00 0.00 174.94 173.57 3djq s THR 82 N -3.27 1.63 -0.06 8.37 2.01 0.23 -1.76 115.64 122.78 3djq s THR 82 Ca 0.16 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 3djq s THR 82 Cb 0.02 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 3djq s THR 82 CO 0.00 0.47 0.43 -1.81 -0.69 0.00 0.00 174.62 173.02 3djq s ASP 83 N 0.87 6.73 -0.22 3.53 1.01 0.38 -0.56 116.67 128.41 3djq s ASP 83 Ca -0.08 0.87 -0.02 0.00 0.71 0.00 0.00 52.55 54.03 3djq s ASP 83 Cb -0.15 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3djq s ASP 83 CO -0.00 0.16 -0.09 0.00 0.21 0.00 0.00 175.17 175.45 3djq s ARG 85 N 1.36 1.80 0.26 0.00 0.52 -0.83 -1.32 118.95 120.74 3djq s ARG 85 Ca 0.03 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 3djq s ARG 85 Cb -0.15 -1.49 -0.13 0.00 0.52 0.00 0.00 34.95 33.70 3djq s ARG 85 CO -0.06 0.10 1.36 0.39 0.02 0.00 0.00 175.30 177.11 3djq n GLU 86 N 3.57 2.01 -1.63 3.54 1.02 -0.62 0.10 120.64 128.63 3djq n GLU 86 Ca -0.21 0.71 -0.29 0.00 -0.02 0.00 0.00 57.16 57.35 3djq n GLU 86 Cb 0.52 -2.34 0.15 0.00 -0.02 0.00 0.00 31.44 29.76 3djq n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3djq s THR 87 N -0.32 1.95 0.24 2.62 -4.23 -0.23 -4.76 115.64 110.90 3djq s THR 87 Ca 0.65 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 3djq s THR 87 Cb -0.64 -2.81 0.07 0.00 1.34 0.00 0.00 72.50 70.46 3djq s THR 87 CO 0.53 0.00 1.69 1.23 -0.54 0.00 0.00 174.62 177.53 3djq h GLY 88 N -1.60 0.83 2.00 3.99 0.00 -1.94 -3.06 103.07 103.29 3djq h GLY 88 Ca -0.48 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.22 3djq h GLY 88 CO 0.54 0.58 0.00 1.76 0.00 0.00 0.00 176.54 179.42 3djq h SER 89 N 0.69 0.00 -2.71 0.19 0.02 -1.93 -3.45 113.55 106.36 3djq h SER 89 Ca 0.12 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.53 3djq h SER 89 Cb 0.60 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.17 3djq h SER 89 CO 0.04 0.00 0.98 -0.55 -1.14 0.00 0.00 176.83 176.15 3djq s SER 90 N -5.36 6.60 -0.19 3.07 0.15 -1.16 -4.94 113.70 111.86 3djq s SER 90 Ca 0.02 2.52 -0.09 0.00 0.70 0.00 0.00 55.95 59.10 3djq s SER 90 Cb 0.09 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 3djq s SER 90 CO 0.52 -0.88 0.45 -0.75 1.20 0.00 0.00 173.24 173.78 3djq s LYS 91 N 2.33 0.40 0.29 5.44 2.20 -1.06 -4.90 119.74 124.45 3djq s LYS 91 Ca 0.73 0.94 -0.28 0.00 -0.36 0.00 0.00 55.97 57.01 3djq s LYS 91 Cb -0.41 0.15 -0.14 0.00 -1.51 0.00 0.00 37.83 35.93 3djq s LYS 91 CO 0.32 -0.19 1.02 0.98 -0.36 0.00 0.00 175.35 177.12 3djq n TYR 92 N 4.72 1.31 0.90 4.03 9.36 -1.26 -0.73 117.16 135.48 3djq n TYR 92 Ca -0.17 0.70 0.03 0.00 3.32 0.00 0.00 57.90 61.78 3djq n TYR 92 Cb 0.53 -2.26 0.12 0.00 -0.63 0.00 0.00 39.34 37.11 3djq n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djq n PRO 93 N 0.71 1.85 -3.02 2.98 -0.04 -1.26 -4.96 135.00 131.26 3djq n PRO 93 Ca 0.09 -0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 62.15 3djq n PRO 93 Cb 0.32 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3djq n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djq n ASN 94 N 0.23 6.22 -4.72 3.54 5.03 0.09 -5.02 115.26 120.63 3djq n ASN 94 Ca 0.09 -3.34 -0.42 0.00 0.87 0.00 0.00 54.58 51.78 3djq n ASN 94 Cb 0.34 -1.30 -0.03 0.00 -1.02 0.00 0.00 39.78 37.77 3djq n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djq s ALA 96 N 0.94 1.00 0.03 0.00 0.00 -1.26 -4.95 121.76 117.52 3djq s ALA 96 Ca 0.60 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.29 3djq s ALA 96 Cb -0.32 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3djq s ALA 96 CO 0.30 0.12 -0.16 0.71 0.00 0.00 0.00 175.76 176.73 3djq s TYR 97 N 0.46 1.42 -0.14 0.00 2.02 -1.26 -1.07 117.35 118.79 3djq s TYR 97 Ca -0.08 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.09 3djq s TYR 97 Cb -0.12 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 3djq s TYR 97 CO 0.02 0.04 0.50 0.21 -1.57 0.00 0.00 175.55 174.74 3djq s LYS 98 N -0.99 4.30 -0.24 -0.62 2.36 0.11 -4.66 119.74 120.02 3djq s LYS 98 Ca 0.04 0.46 -0.11 0.00 -2.55 0.00 0.00 55.97 53.80 3djq s LYS 98 Cb -0.08 -3.47 -0.05 0.00 -1.05 0.00 0.00 37.83 33.19 3djq s LYS 98 CO 0.01 0.07 0.20 0.99 1.55 0.00 0.00 175.35 178.17 3djq s THR 99 N 0.90 5.33 -0.04 3.43 2.01 -1.26 -1.96 115.64 124.05 3djq s THR 99 Ca 0.26 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.53 3djq s THR 99 Cb -0.15 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3djq s THR 99 CO 0.10 0.33 -0.05 0.42 -0.69 0.00 0.00 174.62 174.72 3djq s THR 100 N 1.14 0.59 -0.18 -0.82 -4.23 -0.68 -4.95 115.64 106.51 3djq s THR 100 Ca 0.09 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 3djq s THR 100 Cb -0.14 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 3djq s THR 100 CO 0.05 0.23 0.03 -1.10 -0.54 0.00 0.00 174.62 173.29 3djq s GLN 101 N 0.77 3.88 0.16 3.99 -0.21 -1.26 -0.47 119.66 126.51 3djq s GLN 101 Ca -0.11 -0.40 -0.04 0.00 0.02 0.00 0.00 55.36 54.83 3djq s GLN 101 Cb -0.14 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 3djq s GLN 101 CO 0.01 0.26 0.16 0.14 -2.12 0.00 0.00 175.29 173.73 3djq s VAL 102 N 0.39 0.06 -0.25 1.09 -7.23 -0.72 -5.02 120.40 108.72 3djq s VAL 102 Ca 0.01 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 3djq s VAL 102 Cb -0.13 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.74 3djq s VAL 102 CO 0.01 -0.28 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.80 3djq s GLU 103 N -4.05 2.43 0.06 4.82 2.02 -1.26 -1.33 118.70 121.39 3djq s GLU 103 Ca 0.26 -1.22 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 3djq s GLU 103 Cb 0.06 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 3djq s GLU 103 CO 0.04 -0.50 0.06 0.15 0.02 0.00 0.00 175.26 175.03 3djq s LYS 104 N 1.16 0.69 0.41 1.61 1.02 -0.84 -4.82 119.74 118.99 3djq s LYS 104 Ca -0.06 -1.09 -0.25 0.00 0.02 0.00 0.00 55.97 54.59 3djq s LYS 104 Cb -0.19 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.30 3djq s LYS 104 CO -0.06 -0.17 1.23 -1.01 -0.92 0.00 0.00 175.35 174.42 3djq s HIS 105 N -3.80 2.92 0.10 3.18 3.76 -0.35 -0.29 115.29 120.81 3djq s HIS 105 Ca 0.05 1.49 0.05 0.00 -0.15 0.00 0.00 55.06 56.50 3djq s HIS 105 Cb 0.06 -3.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.19 3djq s HIS 105 CO -0.10 -1.71 -0.00 0.96 -0.85 0.00 0.00 174.74 173.04 3djq s ILE 106 N -1.35 3.98 -0.16 0.60 -4.36 -1.26 -0.77 121.20 117.87 3djq s ILE 106 Ca 0.58 -1.05 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 3djq s ILE 106 Cb -0.34 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.48 3djq s ILE 106 CO 0.43 0.09 -0.19 -0.63 0.24 0.00 0.00 174.94 174.88 3djq s ILE 107 N -1.36 1.92 0.13 8.37 1.01 0.79 -0.83 121.20 131.23 3djq s ILE 107 Ca 0.26 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 60.13 3djq s ILE 107 Cb -0.11 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3djq s ILE 107 CO 0.18 0.52 -0.21 0.68 0.00 0.00 0.00 174.94 176.11 3djq s VAL 108 N 1.22 1.86 0.10 2.92 -7.23 -0.50 -0.41 120.40 118.35 3djq s VAL 108 Ca 0.02 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 3djq s VAL 108 Cb -0.14 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 3djq s VAL 108 CO -0.10 -0.11 0.68 0.00 -0.31 0.00 0.00 175.10 175.26 3djq s ALA 109 N -1.42 3.50 -0.04 1.32 0.00 -0.27 -0.82 121.76 124.02 3djq s ALA 109 Ca 0.11 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.31 3djq s ALA 109 Cb -0.09 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 3djq s ALA 109 CO 0.05 0.29 -0.19 0.00 0.00 0.00 0.00 175.76 175.92 3djq s GLY 111 N -0.59 0.50 0.00 0.00 0.00 -0.25 -4.85 107.32 102.14 3djq s GLY 111 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.98 3djq s GLY 111 CO 0.01 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.17 3djq n GLY 112 N -0.43 -2.43 2.71 0.20 0.00 -1.26 -1.57 105.19 102.42 3djq n GLY 112 Ca -0.02 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 3djq n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djq s LYS 113 N -0.74 0.39 0.76 1.61 2.20 -1.26 -2.86 119.74 119.84 3djq s LYS 113 Ca 0.00 -0.00 -0.15 0.00 -0.36 0.00 0.00 55.97 55.46 3djq s LYS 113 Cb 0.00 -1.32 0.06 0.00 -1.51 0.00 0.00 37.83 35.05 3djq s LYS 113 CO 0.00 -0.46 1.23 -2.14 -0.36 0.00 0.00 175.35 173.62 3djq s PRO 114 N 2.01 1.91 -0.23 4.03 0.02 -1.26 -5.07 135.00 136.41 3djq s PRO 114 Ca 0.03 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 3djq s PRO 114 Cb -0.14 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 3djq s PRO 114 CO -0.06 -2.03 1.47 0.45 -0.33 0.00 0.00 177.00 176.50 3djq s SER 115 N -1.95 6.56 0.17 2.53 0.15 -1.13 -4.87 113.70 115.16 3djq s SER 115 Ca 0.76 1.52 0.03 0.00 0.70 0.00 0.00 55.95 58.96 3djq s SER 115 Cb -0.31 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.42 3djq s SER 115 CO 0.47 -1.12 -0.05 0.68 1.20 0.00 0.00 173.24 174.43 3djq s VAL 116 N 4.64 0.98 0.24 4.45 -7.23 -0.61 -4.82 120.40 118.05 3djq s VAL 116 Ca 0.64 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.48 3djq s VAL 116 Cb -0.22 -2.03 -0.11 0.00 0.56 0.00 0.00 36.38 34.57 3djq s VAL 116 CO 0.25 -0.58 1.59 -2.84 -0.31 0.00 0.00 175.10 173.22 3djq s PRO 117 N -3.82 4.17 0.00 4.82 0.02 -1.26 -1.09 135.00 137.83 3djq s PRO 117 Ca 0.21 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3djq s PRO 117 Cb 0.04 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3djq s PRO 117 CO 0.03 -0.62 0.00 1.33 -0.33 0.00 0.00 177.00 177.41 3djq n VAL 118 N 3.02 0.00 -3.73 3.83 0.24 0.70 -4.87 118.33 117.53 3djq n VAL 118 Ca 0.11 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 3djq n VAL 118 Cb 0.38 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.41 3djq n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djq s HIS 119 N -1.09 -0.39 -0.34 6.34 5.65 -1.16 -4.98 115.29 119.32 3djq s HIS 119 Ca 0.00 0.88 -0.15 0.00 0.25 0.00 0.00 55.06 56.04 3djq s HIS 119 Cb 0.00 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.54 3djq s HIS 119 CO 0.00 -0.29 0.35 0.12 -0.65 0.00 0.00 174.74 174.27 3djq s PHE 120 N -0.29 3.21 -0.16 3.88 2.19 -1.26 -1.11 117.98 124.44 3djq s PHE 120 Ca -0.04 -0.04 -0.17 0.00 0.33 0.00 0.00 56.93 57.00 3djq s PHE 120 Cb -0.03 -2.65 -0.23 0.00 -1.31 0.00 0.00 43.02 38.79 3djq s PHE 120 CO 0.02 -0.43 0.37 0.22 1.83 0.00 0.00 175.22 177.23 3djq h ASP 121 N 8.47 0.20 -4.72 6.13 3.58 -1.07 -3.48 116.42 125.52 3djq h ASP 121 Ca -0.30 -0.73 0.25 0.00 0.42 0.00 0.00 57.03 56.67 3djq h ASP 121 Cb 1.14 -0.07 -0.16 0.00 1.72 0.00 0.00 39.33 41.97 3djq h ASP 121 CO 0.69 1.59 0.76 0.00 -2.88 0.00 0.00 179.24 179.40 3djq s ALA 122 N -2.43 -2.06 0.15 -0.78 0.00 -1.01 -4.89 121.76 110.73 3djq s ALA 122 Ca -0.24 1.23 0.11 0.00 0.00 0.00 0.00 51.96 53.05 3djq s ALA 122 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3djq s ALA 122 CO 0.68 -0.74 -0.24 -1.54 0.00 0.00 0.00 175.76 173.93 3djq s SER 123 N -2.45 3.51 0.00 0.00 1.04 -1.26 -0.15 113.70 114.38 3djq s SER 123 Ca 0.10 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3djq s SER 123 Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.81 3djq s SER 123 CO -0.05 0.16 0.03 0.55 0.98 0.00 0.00 173.24 174.91