#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djx n GLU 2 N 0.00 1.84 -1.66 1.64 2.13 -1.26 -4.94 120.64 118.39 3djx n GLU 2 Ca 0.00 0.67 -0.33 0.00 0.66 0.00 0.00 57.16 58.16 3djx n GLU 2 Cb 0.00 -2.40 0.06 0.00 0.27 0.00 0.00 31.44 29.36 3djx n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djx s SER 3 N 1.08 5.00 0.28 4.31 1.04 -1.26 -4.82 113.70 119.32 3djx s SER 3 Ca 0.82 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 59.17 3djx s SER 3 Cb -0.77 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.18 3djx s SER 3 CO 0.42 -1.70 1.94 0.00 0.98 0.00 0.00 173.24 174.88 3djx h ALA 4 N -0.20 1.37 -0.39 5.32 0.00 -1.99 0.91 119.26 124.28 3djx h ALA 4 Ca -0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3djx h ALA 4 Cb 1.24 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3djx h ALA 4 CO 0.54 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.54 3djx h ALA 5 N 1.44 0.50 -0.56 0.00 0.00 -2.00 -1.20 119.26 117.44 3djx h ALA 5 Ca 0.35 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3djx h ALA 5 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3djx h ALA 5 CO -0.09 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.26 3djx h ALA 6 N 1.03 0.98 -0.74 0.00 0.00 -1.80 -2.09 119.26 116.64 3djx h ALA 6 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3djx h ALA 6 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3djx h ALA 6 CO -0.02 0.63 0.27 -0.22 0.00 0.00 0.00 179.25 179.91 3djx h LYS 7 N 0.87 1.12 -0.31 0.00 3.64 -0.53 -0.36 116.57 121.00 3djx h LYS 7 Ca 0.17 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3djx h LYS 7 Cb 0.49 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3djx h LYS 7 CO 0.02 0.93 0.13 0.35 -2.27 0.00 0.00 179.45 178.61 3djx h PHE 8 N 1.07 0.46 -0.71 1.91 3.04 -0.95 -0.00 116.94 121.76 3djx h PHE 8 Ca 0.24 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.19 3djx h PHE 8 Cb 0.24 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 3djx h PHE 8 CO 0.02 0.44 0.44 0.93 -2.02 0.00 0.00 178.31 178.13 3djx h GLU 9 N 0.35 0.85 -0.20 1.11 5.08 -1.06 0.26 114.58 120.97 3djx h GLU 9 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3djx h GLU 9 Cb 0.17 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3djx h GLU 9 CO -0.01 0.56 0.05 -0.09 -1.00 0.00 0.00 179.01 178.53 3djx h ARG 10 N 0.87 0.32 -0.00 2.33 2.43 -0.87 -2.16 114.38 117.29 3djx h ARG 10 Ca 0.28 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.20 3djx h ARG 10 Cb 0.01 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3djx h ARG 10 CO -0.11 0.43 -0.81 1.96 -1.51 0.00 0.00 179.97 179.94 3djx h GLN 11 N 0.14 0.08 0.00 0.20 4.20 -0.80 -3.41 115.11 115.52 3djx h GLN 11 Ca 0.06 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3djx h GLN 11 Cb 0.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3djx h GLN 11 CO -0.00 0.84 -0.01 0.72 -0.67 0.00 0.00 178.83 179.71 3djx n HIS 12 N -3.64 0.00 -4.02 2.96 8.25 0.90 -5.04 115.22 114.63 3djx n HIS 12 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 3djx n HIS 12 Cb 0.77 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.76 3djx n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djx s MET 13 N -0.66 3.71 -0.42 -0.41 -1.94 -0.82 -5.00 119.30 113.77 3djx s MET 13 Ca 0.00 -0.47 0.07 0.00 -1.71 0.00 0.00 55.69 53.58 3djx s MET 13 Cb 0.00 -3.15 0.23 0.00 2.01 0.00 0.00 34.83 33.92 3djx s MET 13 CO 0.00 0.05 0.56 -3.47 -0.01 0.00 0.00 175.02 172.15 3djx n ASP 14 N 4.17 -0.65 -4.74 3.03 2.03 -1.26 -4.84 116.55 114.29 3djx n ASP 14 Ca -0.17 -2.75 -0.41 0.00 0.52 0.00 0.00 54.79 51.98 3djx n ASP 14 Cb 0.52 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 3djx n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3djx s SER 15 N -0.95 6.62 0.00 1.67 0.01 -1.26 -4.90 113.70 114.89 3djx s SER 15 Ca 0.34 2.68 0.00 0.00 1.31 0.00 0.00 55.95 60.28 3djx s SER 15 Cb 0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3djx s SER 15 CO -0.15 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.37 3djx n GLY 16 N 2.49 3.01 0.09 3.44 0.00 -1.26 -5.02 105.19 107.93 3djx n GLY 16 Ca 0.08 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.89 3djx n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djx h ASN 17 N 0.00 0.00 -1.83 1.61 2.35 -2.08 -3.40 115.58 112.23 3djx h ASN 17 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 3djx h ASN 17 Cb 0.00 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 37.99 3djx h ASN 17 CO 0.00 0.81 -1.12 -1.20 -1.65 0.00 0.00 177.43 174.27 3djx n SER 18 N -3.24 0.40 -0.03 5.81 7.64 -1.26 -4.98 113.62 117.97 3djx n SER 18 Ca -0.02 -3.00 0.04 0.00 1.01 0.00 0.00 58.87 56.91 3djx n SER 18 Cb 0.88 -0.40 0.41 0.00 -1.01 0.00 0.00 64.21 64.09 3djx n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3djx h PRO 19 N 3.23 0.57 -0.04 1.43 0.13 -1.91 -1.92 132.00 133.50 3djx h PRO 19 Ca 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3djx h PRO 19 Cb 0.96 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3djx h PRO 19 CO 0.46 0.38 0.00 -1.13 -0.23 0.00 0.00 178.00 177.48 3djx n SER 20 N -4.47 1.73 -4.59 1.44 3.41 -1.26 -4.85 113.62 105.04 3djx n SER 20 Ca 0.04 -1.59 -0.43 0.00 -0.26 0.00 0.00 58.87 56.63 3djx n SER 20 Cb 0.08 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3djx n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3djx n SER 21 N 0.36 1.14 0.27 4.04 2.88 -0.72 -4.86 113.62 116.72 3djx n SER 21 Ca 0.18 1.11 0.16 0.00 -1.33 0.00 0.00 58.87 58.99 3djx n SER 21 Cb 0.39 -1.30 0.91 0.00 -0.75 0.00 0.00 64.21 63.45 3djx n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3djx h SER 22 N 1.74 0.00 0.32 -3.46 4.64 -1.93 -0.40 113.55 114.47 3djx h SER 22 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3djx h SER 22 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3djx h SER 22 CO 0.58 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.31 3djx h SER 23 N 0.00 0.00 -0.03 4.97 4.64 -1.93 -2.20 113.55 119.00 3djx h SER 23 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3djx h SER 23 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3djx h SER 23 CO -0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3djx n ASN 24 N -2.89 1.93 -0.05 4.97 5.03 -0.16 -4.39 115.26 119.70 3djx n ASN 24 Ca -0.01 -1.65 -0.08 0.00 0.87 0.00 0.00 54.58 53.71 3djx n ASN 24 Cb 0.14 -0.01 -0.01 0.00 -1.02 0.00 0.00 39.78 38.87 3djx n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3djx h TYR 25 N 2.99 -0.35 -0.76 3.10 3.20 -1.51 -1.74 116.97 121.90 3djx h TYR 25 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3djx h TYR 25 Cb 0.64 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3djx h TYR 25 CO 0.01 -0.21 0.36 0.00 -1.64 0.00 0.00 178.16 176.68 3djx h ASN 27 N 1.08 0.42 -0.11 0.00 2.35 -1.66 0.17 115.58 117.83 3djx h ASN 27 Ca 0.26 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.92 3djx h ASN 27 Cb 0.12 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3djx h ASN 27 CO -0.03 0.26 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.45 3djx h LEU 28 N 0.57 0.62 -0.21 1.61 3.38 -0.95 -3.06 115.31 117.27 3djx h LEU 28 Ca 0.32 -0.63 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3djx h LEU 28 Cb 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3djx h LEU 28 CO -0.25 1.15 -0.46 0.24 0.09 0.00 0.00 178.44 179.22 3djx h MET 29 N 0.13 0.67 -0.55 1.13 2.86 -0.74 0.18 114.93 118.62 3djx h MET 29 Ca -0.03 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 3djx h MET 29 Cb 1.12 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 3djx h MET 29 CO 0.10 1.07 0.28 0.52 1.06 0.00 0.00 176.91 179.94 3djx h MET 30 N 0.37 0.76 0.14 1.72 2.86 -1.08 0.28 114.93 119.98 3djx h MET 30 Ca 0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3djx h MET 30 Cb 1.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3djx h MET 30 CO 0.10 0.58 -0.07 0.00 1.06 0.00 0.00 176.91 178.58 3djx n ARG 33 N -4.57 2.25 -3.06 0.00 5.12 0.95 -4.91 116.66 112.44 3djx n ARG 33 Ca 0.11 -1.46 -0.12 0.00 -1.93 0.00 0.00 57.85 54.45 3djx n ARG 33 Cb 0.11 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 29.96 3djx n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djx n LYS 34 N 0.53 -4.17 -0.35 5.56 5.02 -0.88 -4.93 118.16 118.93 3djx n LYS 34 Ca 0.13 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 3djx n LYS 34 Cb 0.46 -4.28 0.21 0.00 -0.02 0.00 0.00 35.03 31.40 3djx n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djx n MET 35 N -2.86 2.24 0.00 1.97 2.81 0.16 -4.45 117.12 116.98 3djx n MET 35 Ca -0.00 -2.80 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 3djx n MET 35 Cb 0.53 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3djx n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djx n THR 36 N -0.90 0.56 -2.96 2.03 -2.24 -1.22 -1.98 114.28 107.58 3djx n THR 36 Ca 0.21 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 3djx n THR 36 Cb 0.82 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 3djx n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djx s GLN 37 N -0.56 4.24 0.00 -0.78 -0.21 -1.26 -4.26 119.66 116.83 3djx s GLN 37 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.26 3djx s GLN 37 Cb 0.00 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.42 3djx s GLN 37 CO 0.00 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 3djx n GLY 38 N 3.64 2.35 3.53 3.09 0.00 -1.26 -4.88 105.19 111.67 3djx n GLY 38 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 3djx n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djx s LYS 39 N 0.00 1.39 -0.23 1.61 0.00 -1.26 -5.05 119.74 116.21 3djx s LYS 39 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 55.97 54.86 3djx s LYS 39 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 37.83 38.36 3djx s LYS 39 CO 0.00 -0.59 0.92 0.00 0.00 0.00 0.00 175.35 175.68 3djx s LYS 41 N 2.92 4.17 0.21 0.00 2.20 -0.84 -4.90 119.74 123.51 3djx s LYS 41 Ca 0.39 2.44 -0.06 0.00 -0.36 0.00 0.00 55.97 58.38 3djx s LYS 41 Cb -0.15 -3.77 0.16 0.00 -1.51 0.00 0.00 37.83 32.56 3djx s LYS 41 CO 0.07 -0.82 1.67 -1.35 -0.36 0.00 0.00 175.35 174.56 3djx h PRO 42 N 9.04 0.94 -3.50 4.03 0.11 -1.94 -3.44 132.00 137.24 3djx h PRO 42 Ca -0.44 -0.31 -0.29 0.00 0.11 0.00 0.00 66.00 65.07 3djx h PRO 42 Cb 1.21 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.90 3djx h PRO 42 CO 0.94 0.96 -0.71 0.08 -0.21 0.00 0.00 178.00 179.06 3djx s VAL 43 N -4.92 -0.05 -0.15 3.15 1.01 -1.26 -1.86 120.40 116.32 3djx s VAL 43 Ca -0.11 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 3djx s VAL 43 Cb 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.47 3djx s VAL 43 CO 0.84 0.08 0.39 0.21 0.00 0.00 0.00 175.10 176.62 3djx s ASN 44 N 1.02 -0.42 -0.13 3.32 2.47 -0.04 -5.02 114.94 116.14 3djx s ASN 44 Ca -0.08 0.79 -0.04 0.00 0.42 0.00 0.00 52.86 53.95 3djx s ASN 44 Cb -0.12 0.77 -0.03 0.00 -1.45 0.00 0.00 41.25 40.41 3djx s ASN 44 CO -0.03 -0.15 0.01 -0.89 -3.72 0.00 0.00 177.10 172.32 3djx s THR 45 N 0.52 4.33 -0.10 -5.21 2.01 -1.26 -0.56 115.64 115.37 3djx s THR 45 Ca -0.03 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 3djx s THR 45 Cb -0.04 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3djx s THR 45 CO -0.03 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.05 3djx s PHE 46 N -0.19 3.05 -0.17 4.92 0.08 -0.12 -4.98 117.98 120.57 3djx s PHE 46 Ca 0.05 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3djx s PHE 46 Cb -0.12 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3djx s PHE 46 CO 0.02 0.29 -0.00 0.08 -0.10 0.00 0.00 175.22 175.51 3djx s VAL 47 N -0.52 4.13 -2.77 -0.44 1.01 -1.26 -0.18 120.40 120.36 3djx s VAL 47 Ca 0.08 -0.27 0.25 0.00 0.00 0.00 0.00 61.98 62.05 3djx s VAL 47 Cb -0.12 -2.84 0.33 0.00 0.00 0.00 0.00 36.38 33.75 3djx s VAL 47 CO 0.02 0.47 1.43 1.41 0.00 0.00 0.00 175.10 178.43 3djx n HIS 48 N 3.74 0.05 -1.96 5.22 -0.00 -0.25 -4.94 115.22 117.07 3djx n HIS 48 Ca -0.17 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.72 57.22 3djx n HIS 48 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.54 3djx n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djx s GLU 49 N -1.95 3.15 0.42 -0.41 0.41 -1.26 -5.00 118.70 114.06 3djx s GLU 49 Ca 0.32 0.50 -0.25 0.00 -0.41 0.00 0.00 54.97 55.14 3djx s GLU 49 Cb 0.20 -2.08 -0.10 0.00 -1.78 0.00 0.00 34.13 30.37 3djx s GLU 49 CO 0.31 -0.81 1.15 0.45 -0.49 0.00 0.00 175.26 175.87 3djx n SER 50 N -2.85 1.92 0.14 -0.19 2.88 -1.26 -4.85 113.62 109.42 3djx n SER 50 Ca 0.06 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 3djx n SER 50 Cb 0.56 -1.43 0.65 0.00 -0.75 0.00 0.00 64.21 63.24 3djx n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3djx h LEU 51 N 1.79 0.02 -0.58 2.46 5.85 -1.96 -0.97 115.31 121.92 3djx h LEU 51 Ca -0.46 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.28 3djx h LEU 51 Cb 1.32 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 3djx h LEU 51 CO 0.58 0.01 0.35 0.00 -0.34 0.00 0.00 178.44 179.05 3djx h ALA 52 N 1.88 0.75 -0.35 1.25 0.00 -1.99 0.10 119.26 120.90 3djx h ALA 52 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3djx h ALA 52 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3djx h ALA 52 CO -0.00 0.09 -0.25 -0.44 0.00 0.00 0.00 179.25 178.64 3djx h ASP 53 N 0.70 0.71 -0.24 0.00 3.32 -1.55 -1.35 116.42 118.01 3djx h ASP 53 Ca 0.23 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 3djx h ASP 53 Cb 0.02 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3djx h ASP 53 CO -0.10 0.93 -0.47 0.58 -1.72 0.00 0.00 179.24 178.46 3djx h VAL 54 N 0.60 1.30 -0.63 -1.35 2.07 -1.09 -2.99 116.25 114.17 3djx h VAL 54 Ca 0.08 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 3djx h VAL 54 Cb 0.74 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3djx h VAL 54 CO 0.06 0.53 0.35 0.11 0.02 0.00 0.00 177.57 178.64 3djx h LYS 55 N 0.48 0.87 0.00 1.57 1.57 -0.73 -2.17 116.57 118.16 3djx h LYS 55 Ca 0.01 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3djx h LYS 55 Cb 1.08 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3djx h LYS 55 CO 0.11 0.64 -0.01 0.00 -0.57 0.00 0.00 179.45 179.61 3djx h ALA 56 N 1.50 1.15 -0.04 3.86 0.00 -1.09 -1.76 119.26 122.89 3djx h ALA 56 Ca 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3djx h ALA 56 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3djx h ALA 56 CO -0.04 0.02 0.03 0.28 0.00 0.00 0.00 179.25 179.54 3djx h VAL 57 N 0.00 0.89 0.00 0.00 2.07 -1.34 -1.45 116.25 116.42 3djx h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3djx h VAL 57 Cb 0.09 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3djx h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3djx n SER 59 N -1.36 2.53 0.00 0.00 7.64 -0.55 -5.03 113.62 116.85 3djx n SER 59 Ca 0.04 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.06 3djx n SER 59 Cb 0.10 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3djx n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3djx n GLN 60 N -1.08 0.84 -2.75 1.43 6.02 -0.19 -5.02 117.38 116.62 3djx n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3djx n GLN 60 Cb 0.60 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.83 3djx n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djx s LYS 61 N 4.28 3.91 0.18 -1.09 2.20 -0.94 -4.89 119.74 123.39 3djx s LYS 61 Ca 0.00 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 56.03 3djx s LYS 61 Cb 0.00 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 3djx s LYS 61 CO 0.00 -0.94 1.45 0.15 -0.36 0.00 0.00 175.35 175.65 3djx s LYS 62 N 3.55 4.28 0.03 4.03 1.02 -1.26 0.65 119.74 132.04 3djx s LYS 62 Ca 0.40 2.22 -0.02 0.00 0.02 0.00 0.00 55.97 58.60 3djx s LYS 62 Cb -0.12 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3djx s LYS 62 CO 0.18 -0.46 -0.00 0.14 -0.92 0.00 0.00 175.35 174.29 3djx s VAL 63 N 0.69 0.14 0.30 3.17 -7.23 -0.74 -4.83 120.40 111.89 3djx s VAL 63 Ca 0.64 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 3djx s VAL 63 Cb -0.40 -0.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.73 3djx s VAL 63 CO 0.35 -0.64 1.21 -0.89 -0.31 0.00 0.00 175.10 174.82 3djx s THR 64 N -2.31 3.10 0.72 5.32 2.01 -1.26 -3.48 115.64 119.74 3djx s THR 64 Ca -0.08 1.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.88 3djx s THR 64 Cb -0.04 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.81 3djx s THR 64 CO -0.04 0.25 1.11 0.00 -0.69 0.00 0.00 174.62 175.25 3djx h LYS 66 N -0.57 0.05 -0.47 0.00 1.57 -1.90 -1.76 116.57 113.48 3djx h LYS 66 Ca -0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3djx h LYS 66 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3djx h LYS 66 CO 0.52 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.70 3djx n ASN 67 N -4.51 2.50 0.00 0.86 0.23 -1.26 -4.92 115.26 108.16 3djx n ASN 67 Ca -0.00 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 3djx n ASN 67 Cb 0.17 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 3djx n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3djx n GLY 68 N 1.10 1.84 3.72 4.83 0.00 -0.66 -5.04 105.19 110.97 3djx n GLY 68 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3djx n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djx s GLN 69 N -0.42 1.73 -0.27 1.61 -0.21 -1.26 -4.78 119.66 116.06 3djx s GLN 69 Ca 0.00 1.43 0.09 0.00 0.02 0.00 0.00 55.36 56.90 3djx s GLN 69 Cb 0.00 -1.82 0.46 0.00 1.00 0.00 0.00 33.01 32.65 3djx s GLN 69 CO 0.00 -2.08 1.19 0.25 -2.12 0.00 0.00 175.29 172.53 3djx n THR 70 N -3.65 2.37 -1.80 -0.19 -2.24 -1.26 -1.36 114.28 106.15 3djx n THR 70 Ca 0.11 -3.96 0.05 0.00 -2.27 0.00 0.00 64.05 57.99 3djx n THR 70 Cb 0.52 -0.82 0.11 0.00 -2.10 0.00 0.00 70.33 68.04 3djx n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djx n ASN 71 N -0.75 1.38 -4.91 3.42 6.94 -1.26 -5.01 115.26 115.07 3djx n ASN 71 Ca 0.37 -2.92 -0.29 0.00 -0.02 0.00 0.00 54.58 51.73 3djx n ASN 71 Cb 0.92 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 37.91 3djx n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djx s TYR 73 N -1.84 0.00 -0.11 0.00 1.51 0.03 -1.80 117.35 115.15 3djx s TYR 73 Ca 0.40 0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 3djx s TYR 73 Cb -0.11 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 3djx s TYR 73 CO 0.28 -0.08 0.03 -1.14 -1.11 0.00 0.00 175.55 173.52 3djx s GLN 74 N -0.35 3.25 0.33 -0.62 0.74 0.21 -1.26 119.66 121.97 3djx s GLN 74 Ca -0.04 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.72 3djx s GLN 74 Cb -0.03 -2.92 -0.11 0.00 1.10 0.00 0.00 33.01 31.05 3djx s GLN 74 CO 0.00 0.61 1.49 -1.54 -0.55 0.00 0.00 175.29 175.31 3djx s SER 75 N -0.62 6.44 0.24 6.67 1.04 0.12 -2.21 113.70 125.38 3djx s SER 75 Ca 0.11 2.93 -0.05 0.00 0.48 0.00 0.00 55.95 59.41 3djx s SER 75 Cb -0.12 -2.65 0.25 0.00 0.10 0.00 0.00 66.02 63.60 3djx s SER 75 CO 0.02 -0.82 1.80 0.11 0.98 0.00 0.00 173.24 175.33 3djx h LYS 76 N 3.86 1.08 -6.13 4.02 1.57 -1.94 -3.44 116.57 115.59 3djx h LYS 76 Ca -0.49 -0.20 -0.56 0.00 -1.87 0.00 0.00 60.65 57.54 3djx h LYS 76 Cb 1.23 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 3djx h LYS 76 CO 0.71 0.89 -0.60 -1.12 -0.57 0.00 0.00 179.45 178.76 3djx s SER 77 N -6.43 4.53 0.72 0.86 0.01 -1.26 -5.08 113.70 107.05 3djx s SER 77 Ca -0.11 -0.75 -0.12 0.00 1.31 0.00 0.00 55.95 56.27 3djx s SER 77 Cb 0.16 -0.75 0.03 0.00 0.21 0.00 0.00 66.02 65.67 3djx s SER 77 CO 0.83 -0.15 1.08 0.42 0.41 0.00 0.00 173.24 175.83 3djx s THR 78 N -2.40 3.58 0.08 1.44 -4.23 -1.26 -4.57 115.64 108.27 3djx s THR 78 Ca 0.34 0.56 0.05 0.00 -1.18 0.00 0.00 61.69 61.47 3djx s THR 78 Cb -0.04 -3.13 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 3djx s THR 78 CO 0.21 -0.62 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.48 3djx s MET 79 N -4.76 0.87 -0.27 3.99 -1.94 0.32 -4.88 119.30 112.62 3djx s MET 79 Ca 0.61 -1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 53.30 3djx s MET 79 Cb -0.17 -0.88 -0.00 0.00 2.01 0.00 0.00 34.83 35.79 3djx s MET 79 CO 0.52 0.19 1.32 1.03 -0.01 0.00 0.00 175.02 178.07 3djx s ARG 80 N -1.86 3.96 0.17 2.03 0.52 -1.26 -1.80 118.95 120.70 3djx s ARG 80 Ca -0.00 1.35 0.03 0.00 -0.52 0.00 0.00 55.73 56.59 3djx s ARG 80 Cb -0.09 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 3djx s ARG 80 CO 0.02 -1.06 -0.04 0.96 0.02 0.00 0.00 175.30 175.21 3djx s ILE 81 N 4.27 0.88 -0.12 1.52 -4.36 -0.54 -1.09 121.20 121.77 3djx s ILE 81 Ca 0.57 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 3djx s ILE 81 Cb -0.18 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.51 3djx s ILE 81 CO 0.22 -0.57 -0.22 -0.89 0.24 0.00 0.00 174.94 173.72 3djx s THR 82 N -3.52 1.96 -0.24 8.37 2.01 0.74 -1.72 115.64 123.24 3djx s THR 82 Ca 0.21 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 3djx s THR 82 Cb 0.05 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3djx s THR 82 CO 0.03 0.53 0.26 -0.62 -0.69 0.00 0.00 174.62 174.13 3djx s ASP 83 N 0.68 6.20 -0.22 3.53 -1.08 0.42 -0.94 116.67 125.26 3djx s ASP 83 Ca -0.11 0.21 -0.04 0.00 -0.52 0.00 0.00 52.55 52.09 3djx s ASP 83 Cb -0.16 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 3djx s ASP 83 CO 0.02 -0.04 -0.02 0.00 0.52 0.00 0.00 175.17 175.64 3djx s ARG 85 N 1.39 0.65 0.26 0.00 0.52 -1.03 -0.86 118.95 119.89 3djx s ARG 85 Ca 0.05 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 3djx s ARG 85 Cb -0.14 -0.67 -0.14 0.00 0.52 0.00 0.00 34.95 34.52 3djx s ARG 85 CO -0.01 -0.00 1.18 0.39 0.02 0.00 0.00 175.30 176.87 3djx n GLU 86 N 3.62 1.60 -1.63 3.54 1.02 -0.77 0.15 120.64 128.16 3djx n GLU 86 Ca -0.21 0.57 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 3djx n GLU 86 Cb 0.53 -2.06 0.13 0.00 -0.02 0.00 0.00 31.44 30.03 3djx n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3djx s THR 87 N -0.68 1.98 0.42 2.62 -4.23 -0.51 -4.71 115.64 110.53 3djx s THR 87 Ca 0.63 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 61.49 3djx s THR 87 Cb -0.70 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 70.70 3djx s THR 87 CO 0.57 0.00 2.16 1.23 -0.54 0.00 0.00 174.62 178.03 3djx h GLY 88 N -1.46 0.00 0.83 3.99 0.00 -1.94 -3.01 103.07 101.49 3djx h GLY 88 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3djx h GLY 88 CO 0.60 0.00 -1.10 1.44 0.00 0.00 0.00 176.54 177.48 3djx n SER 89 N -3.31 0.70 -4.70 0.19 7.64 -1.26 -4.95 113.62 107.93 3djx n SER 89 Ca -0.02 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 3djx n SER 89 Cb 0.20 0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 64.03 3djx n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3djx n SER 90 N -2.48 3.53 -3.51 6.43 2.88 -1.14 -4.96 113.62 114.37 3djx n SER 90 Ca 0.00 1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 58.59 3djx n SER 90 Cb 0.53 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 62.40 3djx n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3djx s LYS 91 N 0.45 0.41 0.21 -1.46 2.20 -0.80 -4.90 119.74 115.85 3djx s LYS 91 Ca 0.72 0.99 -0.31 0.00 -0.36 0.00 0.00 55.97 57.01 3djx s LYS 91 Cb -0.57 0.27 -0.15 0.00 -1.51 0.00 0.00 37.83 35.86 3djx s LYS 91 CO 0.40 -0.39 1.06 0.98 -0.36 0.00 0.00 175.35 177.04 3djx n TYR 92 N 5.40 1.13 0.60 4.03 9.36 -1.26 0.05 117.16 136.48 3djx n TYR 92 Ca -0.07 0.72 0.05 0.00 3.32 0.00 0.00 57.90 61.92 3djx n TYR 92 Cb 0.50 -2.24 0.17 0.00 -0.63 0.00 0.00 39.34 37.14 3djx n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djx n PRO 93 N 1.34 2.18 -3.28 2.98 -0.04 -1.26 -4.97 135.00 131.95 3djx n PRO 93 Ca 0.13 -1.36 -0.43 0.00 -0.04 0.00 0.00 63.50 61.80 3djx n PRO 93 Cb 0.27 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 3djx n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djx n ASN 94 N 0.46 5.60 -4.74 3.54 4.13 0.11 -5.03 115.26 119.32 3djx n ASN 94 Ca 0.12 -3.16 -0.41 0.00 1.68 0.00 0.00 54.58 52.82 3djx n ASN 94 Cb 0.44 -1.30 -0.04 0.00 -1.54 0.00 0.00 39.78 37.34 3djx n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djx s ALA 96 N -0.39 0.24 0.03 0.00 0.00 -1.26 -4.94 121.76 115.45 3djx s ALA 96 Ca 0.50 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.47 3djx s ALA 96 Cb -0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3djx s ALA 96 CO 0.37 0.02 -0.12 0.71 0.00 0.00 0.00 175.76 176.74 3djx s TYR 97 N 0.25 1.06 -0.13 0.00 2.02 -1.26 -1.42 117.35 117.87 3djx s TYR 97 Ca -0.02 -0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.12 3djx s TYR 97 Cb -0.05 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3djx s TYR 97 CO -0.01 0.01 0.71 0.21 -1.57 0.00 0.00 175.55 174.90 3djx s LYS 98 N -0.98 4.33 -0.21 -0.62 2.36 0.12 -4.67 119.74 120.07 3djx s LYS 98 Ca 0.01 0.83 -0.15 0.00 -2.55 0.00 0.00 55.97 54.11 3djx s LYS 98 Cb -0.07 -3.52 -0.04 0.00 -1.05 0.00 0.00 37.83 33.15 3djx s LYS 98 CO 0.01 -0.13 0.35 0.99 1.55 0.00 0.00 175.35 178.12 3djx s THR 99 N 1.49 5.23 -0.10 3.43 2.01 -1.26 -2.46 115.64 123.98 3djx s THR 99 Ca 0.35 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 3djx s THR 99 Cb -0.17 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3djx s THR 99 CO 0.14 0.27 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.40 3djx s THR 100 N 1.29 0.80 -0.11 -0.82 2.01 -0.58 -4.98 115.64 113.26 3djx s THR 100 Ca 0.17 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3djx s THR 100 Cb -0.15 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3djx s THR 100 CO 0.07 0.33 0.64 -1.10 -0.69 0.00 0.00 174.62 173.88 3djx s GLN 101 N 1.75 4.36 0.13 4.92 -0.21 -1.26 -0.43 119.66 128.92 3djx s GLN 101 Ca 0.04 0.74 -0.02 0.00 0.02 0.00 0.00 55.36 56.14 3djx s GLN 101 Cb -0.13 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 3djx s GLN 101 CO -0.07 -0.00 0.07 0.14 -2.12 0.00 0.00 175.29 173.31 3djx s VAL 102 N 1.07 0.10 -0.22 1.09 -7.23 -0.70 -5.00 120.40 109.50 3djx s VAL 102 Ca 0.33 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3djx s VAL 102 Cb -0.17 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3djx s VAL 102 CO 0.14 -0.45 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.77 3djx s GLU 103 N -4.04 2.92 0.09 4.82 2.02 -1.26 -1.46 118.70 121.79 3djx s GLU 103 Ca 0.24 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 3djx s GLU 103 Cb 0.07 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3djx s GLU 103 CO 0.02 -0.33 0.08 0.15 0.02 0.00 0.00 175.26 175.20 3djx s LYS 104 N 1.32 0.81 0.44 1.61 1.02 -0.75 -4.83 119.74 119.36 3djx s LYS 104 Ca 0.02 -1.21 -0.23 0.00 0.02 0.00 0.00 55.97 54.56 3djx s LYS 104 Cb -0.15 0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 3djx s LYS 104 CO -0.07 -0.22 1.13 -1.01 -0.92 0.00 0.00 175.35 174.27 3djx s HIS 105 N -3.94 2.99 0.09 3.18 3.76 -0.33 -0.52 115.29 120.51 3djx s HIS 105 Ca 0.12 1.56 0.05 0.00 -0.15 0.00 0.00 55.06 56.64 3djx s HIS 105 Cb 0.07 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 3djx s HIS 105 CO -0.06 -1.26 0.00 0.96 -0.85 0.00 0.00 174.74 173.53 3djx s ILE 106 N -1.58 4.03 -0.13 0.60 -4.36 -1.26 -1.02 121.20 117.48 3djx s ILE 106 Ca 0.62 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.03 3djx s ILE 106 Cb -0.27 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.53 3djx s ILE 106 CO 0.33 0.11 -0.20 -0.63 0.24 0.00 0.00 174.94 174.79 3djx s ILE 107 N -1.33 1.89 0.13 8.37 1.01 0.46 -0.70 121.20 131.04 3djx s ILE 107 Ca 0.26 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.10 3djx s ILE 107 Cb -0.12 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3djx s ILE 107 CO 0.18 0.52 -0.16 0.68 0.00 0.00 0.00 174.94 176.16 3djx s VAL 108 N 0.83 1.56 -0.02 2.92 -7.23 -0.39 -0.36 120.40 117.71 3djx s VAL 108 Ca -0.08 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.18 3djx s VAL 108 Cb -0.15 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3djx s VAL 108 CO -0.01 -0.33 0.42 0.00 -0.31 0.00 0.00 175.10 174.87 3djx s ALA 109 N -1.96 3.66 -0.09 1.32 0.00 -0.13 -0.79 121.76 123.77 3djx s ALA 109 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3djx s ALA 109 Cb -0.06 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 3djx s ALA 109 CO 0.05 0.39 -0.15 0.00 0.00 0.00 0.00 175.76 176.04 3djx s GLY 111 N -0.14 0.50 0.00 0.00 0.00 -0.14 -4.83 107.32 102.71 3djx s GLY 111 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3djx s GLY 111 CO 0.03 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.08 3djx n GLY 112 N -0.34 -2.59 2.71 0.20 0.00 -1.26 -1.73 105.19 102.18 3djx n GLY 112 Ca -0.04 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 3djx n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djx s LYS 113 N -0.77 0.43 0.75 1.61 1.02 -1.26 -2.98 119.74 118.54 3djx s LYS 113 Ca 0.00 -0.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 3djx s LYS 113 Cb 0.00 -1.56 0.05 0.00 -0.52 0.00 0.00 37.83 35.80 3djx s LYS 113 CO 0.00 -0.52 1.17 -1.25 -0.92 0.00 0.00 175.35 173.83 3djx s PRO 114 N 1.99 2.09 -0.26 -1.68 0.04 -1.26 -5.07 135.00 130.84 3djx s PRO 114 Ca 0.02 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 3djx s PRO 114 Cb -0.15 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3djx s PRO 114 CO -0.07 -1.84 1.31 0.45 0.04 0.00 0.00 177.00 176.89 3djx s SER 115 N -2.35 6.72 0.17 6.66 0.15 -1.16 -4.87 113.70 119.02 3djx s SER 115 Ca 0.71 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.72 3djx s SER 115 Cb -0.25 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.47 3djx s SER 115 CO 0.47 -1.01 -0.01 0.68 1.20 0.00 0.00 173.24 174.57 3djx s VAL 116 N 4.21 0.72 0.21 4.45 -7.23 -0.71 -4.82 120.40 117.23 3djx s VAL 116 Ca 0.57 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 58.44 3djx s VAL 116 Cb -0.18 -2.09 -0.12 0.00 0.56 0.00 0.00 36.38 34.55 3djx s VAL 116 CO 0.21 -0.51 1.68 -2.84 -0.31 0.00 0.00 175.10 173.34 3djx s PRO 117 N -3.90 4.14 0.00 4.82 0.02 -1.26 -0.97 135.00 137.85 3djx s PRO 117 Ca 0.23 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3djx s PRO 117 Cb 0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3djx s PRO 117 CO 0.03 -0.71 0.03 1.33 -0.33 0.00 0.00 177.00 177.35 3djx n VAL 118 N 3.75 0.00 -3.64 3.83 0.24 0.81 -4.87 118.33 118.45 3djx n VAL 118 Ca 0.15 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3djx n VAL 118 Cb 0.36 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.66 3djx n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djx s HIS 119 N -0.89 -0.67 -0.31 6.34 5.65 -1.17 -4.97 115.29 119.26 3djx s HIS 119 Ca 0.00 1.57 -0.13 0.00 0.25 0.00 0.00 55.06 56.75 3djx s HIS 119 Cb 0.00 0.26 -0.03 0.00 -1.18 0.00 0.00 32.58 31.62 3djx s HIS 119 CO 0.00 -0.38 0.27 0.12 -0.65 0.00 0.00 174.74 174.10 3djx s PHE 120 N 0.06 3.22 -0.19 3.88 2.19 -1.26 -0.95 117.98 124.94 3djx s PHE 120 Ca -0.02 0.06 -0.18 0.00 0.33 0.00 0.00 56.93 57.12 3djx s PHE 120 Cb -0.04 -2.50 -0.21 0.00 -1.31 0.00 0.00 43.02 38.97 3djx s PHE 120 CO 0.02 -0.28 0.26 0.22 1.83 0.00 0.00 175.22 177.27 3djx h ASP 121 N 8.38 0.10 -4.59 6.13 3.58 -1.03 -3.48 116.42 125.51 3djx h ASP 121 Ca -0.32 -0.61 0.20 0.00 0.42 0.00 0.00 57.03 56.71 3djx h ASP 121 Cb 1.17 -0.03 -0.16 0.00 1.72 0.00 0.00 39.33 42.02 3djx h ASP 121 CO 0.62 1.58 0.67 0.00 -2.88 0.00 0.00 179.24 179.22 3djx s ALA 122 N -2.41 -1.96 -0.02 -0.78 0.00 -1.02 -4.89 121.76 110.68 3djx s ALA 122 Ca -0.27 1.20 0.05 0.00 0.00 0.00 0.00 51.96 52.94 3djx s ALA 122 Cb 0.06 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3djx s ALA 122 CO 0.64 -0.70 -0.16 -1.54 0.00 0.00 0.00 175.76 174.00 3djx s SER 123 N -2.41 3.87 0.00 0.00 1.04 -1.26 -0.40 113.70 114.54 3djx s SER 123 Ca 0.08 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3djx s SER 123 Cb -0.01 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.39 3djx s SER 123 CO -0.06 0.31 0.18 1.33 0.98 0.00 0.00 173.24 175.99