#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdd s GLU 3 N 0.00 3.75 -0.16 0.38 2.02 -0.69 -4.93 118.70 119.06 2jdd s GLU 3 Ca 0.00 -0.44 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 2jdd s GLU 3 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 2jdd s GLU 3 CO 0.00 -0.08 0.43 0.08 0.02 0.00 0.00 175.26 175.71 2jdd s VAL 4 N 1.34 5.20 0.05 2.63 1.01 -1.26 -0.70 120.40 128.67 2jdd s VAL 4 Ca 0.05 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2jdd s VAL 4 Cb -0.15 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2jdd s VAL 4 CO 0.04 0.29 -0.07 -0.54 0.00 0.00 0.00 175.10 174.82 2jdd s LYS 5 N 0.96 0.59 0.51 2.72 1.02 -0.33 -5.00 119.74 120.21 2jdd s LYS 5 Ca 0.22 -0.89 -0.22 0.00 0.02 0.00 0.00 55.97 55.10 2jdd s LYS 5 Cb -0.15 -0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 36.87 2jdd s LYS 5 CO 0.08 0.02 1.26 -1.25 -0.92 0.00 0.00 175.35 174.54 2jdd s PRO 6 N -2.15 3.40 0.18 -1.68 0.04 -1.26 -0.74 135.00 132.79 2jdd s PRO 6 Ca -0.05 1.99 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2jdd s PRO 6 Cb -0.06 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 2jdd s PRO 6 CO -0.01 -0.91 0.04 0.96 0.04 0.00 0.00 177.00 177.12 2jdd s ILE 7 N -1.44 0.49 0.37 0.56 -4.36 -0.83 -4.74 121.20 111.26 2jdd s ILE 7 Ca 0.69 -1.97 -0.00 0.00 -0.26 0.00 0.00 60.65 59.10 2jdd s ILE 7 Cb -0.34 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 2jdd s ILE 7 CO 0.40 -0.34 0.59 0.20 0.24 0.00 0.00 174.94 176.03 2jdd s ASN 8 N -3.17 6.26 0.22 4.36 0.01 -1.26 -4.12 114.94 117.23 2jdd s ASN 8 Ca 0.28 0.51 -0.09 0.00 -0.71 0.00 0.00 52.86 52.85 2jdd s ASN 8 Cb 0.07 -2.03 0.33 0.00 0.41 0.00 0.00 41.25 40.02 2jdd s ASN 8 CO 0.06 -0.36 1.72 0.00 -1.51 0.00 0.00 177.10 177.00 2jdd h ALA 9 N 0.65 0.79 0.00 0.60 0.00 -1.96 -0.43 119.26 118.91 2jdd h ALA 9 Ca -0.49 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jdd h ALA 9 Cb 1.22 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jdd h ALA 9 CO 0.61 -0.27 -0.00 0.93 0.00 0.00 0.00 179.25 180.52 2jdd h GLU 10 N 0.32 0.00 0.00 0.00 3.07 -2.00 -1.44 114.58 114.53 2jdd h GLU 10 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2jdd h GLU 10 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2jdd h GLU 10 CO -0.39 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.97 2jdd n ASP 11 N -3.79 0.29 0.06 1.42 8.00 -0.17 -3.22 116.55 119.14 2jdd n ASP 11 Ca -0.03 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.13 2jdd n ASP 11 Cb 0.08 -0.62 0.06 0.00 -0.02 0.00 0.00 41.12 40.62 2jdd n ASP 11 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jdd n THR 12 N -1.79 0.38 -0.25 -3.53 -2.24 -0.54 -4.54 114.28 101.76 2jdd n THR 12 Ca 0.05 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 2jdd n THR 12 Cb 0.29 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.47 2jdd n THR 12 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2jdd h TYR 13 N 0.00 1.20 -0.07 4.78 0.05 -1.67 -1.06 116.97 120.19 2jdd h TYR 13 Ca 0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 2jdd h TYR 13 Cb 0.84 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 2jdd h TYR 13 CO 0.00 0.97 0.04 1.49 -1.05 0.00 0.00 178.16 179.61 2jdd h GLU 14 N 1.08 0.10 -0.14 4.88 4.81 -1.82 0.42 114.58 123.91 2jdd h GLU 14 Ca 0.22 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 2jdd h GLU 14 Cb 0.38 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jdd h GLU 14 CO 0.00 0.15 -0.57 -0.07 -0.73 0.00 0.00 179.01 177.79 2jdd h LEU 15 N 0.02 0.49 -0.44 1.64 3.38 -1.82 0.52 115.31 119.10 2jdd h LEU 15 Ca 0.03 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2jdd h LEU 15 Cb 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2jdd h LEU 15 CO -0.00 0.96 0.22 0.03 0.09 0.00 0.00 178.44 179.73 2jdd h ARG 16 N 0.33 0.42 -0.22 1.13 3.08 -1.07 -0.62 114.38 117.44 2jdd h ARG 16 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2jdd h ARG 16 Cb 1.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2jdd h ARG 16 CO 0.10 0.28 -0.01 1.25 -1.07 0.00 0.00 179.97 180.52 2jdd h HIS 17 N 0.43 0.43 -0.46 3.04 2.76 -0.68 0.02 115.15 120.70 2jdd h HIS 17 Ca 0.19 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2jdd h HIS 17 Cb 0.10 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2jdd h HIS 17 CO -0.10 0.59 0.10 0.00 -1.30 0.00 0.00 177.93 177.22 2jdd h ARG 18 N 0.15 0.74 0.02 5.26 3.08 -0.73 -1.18 114.38 121.72 2jdd h ARG 18 Ca 0.06 -0.18 -0.38 0.00 0.07 0.00 0.00 59.98 59.54 2jdd h ARG 18 Cb 0.43 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 2jdd h ARG 18 CO 0.01 0.74 -2.19 -0.89 -1.07 0.00 0.00 179.97 176.57 2jdd n ILE 19 N -4.49 1.56 -0.06 2.04 5.41 -0.25 -4.54 119.36 119.03 2jdd n ILE 19 Ca 0.01 -0.42 -0.20 0.00 1.00 0.00 0.00 62.75 63.13 2jdd n ILE 19 Cb 0.22 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.28 2jdd n ILE 19 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jdd n LEU 20 N -3.85 2.75 -2.78 1.39 4.77 -0.12 -4.73 117.00 114.43 2jdd n LEU 20 Ca -0.44 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 2jdd n LEU 20 Cb 0.91 -1.02 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2jdd n LEU 20 CO 0.20 0.87 -0.08 0.54 -1.33 0.00 0.00 177.39 177.59 2jdd n ARG 21 N -3.43 1.61 0.29 3.23 1.74 -0.54 -4.93 116.66 114.63 2jdd n ARG 21 Ca -0.39 -3.59 0.18 0.00 -0.77 0.00 0.00 57.85 53.28 2jdd n ARG 21 Cb 1.01 -1.58 0.81 0.00 -1.02 0.00 0.00 32.46 31.67 2jdd n ARG 21 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jdd h PRO 22 N 2.93 0.00 -0.71 5.56 0.13 -1.45 -2.95 132.00 135.51 2jdd h PRO 22 Ca 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.95 2jdd h PRO 22 Cb 1.04 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.05 2jdd h PRO 22 CO 0.58 0.03 0.25 0.09 -0.23 0.00 0.00 178.00 178.71 2jdd n ASN 23 N -3.16 4.74 -4.24 1.44 5.03 -1.26 -4.93 115.26 112.88 2jdd n ASN 23 Ca -0.01 -3.24 -0.14 0.00 0.87 0.00 0.00 54.58 52.07 2jdd n ASN 23 Cb 0.25 -0.74 -0.10 0.00 -1.02 0.00 0.00 39.78 38.17 2jdd n ASN 23 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jdd s GLN 24 N -3.00 1.04 0.78 3.52 -0.21 -1.12 -5.14 119.66 115.52 2jdd s GLN 24 Ca 0.55 -1.44 -0.13 0.00 0.02 0.00 0.00 55.36 54.35 2jdd s GLN 24 Cb 0.44 -0.56 0.07 0.00 1.00 0.00 0.00 33.01 33.95 2jdd s GLN 24 CO 0.13 0.05 1.16 -1.25 -2.12 0.00 0.00 175.29 173.26 2jdd s PRO 25 N -3.77 1.94 0.47 2.91 0.04 -1.26 -4.89 135.00 130.45 2jdd s PRO 25 Ca 0.17 1.56 0.16 0.00 0.04 0.00 0.00 61.00 62.92 2jdd s PRO 25 Cb 0.03 -1.83 1.13 0.00 0.04 0.00 0.00 34.50 33.87 2jdd s PRO 25 CO 0.00 -1.94 2.04 0.97 0.04 0.00 0.00 177.00 178.11 2jdd h ILE 26 N -0.80 0.92 -0.43 0.56 6.09 -1.98 -0.40 117.51 121.47 2jdd h ILE 26 Ca -0.46 -0.09 0.12 0.00 -1.37 0.00 0.00 64.86 63.07 2jdd h ILE 26 Cb 1.27 0.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 2jdd h ILE 26 CO 0.48 0.05 0.32 -0.33 -3.07 0.00 0.00 178.15 175.60 2jdd h GLU 27 N 0.25 0.00 0.00 2.19 3.07 -1.96 0.00 114.58 118.13 2jdd h GLU 27 Ca 0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2jdd h GLU 27 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2jdd h GLU 27 CO -0.04 0.00 -0.05 0.00 -1.40 0.00 0.00 179.01 177.52 2jdd h ALA 28 N 1.76 1.12 -0.01 3.43 0.00 -1.41 -1.94 119.26 122.22 2jdd h ALA 28 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jdd h ALA 28 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jdd h ALA 28 CO -0.00 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.15 2jdd s MET 30 N -2.43 4.06 0.17 0.00 1.00 -0.73 -4.82 119.30 116.55 2jdd s MET 30 Ca 0.28 -2.81 -0.31 0.00 0.00 0.00 0.00 55.69 52.85 2jdd s MET 30 Cb 0.20 -4.76 -0.09 0.00 0.00 0.00 0.00 34.83 30.18 2jdd s MET 30 CO 0.48 -1.48 1.40 -0.06 0.00 0.00 0.00 175.02 175.36 2jdd s PHE 31 N 0.19 3.19 0.51 -0.03 0.08 -1.26 -4.87 117.98 115.78 2jdd s PHE 31 Ca 0.34 1.00 0.15 0.00 0.12 0.00 0.00 56.93 58.54 2jdd s PHE 31 Cb -0.07 -3.72 1.21 0.00 -0.57 0.00 0.00 43.02 39.88 2jdd s PHE 31 CO -0.05 -2.42 2.12 0.93 -0.10 0.00 0.00 175.22 175.70 2jdd h GLU 32 N 6.08 0.02 0.00 0.44 5.08 -1.95 -0.24 114.58 124.01 2jdd h GLU 32 Ca -0.44 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2jdd h GLU 32 Cb 1.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jdd h GLU 32 CO 0.83 0.04 -0.01 0.66 -1.00 0.00 0.00 179.01 179.53 2jdd h SER 33 N 0.02 0.00 0.03 1.42 4.64 -1.99 -0.49 113.55 117.19 2jdd h SER 33 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdd h SER 33 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2jdd h SER 33 CO 0.00 0.01 -0.00 0.44 -0.87 0.00 0.00 176.83 176.41 2jdd h ASP 34 N 0.00 0.00 -0.68 4.97 3.32 -1.40 -2.15 116.42 120.48 2jdd h ASP 34 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jdd h ASP 34 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2jdd h ASP 34 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2jdd n LEU 35 N -3.34 4.13 -4.86 1.55 4.77 -0.19 -4.79 117.00 114.27 2jdd n LEU 35 Ca -0.03 -2.07 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 2jdd n LEU 35 Cb 0.08 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2jdd n LEU 35 CO 0.23 0.88 0.34 -0.76 -1.33 0.00 0.00 177.39 176.74 2jdd s LEU 36 N -1.33 4.11 0.11 2.23 1.43 -0.81 -4.99 118.68 119.44 2jdd s LEU 36 Ca 0.48 1.15 -0.35 0.00 -1.03 0.00 0.00 54.13 54.37 2jdd s LEU 36 Cb 0.28 -3.91 -0.15 0.00 0.03 0.00 0.00 46.19 42.43 2jdd s LEU 36 CO 0.29 -0.15 1.46 -1.14 0.23 0.00 0.00 176.35 177.04 2jdd n ARG 37 N -0.24 1.61 -0.95 1.70 0.63 -1.26 -2.23 116.66 115.92 2jdd n ARG 37 Ca 0.02 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 2jdd n ARG 37 Cb 0.53 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.16 2jdd n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jdd n GLY 38 N 2.95 0.74 3.66 5.14 0.00 -1.26 -4.28 105.19 112.15 2jdd n GLY 38 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2jdd n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdd n ALA 39 N 0.86 0.78 -2.40 4.61 0.00 -0.95 -4.77 120.51 118.63 2jdd n ALA 39 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 2jdd n ALA 39 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 2jdd n ALA 39 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jdd s PHE 40 N -1.07 0.39 0.01 0.00 -0.71 -0.20 -5.00 117.98 111.40 2jdd s PHE 40 Ca 0.57 -0.83 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 2jdd s PHE 40 Cb -0.62 -0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 40.98 2jdd s PHE 40 CO 0.61 -0.53 -0.04 -1.01 -1.34 0.00 0.00 175.22 172.91 2jdd s HIS 41 N -3.92 0.35 0.02 3.49 3.76 -1.26 -0.84 115.29 116.90 2jdd s HIS 41 Ca 0.10 -0.21 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 2jdd s HIS 41 Cb 0.06 -0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 2jdd s HIS 41 CO -0.07 -0.05 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.08 2jdd s LEU 42 N -0.56 2.12 0.02 0.89 1.43 -0.26 -1.96 118.68 120.36 2jdd s LEU 42 Ca -0.03 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 2jdd s LEU 42 Cb -0.04 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2jdd s LEU 42 CO -0.00 0.16 -0.25 -0.83 0.23 0.00 0.00 176.35 175.66 2jdd s GLY 43 N -0.92 1.39 -0.23 -3.19 0.00 0.08 -1.98 107.32 102.47 2jdd s GLY 43 Ca 0.06 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 2jdd s GLY 43 CO 0.01 -1.05 0.07 -0.32 0.00 0.00 0.00 173.10 171.82 2jdd s GLY 44 N -1.02 1.81 -0.06 0.20 0.00 0.51 -1.18 107.32 107.57 2jdd s GLY 44 Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2jdd s GLY 44 CO 0.01 0.40 -0.09 -0.19 0.00 0.00 0.00 173.10 173.24 2jdd s TYR 45 N 1.28 2.88 -0.14 1.90 1.51 0.13 -0.59 117.35 124.31 2jdd s TYR 45 Ca 0.05 -0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 56.00 2jdd s TYR 45 Cb -0.15 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.06 2jdd s TYR 45 CO 0.04 0.29 0.35 -0.47 -1.11 0.00 0.00 175.55 174.65 2jdd s TYR 46 N -0.78 -0.49 -1.37 2.71 6.14 -0.19 -1.70 117.35 121.66 2jdd s TYR 46 Ca 0.12 1.09 -0.02 0.00 0.64 0.00 0.00 57.07 58.89 2jdd s TYR 46 Cb -0.11 0.18 0.01 0.00 0.42 0.00 0.00 41.96 42.47 2jdd s TYR 46 CO 0.01 -0.29 0.20 0.41 0.64 0.00 0.00 175.55 176.53 2jdd n GLY 47 N 4.02 -0.50 1.27 8.97 0.00 -1.26 -1.90 105.19 115.78 2jdd n GLY 47 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jdd n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jdd n GLY 48 N -1.06 0.65 3.03 -0.02 0.00 -1.26 -5.06 105.19 101.47 2jdd n GLY 48 Ca -0.14 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 2jdd n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdd s LYS 49 N -0.77 0.70 -0.17 1.61 2.20 -0.80 -5.11 119.74 117.40 2jdd s LYS 49 Ca 0.00 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 2jdd s LYS 49 Cb 0.00 -0.67 -0.03 0.00 -1.51 0.00 0.00 37.83 35.62 2jdd s LYS 49 CO 0.00 0.18 1.48 -1.17 -0.36 0.00 0.00 175.35 175.48 2jdd s LEU 50 N -0.37 4.09 0.00 5.43 2.96 -1.26 -1.03 118.68 128.51 2jdd s LEU 50 Ca 0.02 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2jdd s LEU 50 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2jdd s LEU 50 CO -0.00 -1.00 0.27 2.30 -1.32 0.00 0.00 176.35 176.60 2jdd n ILE 51 N 5.83 0.00 -3.74 6.68 -6.64 0.24 -4.97 119.36 116.76 2jdd n ILE 51 Ca 0.16 -0.36 -0.13 0.00 -1.77 0.00 0.00 62.75 60.65 2jdd n ILE 51 Cb 0.45 1.22 -0.09 0.00 -1.44 0.00 0.00 39.64 39.77 2jdd n ILE 51 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jdd s SER 52 N -0.18 -0.33 0.04 7.28 0.15 -1.05 -0.65 113.70 118.96 2jdd s SER 52 Ca 0.00 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.17 2jdd s SER 52 Cb 0.00 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2jdd s SER 52 CO 0.00 -0.27 -0.05 0.27 1.20 0.00 0.00 173.24 174.38 2jdd s ILE 53 N -0.44 0.36 -0.27 6.45 -4.36 -0.05 -0.37 121.20 122.53 2jdd s ILE 53 Ca -0.06 -1.23 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 2jdd s ILE 53 Cb -0.04 -0.74 0.07 0.00 1.25 0.00 0.00 42.46 43.00 2jdd s ILE 53 CO 0.02 -0.57 0.70 0.00 0.24 0.00 0.00 174.94 175.33 2jdd s ALA 54 N -2.04 -1.75 -0.01 2.27 0.00 -0.84 -1.96 121.76 117.44 2jdd s ALA 54 Ca -0.07 2.06 0.05 0.00 0.00 0.00 0.00 51.96 54.00 2jdd s ALA 54 Cb -0.06 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2jdd s ALA 54 CO -0.02 -0.34 -0.17 -1.12 0.00 0.00 0.00 175.76 174.11 2jdd s SER 55 N 0.62 1.95 0.01 0.00 0.01 -0.49 -1.10 113.70 114.70 2jdd s SER 55 Ca -0.02 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.94 2jdd s SER 55 Cb -0.05 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2jdd s SER 55 CO -0.03 0.19 -0.08 -0.36 0.41 0.00 0.00 173.24 173.37 2jdd s PHE 56 N -0.44 0.73 0.08 2.43 0.40 -0.02 -0.62 117.98 120.54 2jdd s PHE 56 Ca 0.06 -0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 55.95 2jdd s PHE 56 Cb -0.07 -0.46 0.05 0.00 0.51 0.00 0.00 43.02 43.06 2jdd s PHE 56 CO -0.00 -0.02 0.49 -3.38 0.70 0.00 0.00 175.22 173.00 2jdd s HIS 57 N -0.53 -0.36 0.03 0.36 -3.43 -0.90 -1.04 115.29 109.41 2jdd s HIS 57 Ca -0.00 0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 54.23 2jdd s HIS 57 Cb -0.05 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 2jdd s HIS 57 CO 0.00 -0.68 1.30 -1.14 -2.00 0.00 0.00 174.74 172.22 2jdd s GLN 58 N -2.98 4.35 -0.30 -0.38 0.74 -1.26 -0.65 119.66 119.18 2jdd s GLN 58 Ca -0.02 1.86 -0.11 0.00 0.05 0.00 0.00 55.36 57.14 2jdd s GLN 58 Cb -0.00 -3.45 0.13 0.00 1.10 0.00 0.00 33.01 30.80 2jdd s GLN 58 CO -0.06 -0.43 0.70 0.00 -0.55 0.00 0.00 175.29 174.95 2jdd s ALA 59 N 1.73 -2.14 -0.30 1.58 0.00 -0.03 -4.86 121.76 117.75 2jdd s ALA 59 Ca 0.61 2.31 -0.16 0.00 0.00 0.00 0.00 51.96 54.72 2jdd s ALA 59 Cb -0.30 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 2jdd s ALA 59 CO 0.27 -0.93 0.42 -1.21 0.00 0.00 0.00 175.76 174.31 2jdd s GLU 60 N 2.83 3.87 -0.07 0.00 8.01 -1.26 -4.01 118.70 128.07 2jdd s GLU 60 Ca -0.06 -0.03 -0.29 0.00 0.01 0.00 0.00 54.97 54.61 2jdd s GLU 60 Cb -0.11 -3.71 -0.02 0.00 -4.31 0.00 0.00 34.13 25.98 2jdd s GLU 60 CO -0.19 -0.40 0.94 -1.58 0.01 0.00 0.00 175.26 174.04 2jdd s HIS 61 N 2.16 3.56 0.60 1.61 2.46 -1.26 -4.95 115.29 119.47 2jdd s HIS 61 Ca 0.16 1.55 0.30 0.00 0.47 0.00 0.00 55.06 57.55 2jdd s HIS 61 Cb -0.16 -3.10 1.74 0.00 -0.13 0.00 0.00 32.58 30.93 2jdd s HIS 61 CO 0.11 -0.12 2.13 0.66 -2.47 0.00 0.00 174.74 175.05 2jdd h SER 62 N 6.99 0.00 -0.59 9.88 4.64 -2.01 -2.44 113.55 130.03 2jdd h SER 62 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2jdd h SER 62 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jdd h SER 62 CO 0.81 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.15 2jdd n GLU 63 N -3.69 2.69 -4.54 4.77 1.02 -1.26 -4.89 120.64 114.73 2jdd n GLU 63 Ca 0.00 -2.45 -0.28 0.00 -0.02 0.00 0.00 57.16 54.42 2jdd n GLU 63 Cb 0.28 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 2jdd n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jdd s LEU 64 N -1.06 2.25 -0.17 -4.62 1.43 -0.92 -5.08 118.68 110.51 2jdd s LEU 64 Ca 0.41 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2jdd s LEU 64 Cb 0.22 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2jdd s LEU 64 CO 0.29 0.17 -0.01 -1.10 0.23 0.00 0.00 176.35 175.93 2jdd s GLN 65 N -1.66 3.73 0.00 1.70 -1.52 -1.26 -4.72 119.66 115.93 2jdd s GLN 65 Ca 0.11 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 2jdd s GLN 65 Cb -0.10 -3.01 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2jdd s GLN 65 CO 0.04 0.21 0.00 0.41 -0.25 0.00 0.00 175.29 175.69 2jdd n GLY 66 N 3.67 3.67 0.30 3.09 0.00 -1.26 -4.96 105.19 109.70 2jdd n GLY 66 Ca -0.17 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 2jdd n GLY 66 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jdd h GLN 67 N 0.00 1.00 -4.73 1.61 4.15 -1.96 -3.40 115.11 111.78 2jdd h GLN 67 Ca 0.00 -0.30 -0.62 0.00 0.77 0.00 0.00 58.65 58.50 2jdd h GLN 67 Cb 0.00 -0.10 -0.36 0.00 0.21 0.00 0.00 27.48 27.23 2jdd h GLN 67 CO 0.00 0.97 -0.83 0.21 -1.93 0.00 0.00 178.83 177.25 2jdd s LYS 68 N -5.04 2.38 0.08 1.69 2.20 -1.26 -4.99 119.74 114.80 2jdd s LYS 68 Ca -0.11 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.87 2jdd s LYS 68 Cb 0.14 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 2jdd s LYS 68 CO 0.84 -0.28 -0.16 -0.65 -0.36 0.00 0.00 175.35 174.75 2jdd s GLN 69 N 1.42 0.91 0.05 4.03 -0.21 -1.26 0.09 119.66 124.68 2jdd s GLN 69 Ca 0.03 -1.03 0.08 0.00 0.02 0.00 0.00 55.36 54.47 2jdd s GLN 69 Cb -0.14 -0.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.88 2jdd s GLN 69 CO -0.11 0.22 -0.22 0.71 -2.12 0.00 0.00 175.29 173.77 2jdd s TYR 70 N -1.31 1.92 -0.13 0.91 1.51 -0.56 -0.85 117.35 118.84 2jdd s TYR 70 Ca 0.01 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 2jdd s TYR 70 Cb -0.10 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2jdd s TYR 70 CO 0.03 0.10 0.04 -1.14 -1.11 0.00 0.00 175.55 173.47 2jdd s GLN 71 N -1.22 3.47 -0.10 -0.62 0.74 0.18 -0.91 119.66 121.19 2jdd s GLN 71 Ca 0.08 -0.36 -0.21 0.00 0.05 0.00 0.00 55.36 54.93 2jdd s GLN 71 Cb -0.09 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 2jdd s GLN 71 CO 0.02 0.51 0.59 -1.17 -0.55 0.00 0.00 175.29 174.69 2jdd s LEU 72 N -0.33 4.28 0.13 3.68 2.96 -0.00 -2.13 118.68 127.27 2jdd s LEU 72 Ca 0.08 0.98 0.06 0.00 -0.22 0.00 0.00 54.13 55.03 2jdd s LEU 72 Cb -0.12 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2jdd s LEU 72 CO 0.02 -0.08 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.71 2jdd s ARG 73 N 0.82 1.05 -1.15 1.98 0.52 0.21 -4.59 118.95 117.79 2jdd s ARG 73 Ca 0.31 -1.31 -0.06 0.00 -0.52 0.00 0.00 55.73 54.15 2jdd s ARG 73 Cb -0.16 -0.85 0.01 0.00 0.52 0.00 0.00 34.95 34.46 2jdd s ARG 73 CO 0.14 0.15 0.83 0.41 0.02 0.00 0.00 175.30 176.85 2jdd n GLY 74 N 0.30 -0.28 3.64 -3.53 0.00 -1.26 -1.40 105.19 102.66 2jdd n GLY 74 Ca -0.14 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2jdd n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jdd s MET 75 N -5.90 4.13 -0.21 1.61 0.00 -1.26 -3.79 119.30 113.88 2jdd s MET 75 Ca 0.41 1.11 -0.24 0.00 0.00 0.00 0.00 55.69 56.97 2jdd s MET 75 Cb -0.18 -3.70 0.06 0.00 0.00 0.00 0.00 34.83 31.02 2jdd s MET 75 CO 0.51 -0.76 0.65 0.00 0.00 0.00 0.00 175.02 175.42 2jdd s ALA 76 N 3.37 -1.63 -0.03 4.11 0.00 -0.83 -5.01 121.76 121.75 2jdd s ALA 76 Ca 0.43 1.73 0.04 0.00 0.00 0.00 0.00 51.96 54.17 2jdd s ALA 76 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2jdd s ALA 76 CO 0.11 -0.32 -0.16 0.99 0.00 0.00 0.00 175.76 176.39 2jdd s THR 77 N 0.07 1.30 0.28 0.00 2.01 -1.26 -0.87 115.64 117.16 2jdd s THR 77 Ca -0.02 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 2jdd s THR 77 Cb -0.04 -1.11 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 2jdd s THR 77 CO 0.02 0.37 1.32 -0.22 -0.69 0.00 0.00 174.62 175.42 2jdd s LEU 78 N -0.10 4.43 0.27 4.42 2.96 0.18 -4.82 118.68 126.02 2jdd s LEU 78 Ca 0.00 2.58 -0.30 0.00 -0.22 0.00 0.00 54.13 56.19 2jdd s LEU 78 Cb -0.09 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 2jdd s LEU 78 CO 0.01 -0.53 1.25 -0.62 -1.32 0.00 0.00 176.35 175.14 2jdd n GLU 79 N 1.58 1.81 0.00 1.98 1.02 -1.26 -1.19 120.64 124.58 2jdd n GLU 79 Ca 0.03 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2jdd n GLU 79 Cb 0.42 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2jdd n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jdd n GLY 80 N 1.52 3.08 0.00 0.62 0.00 -1.26 -4.83 105.19 104.32 2jdd n GLY 80 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jdd n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jdd n TYR 81 N -0.85 0.00 -1.47 1.61 4.01 -0.33 -5.04 117.16 115.08 2jdd n TYR 81 Ca 0.00 -0.31 -0.30 0.00 -0.16 0.00 0.00 57.90 57.12 2jdd n TYR 81 Cb 0.00 -0.03 0.09 0.00 -0.31 0.00 0.00 39.34 39.09 2jdd n TYR 81 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jdd s ARG 82 N -0.63 2.21 -1.24 -0.72 0.52 -1.19 -4.08 118.95 113.81 2jdd s ARG 82 Ca 0.00 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 2jdd s ARG 82 Cb 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2jdd s ARG 82 CO 0.00 -1.58 0.00 0.39 0.02 0.00 0.00 175.30 174.13 2jdd n GLU 83 N -3.43 -0.95 -0.05 3.54 -0.58 -1.26 -4.88 120.64 113.03 2jdd n GLU 83 Ca 0.07 0.81 0.02 0.00 -0.42 0.00 0.00 57.16 57.64 2jdd n GLU 83 Cb 0.55 -4.92 0.05 0.00 -0.57 0.00 0.00 31.44 26.54 2jdd n GLU 83 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jdd n GLN 84 N -2.46 2.92 -1.32 3.49 1.13 -1.26 -4.98 117.38 114.91 2jdd n GLN 84 Ca -0.14 -1.69 -0.11 0.00 -1.94 0.00 0.00 57.00 53.12 2jdd n GLN 84 Cb 0.51 -1.09 -0.05 0.00 0.11 0.00 0.00 30.24 29.72 2jdd n GLN 84 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2jdd n LYS 85 N -0.25 -0.82 0.26 -1.09 4.76 -1.26 -4.84 118.16 114.92 2jdd n LYS 85 Ca 0.04 0.88 -0.16 0.00 -2.87 0.00 0.00 58.31 56.19 2jdd n LYS 85 Cb 0.31 -4.86 -0.08 0.00 -1.84 0.00 0.00 35.03 28.56 2jdd n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jdd h ALA 86 N 0.00 -0.63 -0.44 7.82 0.00 -1.94 -0.47 119.26 123.59 2jdd h ALA 86 Ca -0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jdd h ALA 86 Cb 0.74 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2jdd h ALA 86 CO 0.33 -0.82 0.26 0.78 0.00 0.00 0.00 179.25 179.80 2jdd h GLY 87 N -0.71 0.65 0.87 0.00 0.00 -1.93 -2.02 103.07 99.94 2jdd h GLY 87 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.03 2jdd h GLY 87 CO 0.11 0.27 0.63 1.76 0.00 0.00 0.00 176.54 179.30 2jdd h SER 88 N 0.59 1.02 -0.56 0.19 0.02 -1.96 -1.53 113.55 111.32 2jdd h SER 88 Ca 0.16 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2jdd h SER 88 Cb 0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2jdd h SER 88 CO -0.03 0.68 0.01 0.28 -1.14 0.00 0.00 176.83 176.64 2jdd h SER 89 N 1.18 0.99 -0.45 3.07 0.02 -0.59 0.04 113.55 117.80 2jdd h SER 89 Ca 0.40 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2jdd h SER 89 Cb 0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2jdd h SER 89 CO -0.14 1.03 0.18 -0.07 -1.14 0.00 0.00 176.83 176.70 2jdd h LEU 90 N 0.93 0.62 -0.45 5.07 3.38 -0.70 -1.63 115.31 122.53 2jdd h LEU 90 Ca 0.17 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jdd h LEU 90 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jdd h LEU 90 CO 0.03 0.62 -0.01 0.40 0.09 0.00 0.00 178.44 179.57 2jdd h ILE 91 N 0.59 1.26 -0.58 1.22 1.08 -0.99 -0.59 117.51 119.50 2jdd h ILE 91 Ca 0.15 -1.05 -0.05 0.00 -0.39 0.00 0.00 64.86 63.51 2jdd h ILE 91 Cb 0.19 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 2jdd h ILE 91 CO -0.01 0.36 0.16 0.11 -0.69 0.00 0.00 178.15 178.08 2jdd h LYS 92 N 0.64 0.92 -0.60 2.37 1.57 -0.94 0.06 116.57 120.59 2jdd h LYS 92 Ca 0.13 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2jdd h LYS 92 Cb 0.50 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2jdd h LYS 92 CO 0.02 0.84 0.29 1.25 -0.57 0.00 0.00 179.45 181.28 2jdd h HIS 93 N 0.83 0.87 -0.87 -1.35 2.76 -1.19 -2.46 115.15 113.75 2jdd h HIS 93 Ca 0.19 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2jdd h HIS 93 Cb 0.32 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 2jdd h HIS 93 CO 0.02 0.67 0.48 0.00 -1.30 0.00 0.00 177.93 177.80 2jdd h ALA 94 N 1.12 1.11 -0.66 5.26 0.00 -0.76 -2.35 119.26 122.98 2jdd h ALA 94 Ca 0.21 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jdd h ALA 94 Cb 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2jdd h ALA 94 CO -0.03 0.62 0.44 0.93 0.00 0.00 0.00 179.25 181.21 2jdd h GLU 95 N 1.21 0.76 -0.38 0.00 5.08 -0.58 0.14 114.58 120.81 2jdd h GLU 95 Ca 0.31 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2jdd h GLU 95 Cb 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2jdd h GLU 95 CO -0.05 0.50 0.09 0.93 -1.00 0.00 0.00 179.01 179.49 2jdd h GLU 96 N 0.78 0.61 -0.54 2.33 5.08 -0.99 0.11 114.58 121.96 2jdd h GLU 96 Ca 0.27 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2jdd h GLU 96 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2jdd h GLU 96 CO -0.08 0.64 0.26 0.82 -1.00 0.00 0.00 179.01 179.66 2jdd h ILE 97 N 0.47 1.20 -0.36 3.13 2.04 -1.05 -1.34 117.51 121.61 2jdd h ILE 97 Ca 0.12 -0.58 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 2jdd h ILE 97 Cb 0.31 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jdd h ILE 97 CO 0.00 0.23 -0.32 -0.07 0.00 0.00 0.00 178.15 177.99 2jdd h LEU 98 N 0.73 0.90 -0.73 1.44 3.38 -0.57 -1.80 115.31 118.66 2jdd h LEU 98 Ca 0.19 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2jdd h LEU 98 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2jdd h LEU 98 CO -0.02 1.17 0.37 0.03 0.09 0.00 0.00 178.44 180.07 2jdd h ARG 99 N 0.64 1.04 -0.45 1.13 3.08 -0.66 -1.21 114.38 117.95 2jdd h ARG 99 Ca 0.06 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2jdd h ARG 99 Cb 0.90 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2jdd h ARG 99 CO 0.08 0.80 0.08 -0.22 -1.07 0.00 0.00 179.97 179.65 2jdd h LYS 100 N 1.02 0.68 0.00 0.04 3.64 -1.06 -1.61 116.57 119.28 2jdd h LYS 100 Ca 0.25 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2jdd h LYS 100 Cb 0.09 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2jdd h LYS 100 CO -0.04 0.64 0.00 0.54 -2.27 0.00 0.00 179.45 178.32 2jdd n ARG 101 N -4.29 0.66 -1.55 1.90 1.74 -0.69 -4.91 116.66 109.52 2jdd n ARG 101 Ca 0.03 0.02 -0.07 0.00 -0.77 0.00 0.00 57.85 57.06 2jdd n ARG 101 Cb 0.22 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 2jdd n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jdd n GLY 102 N 0.73 0.59 3.77 -0.13 0.00 -0.61 -5.02 105.19 104.53 2jdd n GLY 102 Ca 0.17 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2jdd n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdd s ALA 103 N -2.28 2.98 -0.12 4.61 0.00 -0.53 -4.73 121.76 121.70 2jdd s ALA 103 Ca 0.00 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.04 2jdd s ALA 103 Cb 0.00 -3.36 -0.27 0.00 0.00 0.00 0.00 23.12 19.49 2jdd s ALA 103 CO 0.00 -0.58 0.38 -0.25 0.00 0.00 0.00 175.76 175.31 2jdd n ASP 104 N -0.45 0.14 -3.49 0.00 8.00 0.11 -4.63 116.55 116.23 2jdd n ASP 104 Ca 0.07 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 2jdd n ASP 104 Cb 0.48 1.31 -0.04 0.00 -0.02 0.00 0.00 41.12 42.86 2jdd n ASP 104 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jdd s LEU 105 N -5.10 -0.53 -0.11 0.64 0.05 -1.21 -1.49 118.68 110.93 2jdd s LEU 105 Ca -0.08 0.28 0.03 0.00 0.05 0.00 0.00 54.13 54.42 2jdd s LEU 105 Cb 0.10 2.36 0.00 0.00 -2.05 0.00 0.00 46.19 46.60 2jdd s LEU 105 CO 0.86 -0.70 -0.23 -0.22 -0.55 0.00 0.00 176.35 175.51 2jdd s LEU 106 N -1.97 2.13 0.17 1.48 2.96 -0.36 -1.49 118.68 121.59 2jdd s LEU 106 Ca -0.02 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2jdd s LEU 106 Cb -0.01 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 2jdd s LEU 106 CO -0.03 0.14 -0.07 -1.66 -1.32 0.00 0.00 176.35 173.41 2jdd s TRP 107 N 0.45 1.36 -0.05 5.38 1.48 -0.09 -0.30 118.94 127.18 2jdd s TRP 107 Ca -0.16 -0.80 -0.22 0.00 -1.06 0.00 0.00 56.10 53.86 2jdd s TRP 107 Cb -0.17 -0.72 0.05 0.00 -1.16 0.00 0.00 33.47 31.46 2jdd s TRP 107 CO 0.06 0.05 0.48 0.00 -4.06 0.00 0.00 176.95 173.49 2jdd s ASN 109 N -1.12 6.61 0.20 0.00 0.01 -1.26 -1.08 114.94 118.30 2jdd s ASN 109 Ca -0.11 -1.90 -0.30 0.00 -0.71 0.00 0.00 52.86 49.84 2jdd s ASN 109 Cb -0.03 -2.47 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 2jdd s ASN 109 CO 0.06 -1.21 1.16 0.00 -1.51 0.00 0.00 177.10 175.60 2jdd s ALA 110 N 3.51 3.42 0.24 0.60 0.00 -0.15 -4.76 121.76 124.62 2jdd s ALA 110 Ca 0.39 0.91 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 2jdd s ALA 110 Cb -0.03 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 2jdd s ALA 110 CO -0.09 -0.30 1.53 0.54 0.00 0.00 0.00 175.76 177.45 2jdd n ARG 111 N 2.22 2.37 0.23 0.00 1.74 -1.26 -0.31 116.66 121.64 2jdd n ARG 111 Ca 0.03 0.85 0.06 0.00 -0.77 0.00 0.00 57.85 58.02 2jdd n ARG 111 Cb 0.45 -2.58 0.56 0.00 -1.02 0.00 0.00 32.46 29.87 2jdd n ARG 111 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2jdd h THR 112 N 3.32 1.07 0.00 0.55 1.35 -1.69 -0.34 112.91 117.16 2jdd h THR 112 Ca -0.45 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2jdd h THR 112 Cb 1.25 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2jdd h THR 112 CO 0.81 0.09 0.00 0.77 -0.25 0.00 0.00 175.52 176.94 2jdd h SER 113 N 0.04 0.00 -0.28 5.36 4.64 -1.90 -1.51 113.55 119.90 2jdd h SER 113 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jdd h SER 113 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2jdd h SER 113 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2jdd n ALA 114 N -1.98 2.33 -0.27 5.18 0.00 -0.15 -4.70 120.51 120.92 2jdd n ALA 114 Ca -0.02 -0.96 0.07 0.00 0.00 0.00 0.00 53.44 52.53 2jdd n ALA 114 Cb 0.08 -0.53 0.30 0.00 0.00 0.00 0.00 19.45 19.30 2jdd n ALA 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jdd h SER 115 N 2.70 0.78 0.42 0.00 4.64 -1.12 -1.40 113.55 119.57 2jdd h SER 115 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2jdd h SER 115 Cb 0.72 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2jdd h SER 115 CO 0.00 0.47 -0.28 1.23 -0.87 0.00 0.00 176.83 177.38 2jdd h GLY 116 N 0.87 0.00 0.72 -0.77 0.00 -1.84 -0.08 103.07 101.97 2jdd h GLY 116 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 2jdd h GLY 116 CO -0.16 0.00 -0.00 -1.82 0.00 0.00 0.00 176.54 174.56 2jdd h TYR 117 N 0.00 -0.01 -0.61 5.60 3.20 -1.60 -1.75 116.97 121.80 2jdd h TYR 117 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2jdd h TYR 117 Cb 0.56 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2jdd h TYR 117 CO 0.00 0.27 0.13 1.88 -1.64 0.00 0.00 178.16 178.80 2jdd h TYR 118 N -0.29 1.00 -0.67 -3.82 0.05 -1.31 -2.47 116.97 109.46 2jdd h TYR 118 Ca -0.00 -0.11 0.06 0.00 0.05 0.00 0.00 58.73 58.72 2jdd h TYR 118 Cb 0.28 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 2jdd h TYR 118 CO 0.02 0.83 0.38 -0.22 -1.05 0.00 0.00 178.16 178.12 2jdd h LYS 119 N 0.92 0.68 0.00 4.88 3.64 -0.97 -0.73 116.57 124.99 2jdd h LYS 119 Ca 0.19 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2jdd h LYS 119 Cb 0.35 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jdd h LYS 119 CO 0.00 0.45 -0.14 0.87 -2.27 0.00 0.00 179.45 178.36 2jdd h LYS 120 N 0.70 0.00 -0.18 1.90 1.79 -0.88 -0.60 116.57 119.30 2jdd h LYS 120 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2jdd h LYS 120 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2jdd h LYS 120 CO -0.17 0.14 0.00 1.28 -1.08 0.00 0.00 179.45 179.62 2jdd n LEU 121 N -4.33 1.16 0.00 2.94 4.77 -0.67 -4.92 117.00 115.95 2jdd n LEU 121 Ca -0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2jdd n LEU 121 Cb 0.21 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2jdd n LEU 121 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2jdd n GLY 122 N 0.92 0.60 3.82 -0.72 0.00 -0.23 -5.05 105.19 104.53 2jdd n GLY 122 Ca 0.11 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2jdd n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jdd s PHE 123 N -2.00 3.41 0.17 1.61 0.40 -0.37 -4.75 117.98 116.45 2jdd s PHE 123 Ca 0.00 1.56 0.07 0.00 -0.60 0.00 0.00 56.93 57.96 2jdd s PHE 123 Cb 0.00 -2.80 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2jdd s PHE 123 CO 0.00 0.00 0.04 -1.12 0.70 0.00 0.00 175.22 174.85 2jdd s SER 124 N -2.07 5.01 0.24 1.36 0.01 0.23 -4.19 113.70 114.30 2jdd s SER 124 Ca 0.58 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.37 2jdd s SER 124 Cb -0.11 -1.15 -0.08 0.00 0.21 0.00 0.00 66.02 64.88 2jdd s SER 124 CO 0.16 0.08 0.66 -1.61 0.41 0.00 0.00 173.24 172.95 2jdd s GLU 125 N -3.00 4.04 -0.01 12.44 2.02 -1.26 -1.21 118.70 131.72 2jdd s GLU 125 Ca 0.29 0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.94 2jdd s GLU 125 Cb -0.10 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 2jdd s GLU 125 CO 0.20 0.32 -0.10 -1.14 0.02 0.00 0.00 175.26 174.56 2jdd s GLN 126 N -2.45 0.83 2.75 1.61 0.74 -0.15 -4.95 119.66 118.04 2jdd s GLN 126 Ca 0.46 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.52 2jdd s GLN 126 Cb -0.13 -0.80 0.00 0.00 1.10 0.00 0.00 33.01 33.17 2jdd s GLN 126 CO 0.19 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 2jdd n GLY 127 N 2.87 -0.46 3.71 2.59 0.00 -1.26 -3.95 105.19 108.68 2jdd n GLY 127 Ca -0.14 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 2jdd n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdd s GLU 128 N 0.00 2.55 0.35 1.61 0.41 -1.26 -4.96 118.70 117.40 2jdd s GLU 128 Ca 0.00 -1.17 -0.28 0.00 -0.41 0.00 0.00 54.97 53.10 2jdd s GLU 128 Cb 0.00 -2.37 -0.11 0.00 -1.78 0.00 0.00 34.13 29.87 2jdd s GLU 128 CO 0.00 0.41 1.47 0.08 -0.49 0.00 0.00 175.26 176.73 2jdd s VAL 129 N -2.04 2.19 0.04 2.63 1.01 -1.26 -4.64 120.40 118.33 2jdd s VAL 129 Ca 0.31 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2jdd s VAL 129 Cb -0.08 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2jdd s VAL 129 CO 0.21 0.04 -0.07 0.72 0.00 0.00 0.00 175.10 176.00 2jdd s PHE 130 N -0.94 0.62 -0.11 5.22 -0.71 -0.20 -4.97 117.98 116.90 2jdd s PHE 130 Ca 0.54 -0.55 -0.09 0.00 -1.04 0.00 0.00 56.93 55.79 2jdd s PHE 130 Cb -0.45 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 2jdd s PHE 130 CO 0.59 -0.11 0.19 -0.51 -1.34 0.00 0.00 175.22 174.04 2jdd s ASP 131 N -1.70 6.44 -0.37 1.98 -0.00 -1.26 0.72 116.67 122.47 2jdd s ASP 131 Ca -0.09 0.52 0.01 0.00 -0.00 0.00 0.00 52.55 53.00 2jdd s ASP 131 Cb -0.08 -2.11 0.11 0.00 -0.00 0.00 0.00 42.92 40.84 2jdd s ASP 131 CO -0.00 0.35 0.15 0.42 -0.00 0.00 0.00 175.17 176.08 2jdd s THR 132 N -0.76 1.37 0.63 -1.27 -4.23 0.04 -4.94 115.64 106.49 2jdd s THR 132 Ca 0.16 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.41 2jdd s THR 132 Cb -0.13 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 2jdd s THR 132 CO 0.05 -0.75 1.25 -2.84 -0.54 0.00 0.00 174.62 171.79 2jdd s PRO 133 N 0.94 2.67 0.00 3.99 0.02 -1.26 -1.18 135.00 140.19 2jdd s PRO 133 Ca 0.13 1.94 0.11 0.00 0.02 0.00 0.00 61.00 63.21 2jdd s PRO 133 Cb -0.21 -1.88 0.34 0.00 0.02 0.00 0.00 34.50 32.78 2jdd s PRO 133 CO -0.12 -1.47 1.27 -0.35 -0.33 0.00 0.00 177.00 176.01 2jdd n PRO 134 N -1.86 1.71 -0.58 5.54 -0.04 -1.26 -4.84 135.00 133.67 2jdd n PRO 134 Ca 0.15 -1.10 0.08 0.00 -0.04 0.00 0.00 63.50 62.59 2jdd n PRO 134 Cb 0.49 -1.26 0.32 0.00 -0.04 0.00 0.00 33.50 33.01 2jdd n PRO 134 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jdd n VAL 135 N 0.38 2.08 -3.35 0.52 0.24 -0.32 -5.07 118.33 112.81 2jdd n VAL 135 Ca 0.11 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 2jdd n VAL 135 Cb 0.27 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 2jdd n VAL 135 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jdd n GLY 136 N 0.46 -1.79 3.74 7.63 0.00 -0.46 -4.85 105.19 109.92 2jdd n GLY 136 Ca 0.23 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2jdd n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jdd s PRO 137 N 0.00 4.38 0.16 1.61 0.04 -1.26 -0.78 135.00 139.15 2jdd s PRO 137 Ca 0.00 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2jdd s PRO 137 Cb 0.00 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2jdd s PRO 137 CO 0.00 -0.25 -0.10 -1.01 0.04 0.00 0.00 177.00 175.68 2jdd s HIS 138 N -0.15 1.35 -0.06 0.56 3.76 0.22 -1.85 115.29 119.12 2jdd s HIS 138 Ca 0.55 -0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 54.69 2jdd s HIS 138 Cb -0.38 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 32.66 2jdd s HIS 138 CO 0.41 0.12 0.14 -1.50 -0.85 0.00 0.00 174.74 173.05 2jdd s ILE 139 N -3.28 -0.04 0.10 0.60 1.10 0.58 -1.03 121.20 119.23 2jdd s ILE 139 Ca 0.18 0.14 -0.31 0.00 -0.51 0.00 0.00 60.65 60.16 2jdd s ILE 139 Cb 0.02 -0.22 -0.09 0.00 0.15 0.00 0.00 42.46 42.32 2jdd s ILE 139 CO 0.02 0.06 1.63 -0.22 -2.11 0.00 0.00 174.94 174.32 2jdd s LEU 140 N 0.94 4.37 0.08 8.50 2.96 -1.25 -0.97 118.68 133.30 2jdd s LEU 140 Ca -0.07 2.54 0.05 0.00 -0.22 0.00 0.00 54.13 56.43 2jdd s LEU 140 Cb -0.09 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 2jdd s LEU 140 CO -0.05 -0.87 -0.15 -0.04 -1.32 0.00 0.00 176.35 173.93 2jdd s MET 141 N 2.13 0.86 0.06 1.98 -1.94 -0.24 -0.98 119.30 121.16 2jdd s MET 141 Ca 0.73 -1.00 -0.12 0.00 -1.71 0.00 0.00 55.69 53.59 2jdd s MET 141 Cb -0.41 -0.87 0.01 0.00 2.01 0.00 0.00 34.83 35.57 2jdd s MET 141 CO 0.32 0.19 0.27 1.52 -0.01 0.00 0.00 175.02 177.31 2jdd s TYR 142 N -1.37 -0.03 -0.06 -0.03 1.13 -0.35 -0.70 117.35 115.93 2jdd s TYR 142 Ca -0.00 -0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.46 2jdd s TYR 142 Cb -0.09 0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.84 2jdd s TYR 142 CO 0.02 -0.52 -0.04 0.21 -2.51 0.00 0.00 175.55 172.72 2jdd s LYS 143 N -2.95 0.93 0.07 -3.49 2.20 0.60 -0.60 119.74 116.49 2jdd s LYS 143 Ca -0.02 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.21 2jdd s LYS 143 Cb 0.01 -1.02 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 2jdd s LYS 143 CO -0.06 -0.16 0.92 0.50 -0.36 0.00 0.00 175.35 176.19 2jdd s ARG 144 N 1.32 4.63 -0.05 4.03 3.52 -1.26 -1.22 118.95 129.91 2jdd s ARG 144 Ca -0.04 1.36 0.08 0.00 -0.13 0.00 0.00 55.73 57.00 2jdd s ARG 144 Cb -0.14 -3.39 0.12 0.00 -1.56 0.00 0.00 34.95 29.98 2jdd s ARG 144 CO -0.02 0.17 1.05 0.44 -0.81 0.00 0.00 175.30 176.13 2jdd n ILE 145 N 3.02 1.33 1.69 4.11 -5.35 -0.56 -4.98 119.36 118.63 2jdd n ILE 145 Ca 0.02 -1.49 0.15 0.00 -0.27 0.00 0.00 62.75 61.16 2jdd n ILE 145 Cb 0.50 0.20 0.69 0.00 -1.74 0.00 0.00 39.64 39.29 2jdd n ILE 145 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14