#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jdc s GLU 3 N 0.00 3.37 -0.15 0.38 2.02 -0.60 -4.93 118.70 118.80 2jdc s GLU 3 Ca 0.00 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 2jdc s GLU 3 Cb 0.00 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 2jdc s GLU 3 CO 0.00 -0.06 0.44 0.08 0.02 0.00 0.00 175.26 175.74 2jdc s VAL 4 N 1.10 5.20 0.04 2.63 1.01 -1.26 -0.60 120.40 128.51 2jdc s VAL 4 Ca 0.01 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2jdc s VAL 4 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2jdc s VAL 4 CO -0.01 0.30 -0.06 -0.54 0.00 0.00 0.00 175.10 174.79 2jdc s LYS 5 N 0.85 0.50 0.49 2.72 1.02 -0.36 -4.99 119.74 119.97 2jdc s LYS 5 Ca 0.23 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 55.18 2jdc s LYS 5 Cb -0.15 -0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.00 2jdc s LYS 5 CO 0.09 -0.01 1.24 -1.25 -0.92 0.00 0.00 175.35 174.50 2jdc s PRO 6 N -2.03 3.54 0.21 -1.68 0.04 -1.26 -0.79 135.00 133.03 2jdc s PRO 6 Ca -0.08 1.96 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2jdc s PRO 6 Cb -0.06 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2jdc s PRO 6 CO -0.02 -0.78 0.04 0.96 0.04 0.00 0.00 177.00 177.24 2jdc s ILE 7 N -1.44 0.64 0.32 0.56 -4.36 -0.88 -4.73 121.20 111.31 2jdc s ILE 7 Ca 0.66 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2jdc s ILE 7 Cb -0.33 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 2jdc s ILE 7 CO 0.40 -0.26 0.51 0.20 0.24 0.00 0.00 174.94 176.03 2jdc s ASN 8 N -3.24 6.31 0.22 4.36 0.01 -1.26 -4.11 114.94 117.23 2jdc s ASN 8 Ca 0.30 0.38 -0.08 0.00 -0.71 0.00 0.00 52.86 52.76 2jdc s ASN 8 Cb 0.07 -2.00 0.35 0.00 0.41 0.00 0.00 41.25 40.07 2jdc s ASN 8 CO 0.08 -0.24 1.73 0.00 -1.51 0.00 0.00 177.10 177.16 2jdc h ALA 9 N 0.91 0.86 0.00 0.60 0.00 -1.96 0.05 119.26 119.73 2jdc h ALA 9 Ca -0.50 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jdc h ALA 9 Cb 1.22 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jdc h ALA 9 CO 0.62 -0.23 -0.02 0.93 0.00 0.00 0.00 179.25 180.55 2jdc h GLU 10 N 0.38 0.00 0.00 0.00 3.07 -2.00 -1.32 114.58 114.72 2jdc h GLU 10 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2jdc h GLU 10 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2jdc h GLU 10 CO -0.37 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.02 2jdc n ASP 11 N -3.80 0.55 0.08 1.42 8.00 0.00 -3.12 116.55 119.69 2jdc n ASP 11 Ca -0.03 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.19 2jdc n ASP 11 Cb 0.11 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 40.59 2jdc n ASP 11 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2jdc h THR 12 N 0.00 0.00 -0.75 -3.53 1.35 -1.26 -3.41 112.91 105.30 2jdc h THR 12 Ca 0.00 -0.67 -0.05 0.00 -0.55 0.00 0.00 66.41 65.14 2jdc h THR 12 Cb 0.47 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 2jdc h THR 12 CO 0.00 0.00 0.27 1.88 -0.25 0.00 0.00 175.52 177.42 2jdc h TYR 13 N 0.00 1.17 -0.16 4.73 0.05 -1.65 -0.86 116.97 120.25 2jdc h TYR 13 Ca 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 2jdc h TYR 13 Cb 0.84 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2jdc h TYR 13 CO 0.00 0.90 0.07 1.49 -1.05 0.00 0.00 178.16 179.58 2jdc h GLU 14 N 1.11 0.23 -0.07 4.88 4.81 -1.82 0.43 114.58 124.14 2jdc h GLU 14 Ca 0.25 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 2jdc h GLU 14 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2jdc h GLU 14 CO -0.02 0.28 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.76 2jdc h LEU 15 N 0.12 0.44 -0.71 1.64 3.38 -1.82 0.13 115.31 118.48 2jdc h LEU 15 Ca 0.05 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2jdc h LEU 15 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2jdc h LEU 15 CO -0.01 1.01 0.46 0.03 0.09 0.00 0.00 178.44 180.02 2jdc h ARG 16 N 0.25 0.88 -0.13 1.13 3.08 -0.96 -0.64 114.38 118.00 2jdc h ARG 16 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2jdc h ARG 16 Cb 1.28 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2jdc h ARG 16 CO 0.12 0.59 -0.16 1.25 -1.07 0.00 0.00 179.97 180.69 2jdc h HIS 17 N 0.91 0.42 -0.72 3.04 2.76 -0.65 0.35 115.15 121.26 2jdc h HIS 17 Ca 0.28 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 2jdc h HIS 17 Cb -0.03 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 2jdc h HIS 17 CO -0.03 0.77 0.25 0.00 -1.30 0.00 0.00 177.93 177.61 2jdc h ARG 18 N -0.04 1.10 0.01 5.26 3.08 -0.63 -0.22 114.38 122.93 2jdc h ARG 18 Ca 0.02 -0.22 -0.42 0.00 0.07 0.00 0.00 59.98 59.43 2jdc h ARG 18 Cb 0.71 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 2jdc h ARG 18 CO 0.04 0.93 -2.37 -0.89 -1.07 0.00 0.00 179.97 176.61 2jdc n ILE 19 N -4.31 1.53 -0.06 2.04 5.41 -0.26 -4.54 119.36 119.17 2jdc n ILE 19 Ca 0.06 -0.42 -0.22 0.00 1.00 0.00 0.00 62.75 63.17 2jdc n ILE 19 Cb 0.21 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.26 2jdc n ILE 19 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jdc n LEU 20 N -3.93 2.42 -2.79 1.39 4.77 -0.00 -4.73 117.00 114.13 2jdc n LEU 20 Ca -0.49 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 55.55 2jdc n LEU 20 Cb 0.91 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2jdc n LEU 20 CO 0.14 0.69 -0.06 0.54 -1.33 0.00 0.00 177.39 177.37 2jdc n ARG 21 N -3.77 1.79 0.27 3.23 1.74 -0.51 -4.92 116.66 114.48 2jdc n ARG 21 Ca -0.36 -3.71 0.18 0.00 -0.77 0.00 0.00 57.85 53.18 2jdc n ARG 21 Cb 0.93 -1.67 0.78 0.00 -1.02 0.00 0.00 32.46 31.48 2jdc n ARG 21 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jdc h PRO 22 N 2.91 0.00 -0.70 5.56 0.13 -1.27 -2.94 132.00 135.69 2jdc h PRO 22 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2jdc h PRO 22 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2jdc h PRO 22 CO 0.61 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.47 2jdc n ASN 23 N -2.93 4.35 -4.57 1.44 5.03 -1.26 -4.91 115.26 112.40 2jdc n ASN 23 Ca -0.00 -2.20 -0.25 0.00 0.87 0.00 0.00 54.58 53.00 2jdc n ASN 23 Cb 0.23 -0.53 -0.09 0.00 -1.02 0.00 0.00 39.78 38.36 2jdc n ASN 23 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jdc s GLN 24 N -1.38 1.94 0.81 3.52 -0.21 -1.11 -5.13 119.66 118.10 2jdc s GLN 24 Ca 0.50 -1.77 -0.13 0.00 0.02 0.00 0.00 55.36 53.99 2jdc s GLN 24 Cb 0.29 -1.86 0.08 0.00 1.00 0.00 0.00 33.01 32.53 2jdc s GLN 24 CO 0.30 0.21 1.18 -2.14 -2.12 0.00 0.00 175.29 172.71 2jdc s PRO 25 N -3.63 1.68 0.54 2.91 0.02 -1.26 -4.90 135.00 130.36 2jdc s PRO 25 Ca 0.33 1.64 0.21 0.00 0.02 0.00 0.00 61.00 63.20 2jdc s PRO 25 Cb -0.01 -1.79 1.41 0.00 0.02 0.00 0.00 34.50 34.13 2jdc s PRO 25 CO 0.18 -2.15 2.12 0.97 -0.33 0.00 0.00 177.00 177.78 2jdc h ILE 26 N -1.00 0.81 0.00 2.83 6.09 -1.98 -1.12 117.51 123.15 2jdc h ILE 26 Ca -0.45 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.03 2jdc h ILE 26 Cb 1.28 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 2jdc h ILE 26 CO 0.46 0.00 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.20 2jdc h GLU 27 N 0.00 0.00 0.00 2.19 3.07 -1.97 0.08 114.58 117.95 2jdc h GLU 27 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2jdc h GLU 27 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2jdc h GLU 27 CO -0.00 0.01 0.00 0.00 -1.40 0.00 0.00 179.01 177.62 2jdc h ALA 28 N 1.99 1.00 -0.02 3.43 0.00 -1.54 -1.94 119.26 122.17 2jdc h ALA 28 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jdc h ALA 28 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jdc h ALA 28 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.23 2jdc n MET 30 N 0.42 3.87 -1.73 0.00 2.00 -0.73 -4.83 117.12 116.12 2jdc n MET 30 Ca 0.17 -4.11 -0.42 0.00 0.00 0.00 0.00 57.70 53.34 2jdc n MET 30 Cb 0.42 -2.73 -0.03 0.00 0.00 0.00 0.00 33.22 30.88 2jdc n MET 30 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2jdc s PHE 31 N -0.84 2.85 0.48 2.03 0.08 -1.26 -4.87 117.98 116.46 2jdc s PHE 31 Ca 0.36 0.44 0.18 0.00 0.12 0.00 0.00 56.93 58.02 2jdc s PHE 31 Cb 0.02 -4.14 1.22 0.00 -0.57 0.00 0.00 43.02 39.56 2jdc s PHE 31 CO 0.02 -4.19 2.08 0.93 -0.10 0.00 0.00 175.22 173.96 2jdc h GLU 32 N 6.30 0.00 0.00 0.44 5.08 -1.96 -1.21 114.58 123.23 2jdc h GLU 32 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2jdc h GLU 32 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jdc h GLU 32 CO 0.92 0.10 0.00 0.66 -1.00 0.00 0.00 179.01 179.69 2jdc h SER 33 N 0.00 0.00 0.03 1.42 4.64 -1.99 -0.98 113.55 116.68 2jdc h SER 33 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jdc h SER 33 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jdc h SER 33 CO 0.01 0.00 -0.01 0.44 -0.87 0.00 0.00 176.83 176.40 2jdc h ASP 34 N 0.00 0.00 -0.58 4.97 3.32 -1.59 -2.16 116.42 120.38 2jdc h ASP 34 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jdc h ASP 34 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jdc h ASP 34 CO 0.00 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2jdc n LEU 35 N -3.70 5.48 -4.90 1.55 4.77 -0.37 -4.77 117.00 115.06 2jdc n LEU 35 Ca -0.03 -2.83 -0.31 0.00 -0.03 0.00 0.00 56.01 52.81 2jdc n LEU 35 Cb 0.09 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 2jdc n LEU 35 CO 0.26 0.68 0.08 -0.76 -1.33 0.00 0.00 177.39 176.31 2jdc s LEU 36 N -2.57 4.23 0.09 2.23 1.43 -0.81 -5.01 118.68 118.27 2jdc s LEU 36 Ca 0.54 0.64 -0.36 0.00 -1.03 0.00 0.00 54.13 53.92 2jdc s LEU 36 Cb 0.40 -3.39 -0.16 0.00 0.03 0.00 0.00 46.19 43.07 2jdc s LEU 36 CO 0.18 0.00 1.44 -1.14 0.23 0.00 0.00 176.35 177.06 2jdc n ARG 37 N -0.09 1.49 -0.96 1.70 0.63 -1.26 -1.97 116.66 116.20 2jdc n ARG 37 Ca -0.02 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 2jdc n ARG 37 Cb 0.52 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.20 2jdc n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jdc n GLY 38 N 2.91 0.81 3.62 5.14 0.00 -1.26 -4.20 105.19 112.22 2jdc n GLY 38 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jdc n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdc n ALA 39 N 0.89 0.31 -2.60 4.61 0.00 -0.83 -4.75 120.51 118.13 2jdc n ALA 39 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 2jdc n ALA 39 Cb 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.28 2jdc n ALA 39 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jdc s PHE 40 N -1.19 0.24 0.01 0.00 -0.71 -0.21 -5.00 117.98 111.11 2jdc s PHE 40 Ca 0.61 -0.64 0.01 0.00 -1.04 0.00 0.00 56.93 55.87 2jdc s PHE 40 Cb -0.59 -0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 2jdc s PHE 40 CO 0.59 -0.60 -0.05 -1.01 -1.34 0.00 0.00 175.22 172.80 2jdc s HIS 41 N -3.90 0.46 0.05 3.49 3.76 -1.26 -0.95 115.29 116.95 2jdc s HIS 41 Ca 0.09 -0.26 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 2jdc s HIS 41 Cb 0.04 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.42 2jdc s HIS 41 CO -0.07 -0.05 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.05 2jdc s LEU 42 N -0.73 2.19 0.08 0.89 1.43 -0.21 -2.07 118.68 120.25 2jdc s LEU 42 Ca -0.04 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 2jdc s LEU 42 Cb -0.05 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 2jdc s LEU 42 CO -0.00 0.14 -0.23 -0.83 0.23 0.00 0.00 176.35 175.66 2jdc s GLY 43 N -1.29 1.28 -0.20 -3.19 0.00 0.03 -1.99 107.32 101.95 2jdc s GLY 43 Ca 0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 2jdc s GLY 43 CO 0.02 -1.17 -0.01 -0.32 0.00 0.00 0.00 173.10 171.62 2jdc s GLY 44 N -1.56 1.69 -0.07 0.20 0.00 0.23 -1.22 107.32 106.60 2jdc s GLY 44 Ca 0.09 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.81 2jdc s GLY 44 CO 0.03 0.25 -0.08 -0.19 0.00 0.00 0.00 173.10 173.11 2jdc s TYR 45 N 1.05 2.90 -0.11 1.90 1.51 0.23 -0.71 117.35 124.12 2jdc s TYR 45 Ca 0.02 -0.03 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 2jdc s TYR 45 Cb -0.14 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 2jdc s TYR 45 CO 0.01 0.29 0.24 -0.47 -1.11 0.00 0.00 175.55 174.51 2jdc s TYR 46 N -0.73 -0.33 -1.38 2.71 6.14 -0.27 -1.56 117.35 121.93 2jdc s TYR 46 Ca 0.11 0.80 -0.09 0.00 0.64 0.00 0.00 57.07 58.52 2jdc s TYR 46 Cb -0.11 0.02 0.06 0.00 0.42 0.00 0.00 41.96 42.35 2jdc s TYR 46 CO 0.01 -0.25 0.58 0.41 0.64 0.00 0.00 175.55 176.95 2jdc n GLY 47 N 4.46 -0.49 0.89 8.97 0.00 -1.26 -1.99 105.19 115.76 2jdc n GLY 47 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jdc n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jdc n GLY 48 N -1.31 0.77 2.94 -0.02 0.00 -1.26 -5.06 105.19 101.26 2jdc n GLY 48 Ca -0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2jdc n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jdc s LYS 49 N -0.61 0.41 -0.16 1.61 2.20 -0.84 -5.11 119.74 117.24 2jdc s LYS 49 Ca 0.00 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 2jdc s LYS 49 Cb 0.00 -0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 35.88 2jdc s LYS 49 CO 0.00 0.09 1.48 -1.17 -0.36 0.00 0.00 175.35 175.39 2jdc s LEU 50 N -0.02 4.12 0.00 5.43 2.96 -1.26 -1.11 118.68 128.80 2jdc s LEU 50 Ca 0.01 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 2jdc s LEU 50 Cb -0.03 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2jdc s LEU 50 CO -0.00 -0.97 0.21 2.30 -1.32 0.00 0.00 176.35 176.57 2jdc n ILE 51 N 5.76 0.00 -3.79 6.68 -6.64 0.11 -4.98 119.36 116.50 2jdc n ILE 51 Ca 0.16 -0.34 -0.13 0.00 -1.77 0.00 0.00 62.75 60.68 2jdc n ILE 51 Cb 0.44 1.20 -0.10 0.00 -1.44 0.00 0.00 39.64 39.74 2jdc n ILE 51 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jdc s SER 52 N -0.25 -0.22 0.05 7.28 0.15 -1.01 -0.52 113.70 119.18 2jdc s SER 52 Ca 0.00 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.97 2jdc s SER 52 Cb 0.00 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 2jdc s SER 52 CO 0.00 -0.24 -0.06 0.27 1.20 0.00 0.00 173.24 174.41 2jdc s ILE 53 N -0.51 0.41 -0.26 6.45 -4.36 -0.13 -0.60 121.20 122.20 2jdc s ILE 53 Ca -0.06 -1.25 -0.25 0.00 -0.26 0.00 0.00 60.65 58.83 2jdc s ILE 53 Cb -0.04 -0.78 0.07 0.00 1.25 0.00 0.00 42.46 42.96 2jdc s ILE 53 CO 0.02 -0.56 0.72 0.00 0.24 0.00 0.00 174.94 175.35 2jdc s ALA 54 N -2.03 -1.77 -0.01 2.27 0.00 -0.84 -2.06 121.76 117.31 2jdc s ALA 54 Ca -0.06 2.00 0.05 0.00 0.00 0.00 0.00 51.96 53.94 2jdc s ALA 54 Cb -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2jdc s ALA 54 CO -0.02 -0.34 -0.15 -1.12 0.00 0.00 0.00 175.76 174.13 2jdc s SER 55 N 0.32 1.81 0.01 0.00 0.01 -0.49 -1.05 113.70 114.30 2jdc s SER 55 Ca -0.00 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 56.99 2jdc s SER 55 Cb -0.05 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2jdc s SER 55 CO 0.01 0.18 -0.07 -0.36 0.41 0.00 0.00 173.24 173.42 2jdc s PHE 56 N -0.39 0.60 0.07 2.43 0.40 -0.12 -0.65 117.98 120.31 2jdc s PHE 56 Ca 0.06 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 56.01 2jdc s PHE 56 Cb -0.06 -0.38 0.04 0.00 0.51 0.00 0.00 43.02 43.13 2jdc s PHE 56 CO -0.00 -0.02 0.45 -3.38 0.70 0.00 0.00 175.22 172.96 2jdc s HIS 57 N -0.41 -0.31 0.03 0.36 -3.43 -0.83 -1.04 115.29 109.65 2jdc s HIS 57 Ca -0.00 0.22 -0.30 0.00 -0.80 0.00 0.00 55.06 54.17 2jdc s HIS 57 Cb -0.04 0.28 -0.06 0.00 -1.43 0.00 0.00 32.58 31.33 2jdc s HIS 57 CO -0.00 -0.64 1.37 -1.14 -2.00 0.00 0.00 174.74 172.33 2jdc s GLN 58 N -2.86 4.31 -0.30 -0.38 0.74 -1.26 -0.75 119.66 119.17 2jdc s GLN 58 Ca -0.03 1.96 -0.12 0.00 0.05 0.00 0.00 55.36 57.22 2jdc s GLN 58 Cb -0.00 -3.47 0.13 0.00 1.10 0.00 0.00 33.01 30.77 2jdc s GLN 58 CO -0.05 -0.50 0.72 0.00 -0.55 0.00 0.00 175.29 174.90 2jdc s ALA 59 N 1.94 -2.14 -0.29 1.58 0.00 -0.09 -4.87 121.76 117.88 2jdc s ALA 59 Ca 0.63 2.31 -0.16 0.00 0.00 0.00 0.00 51.96 54.74 2jdc s ALA 59 Cb -0.32 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2jdc s ALA 59 CO 0.28 -0.86 0.41 -1.21 0.00 0.00 0.00 175.76 174.38 2jdc s GLU 60 N 2.64 3.91 0.06 0.00 8.01 -1.26 -3.99 118.70 128.08 2jdc s GLU 60 Ca -0.06 -0.00 -0.30 0.00 0.01 0.00 0.00 54.97 54.61 2jdc s GLU 60 Cb -0.10 -3.69 -0.05 0.00 -4.31 0.00 0.00 34.13 25.98 2jdc s GLU 60 CO -0.19 -0.37 1.08 -1.58 0.01 0.00 0.00 175.26 174.21 2jdc s HIS 61 N 2.14 3.58 0.51 1.61 2.46 -1.26 -4.94 115.29 119.40 2jdc s HIS 61 Ca 0.16 1.54 0.34 0.00 0.47 0.00 0.00 55.06 57.57 2jdc s HIS 61 Cb -0.16 -3.25 1.86 0.00 -0.13 0.00 0.00 32.58 30.90 2jdc s HIS 61 CO 0.11 -0.56 2.21 0.66 -2.47 0.00 0.00 174.74 174.68 2jdc h SER 62 N 6.44 0.00 -0.39 9.88 4.64 -2.01 -2.55 113.55 129.55 2jdc h SER 62 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2jdc h SER 62 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jdc h SER 62 CO 0.77 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 176.14 2jdc n GLU 63 N -3.47 2.40 -4.46 4.77 1.02 -1.26 -4.93 120.64 114.72 2jdc n GLU 63 Ca -0.02 -2.20 -0.29 0.00 -0.02 0.00 0.00 57.16 54.62 2jdc n GLU 63 Cb 0.15 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 2jdc n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jdc s LEU 64 N -1.31 2.33 -0.19 -4.62 1.43 -0.96 -5.11 118.68 110.25 2jdc s LEU 64 Ca 0.35 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2jdc s LEU 64 Cb 0.20 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2jdc s LEU 64 CO 0.28 0.19 0.02 -1.10 0.23 0.00 0.00 176.35 175.97 2jdc s GLN 65 N -1.94 3.74 0.00 1.70 -1.52 -1.26 -4.74 119.66 115.63 2jdc s GLN 65 Ca 0.14 -0.46 0.00 0.00 -1.95 0.00 0.00 55.36 53.09 2jdc s GLN 65 Cb -0.10 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 2jdc s GLN 65 CO 0.06 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.61 2jdc n GLY 66 N 4.01 3.57 0.32 3.09 0.00 -1.26 -4.94 105.19 109.97 2jdc n GLY 66 Ca -0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2jdc n GLY 66 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jdc h GLN 67 N 0.00 1.10 -4.73 1.61 4.15 -1.96 -3.40 115.11 111.87 2jdc h GLN 67 Ca 0.00 -0.27 -0.60 0.00 0.77 0.00 0.00 58.65 58.55 2jdc h GLN 67 Cb 0.00 -0.14 -0.35 0.00 0.21 0.00 0.00 27.48 27.20 2jdc h GLN 67 CO 0.00 0.98 -0.84 0.21 -1.93 0.00 0.00 178.83 177.25 2jdc s LYS 68 N -5.26 2.29 0.06 1.69 2.20 -1.26 -4.99 119.74 114.46 2jdc s LYS 68 Ca -0.12 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2jdc s LYS 68 Cb 0.15 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.44 2jdc s LYS 68 CO 0.84 -0.13 -0.11 -0.65 -0.36 0.00 0.00 175.35 174.94 2jdc s GLN 69 N 1.19 0.66 0.05 4.03 -0.21 -1.26 -0.27 119.66 123.86 2jdc s GLN 69 Ca -0.02 -0.85 0.09 0.00 0.02 0.00 0.00 55.36 54.60 2jdc s GLN 69 Cb -0.14 -0.52 -0.03 0.00 1.00 0.00 0.00 33.01 33.32 2jdc s GLN 69 CO -0.05 0.11 -0.24 0.71 -2.12 0.00 0.00 175.29 173.69 2jdc s TYR 70 N -1.37 2.14 -0.14 0.91 1.51 -0.68 -0.91 117.35 118.81 2jdc s TYR 70 Ca -0.06 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2jdc s TYR 70 Cb -0.10 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2jdc s TYR 70 CO 0.01 0.14 0.07 -1.14 -1.11 0.00 0.00 175.55 173.52 2jdc s GLN 71 N -1.32 3.54 -0.12 -0.62 0.74 0.08 -1.02 119.66 120.93 2jdc s GLN 71 Ca 0.10 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.06 2jdc s GLN 71 Cb -0.10 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 2jdc s GLN 71 CO 0.02 0.56 0.43 -1.17 -0.55 0.00 0.00 175.29 174.58 2jdc s LEU 72 N -0.43 4.28 0.13 3.68 2.96 -0.01 -1.97 118.68 127.31 2jdc s LEU 72 Ca 0.10 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 2jdc s LEU 72 Cb -0.12 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2jdc s LEU 72 CO 0.02 0.04 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.81 2jdc s ARG 73 N 0.52 1.04 -0.89 1.98 0.52 0.17 -4.54 118.95 117.76 2jdc s ARG 73 Ca 0.24 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.15 2jdc s ARG 73 Cb -0.15 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.41 2jdc s ARG 73 CO 0.09 0.18 0.55 0.41 0.02 0.00 0.00 175.30 176.55 2jdc n GLY 74 N 0.49 -0.00 3.65 -3.53 0.00 -1.26 -1.40 105.19 103.13 2jdc n GLY 74 Ca -0.15 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 2jdc n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jdc s MET 75 N -5.53 4.17 -0.26 1.61 0.00 -1.26 -3.79 119.30 114.25 2jdc s MET 75 Ca 0.27 1.18 -0.25 0.00 0.00 0.00 0.00 55.69 56.90 2jdc s MET 75 Cb -0.12 -3.68 0.07 0.00 0.00 0.00 0.00 34.83 31.10 2jdc s MET 75 CO 0.34 -0.71 0.70 0.00 0.00 0.00 0.00 175.02 175.35 2jdc s ALA 76 N 3.30 -1.74 -0.04 4.11 0.00 -0.87 -5.01 121.76 121.50 2jdc s ALA 76 Ca 0.43 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.39 2jdc s ALA 76 Cb -0.14 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 2jdc s ALA 76 CO 0.09 -0.33 -0.16 0.99 0.00 0.00 0.00 175.76 176.35 2jdc s THR 77 N 0.31 1.37 0.28 0.00 2.01 -1.26 -0.96 115.64 117.38 2jdc s THR 77 Ca -0.00 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 2jdc s THR 77 Cb -0.05 -1.18 -0.10 0.00 0.01 0.00 0.00 72.50 71.19 2jdc s THR 77 CO 0.01 0.40 1.33 -0.22 -0.69 0.00 0.00 174.62 175.45 2jdc s LEU 78 N 0.05 4.42 0.24 4.42 2.96 0.33 -4.81 118.68 126.29 2jdc s LEU 78 Ca -0.04 2.60 -0.31 0.00 -0.22 0.00 0.00 54.13 56.16 2jdc s LEU 78 Cb -0.11 -3.63 -0.14 0.00 0.50 0.00 0.00 46.19 42.81 2jdc s LEU 78 CO 0.02 -0.56 1.27 -0.62 -1.32 0.00 0.00 176.35 175.14 2jdc n GLU 79 N 1.65 1.73 0.00 1.98 1.02 -1.26 -1.18 120.64 124.59 2jdc n GLU 79 Ca 0.03 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2jdc n GLU 79 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 2jdc n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jdc n GLY 80 N 1.80 2.75 0.00 0.62 0.00 -1.26 -4.85 105.19 104.25 2jdc n GLY 80 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jdc n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jdc n TYR 81 N -0.53 0.00 -1.42 1.61 4.01 -0.32 -5.04 117.16 115.47 2jdc n TYR 81 Ca 0.00 -0.22 -0.30 0.00 -0.16 0.00 0.00 57.90 57.22 2jdc n TYR 81 Cb 0.00 -0.02 0.10 0.00 -0.31 0.00 0.00 39.34 39.10 2jdc n TYR 81 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jdc s ARG 82 N -0.44 2.03 -1.35 -0.72 0.52 -1.18 -4.00 118.95 113.81 2jdc s ARG 82 Ca 0.00 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 2jdc s ARG 82 Cb 0.00 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2jdc s ARG 82 CO 0.00 -1.71 0.00 0.39 0.02 0.00 0.00 175.30 174.00 2jdc n GLU 83 N -3.52 -0.94 -0.14 3.54 -0.58 -1.26 -4.88 120.64 112.86 2jdc n GLU 83 Ca 0.07 0.91 0.05 0.00 -0.42 0.00 0.00 57.16 57.77 2jdc n GLU 83 Cb 0.55 -5.00 0.12 0.00 -0.57 0.00 0.00 31.44 26.55 2jdc n GLU 83 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jdc n GLN 84 N -2.56 2.71 -1.46 3.49 1.13 -1.26 -4.97 117.38 114.47 2jdc n GLN 84 Ca -0.14 -1.90 -0.13 0.00 -1.94 0.00 0.00 57.00 52.89 2jdc n GLN 84 Cb 0.47 -1.22 -0.05 0.00 0.11 0.00 0.00 30.24 29.54 2jdc n GLN 84 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2jdc n LYS 85 N 0.37 -0.93 0.16 -1.09 4.76 -1.26 -4.91 118.16 115.27 2jdc n LYS 85 Ca 0.09 0.93 -0.14 0.00 -2.87 0.00 0.00 58.31 56.33 2jdc n LYS 85 Cb 0.39 -5.01 -0.08 0.00 -1.84 0.00 0.00 35.03 28.49 2jdc n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jdc h ALA 86 N 0.06 -0.37 -0.16 7.82 0.00 -1.94 -0.39 119.26 124.29 2jdc h ALA 86 Ca -0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jdc h ALA 86 Cb 0.89 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jdc h ALA 86 CO 0.39 -0.65 0.09 0.78 0.00 0.00 0.00 179.25 179.86 2jdc h GLY 87 N -0.48 0.23 0.92 0.00 0.00 -1.93 -1.83 103.07 99.99 2jdc h GLY 87 Ca -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.26 2jdc h GLY 87 CO 0.06 0.09 0.56 1.76 0.00 0.00 0.00 176.54 179.01 2jdc h SER 88 N 0.18 0.84 -0.63 0.19 0.02 -1.96 -1.61 113.55 110.58 2jdc h SER 88 Ca 0.06 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2jdc h SER 88 Cb 0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2jdc h SER 88 CO -0.01 0.55 0.12 0.28 -1.14 0.00 0.00 176.83 176.63 2jdc h SER 89 N 0.96 0.98 -0.42 3.07 0.02 -0.59 -0.14 113.55 117.43 2jdc h SER 89 Ca 0.36 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2jdc h SER 89 Cb 0.20 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2jdc h SER 89 CO -0.13 0.98 0.18 -0.07 -1.14 0.00 0.00 176.83 176.64 2jdc h LEU 90 N 0.93 0.57 -0.43 5.07 3.38 -0.64 -1.62 115.31 122.57 2jdc h LEU 90 Ca 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jdc h LEU 90 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jdc h LEU 90 CO 0.01 0.57 0.12 0.40 0.09 0.00 0.00 178.44 179.62 2jdc h ILE 91 N 0.53 1.23 -0.61 1.22 1.08 -1.08 -0.39 117.51 119.48 2jdc h ILE 91 Ca 0.14 -0.76 -0.05 0.00 -0.39 0.00 0.00 64.86 63.80 2jdc h ILE 91 Cb 0.17 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2jdc h ILE 91 CO -0.01 0.27 0.19 0.11 -0.69 0.00 0.00 178.15 178.01 2jdc h LYS 92 N 0.55 0.96 -0.56 2.37 1.57 -0.97 0.74 116.57 121.23 2jdc h LYS 92 Ca 0.14 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2jdc h LYS 92 Cb 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2jdc h LYS 92 CO -0.00 0.85 0.30 1.25 -0.57 0.00 0.00 179.45 181.28 2jdc h HIS 93 N 0.88 0.79 -0.86 -1.35 2.76 -1.21 -2.48 115.15 113.68 2jdc h HIS 93 Ca 0.20 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2jdc h HIS 93 Cb 0.30 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 2jdc h HIS 93 CO 0.02 0.58 0.44 0.00 -1.30 0.00 0.00 177.93 177.67 2jdc h ALA 94 N 1.13 1.15 -0.57 5.26 0.00 -0.66 -2.36 119.26 123.21 2jdc h ALA 94 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jdc h ALA 94 Cb 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2jdc h ALA 94 CO -0.03 0.66 0.38 0.93 0.00 0.00 0.00 179.25 181.19 2jdc h GLU 95 N 1.22 0.68 -0.31 0.00 5.08 -0.47 0.15 114.58 120.93 2jdc h GLU 95 Ca 0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2jdc h GLU 95 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2jdc h GLU 95 CO -0.04 0.45 0.15 0.93 -1.00 0.00 0.00 179.01 179.50 2jdc h GLU 96 N 0.70 0.44 -0.39 2.33 5.08 -1.00 0.15 114.58 121.88 2jdc h GLU 96 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2jdc h GLU 96 Cb 0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2jdc h GLU 96 CO -0.06 0.40 0.20 0.82 -1.00 0.00 0.00 179.01 179.37 2jdc h ILE 97 N 0.37 1.16 -0.36 3.13 2.04 -1.03 -1.53 117.51 121.28 2jdc h ILE 97 Ca 0.11 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 2jdc h ILE 97 Cb 0.10 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jdc h ILE 97 CO -0.01 0.17 -0.10 -0.07 0.00 0.00 0.00 178.15 178.14 2jdc h LEU 98 N 0.50 0.70 -0.76 1.44 3.38 -0.56 -1.72 115.31 118.29 2jdc h LEU 98 Ca 0.14 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2jdc h LEU 98 Cb 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2jdc h LEU 98 CO -0.02 0.91 0.48 0.03 0.09 0.00 0.00 178.44 179.93 2jdc h ARG 99 N 0.49 0.90 -0.05 1.13 3.08 -0.61 -0.98 114.38 118.34 2jdc h ARG 99 Ca 0.09 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2jdc h ARG 99 Cb 0.61 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2jdc h ARG 99 CO 0.04 0.60 -0.25 -0.22 -1.07 0.00 0.00 179.97 179.06 2jdc h LYS 100 N 0.93 0.09 0.00 0.04 3.64 -1.02 -1.73 116.57 118.52 2jdc h LYS 100 Ca 0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2jdc h LYS 100 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2jdc h LYS 100 CO -0.11 0.34 0.00 0.54 -2.27 0.00 0.00 179.45 177.94 2jdc n ARG 101 N -4.21 0.74 -1.01 1.90 1.74 -0.67 -4.92 116.66 110.23 2jdc n ARG 101 Ca -0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 2jdc n ARG 101 Cb 0.32 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2jdc n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jdc n GLY 102 N 1.12 0.45 3.77 -0.13 0.00 -0.65 -5.03 105.19 104.72 2jdc n GLY 102 Ca 0.20 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 2jdc n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jdc s ALA 103 N -2.01 3.10 -0.12 4.61 0.00 -0.44 -4.75 121.76 122.15 2jdc s ALA 103 Ca 0.00 1.04 0.19 0.00 0.00 0.00 0.00 51.96 53.19 2jdc s ALA 103 Cb 0.00 -3.42 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 2jdc s ALA 103 CO 0.00 -0.69 0.44 -0.25 0.00 0.00 0.00 175.76 175.26 2jdc n ASP 104 N -0.15 0.24 -3.63 0.00 8.00 0.63 -4.58 116.55 117.06 2jdc n ASP 104 Ca 0.05 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 2jdc n ASP 104 Cb 0.46 1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.62 2jdc n ASP 104 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jdc s LEU 105 N -5.21 -0.34 -0.13 0.64 0.20 -1.22 -1.52 118.68 111.11 2jdc s LEU 105 Ca -0.07 1.00 0.02 0.00 0.69 0.00 0.00 54.13 55.76 2jdc s LEU 105 Cb 0.10 2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 48.02 2jdc s LEU 105 CO 0.85 -0.35 -0.19 -0.22 -0.29 0.00 0.00 176.35 176.16 2jdc s LEU 106 N -0.24 2.33 0.15 -0.68 2.96 -0.34 -1.68 118.68 121.18 2jdc s LEU 106 Ca -0.04 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2jdc s LEU 106 Cb -0.03 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2jdc s LEU 106 CO 0.04 0.12 -0.10 -1.66 -1.32 0.00 0.00 176.35 173.42 2jdc s TRP 107 N 0.61 1.29 -0.08 5.38 1.48 -0.19 0.01 118.94 127.44 2jdc s TRP 107 Ca -0.10 -0.75 -0.22 0.00 -1.06 0.00 0.00 56.10 53.97 2jdc s TRP 107 Cb -0.16 -0.65 0.05 0.00 -1.16 0.00 0.00 33.47 31.54 2jdc s TRP 107 CO 0.03 0.10 0.52 0.00 -4.06 0.00 0.00 176.95 173.53 2jdc s ASN 109 N -0.81 6.54 0.27 0.00 0.01 -1.26 -0.61 114.94 119.09 2jdc s ASN 109 Ca -0.09 -1.67 -0.30 0.00 -0.71 0.00 0.00 52.86 50.09 2jdc s ASN 109 Cb -0.03 -2.50 -0.09 0.00 0.41 0.00 0.00 41.25 39.04 2jdc s ASN 109 CO 0.05 -1.33 1.03 0.00 -1.51 0.00 0.00 177.10 175.35 2jdc s ALA 110 N 4.04 3.37 0.28 0.60 0.00 -0.12 -4.76 121.76 125.17 2jdc s ALA 110 Ca 0.40 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2jdc s ALA 110 Cb -0.02 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 2jdc s ALA 110 CO -0.09 -0.01 1.62 1.03 0.00 0.00 0.00 175.76 178.31 2jdc s ARG 111 N -1.37 4.12 0.45 0.00 0.52 -1.26 -0.36 118.95 121.04 2jdc s ARG 111 Ca 0.43 2.59 0.12 0.00 -0.52 0.00 0.00 55.73 58.35 2jdc s ARG 111 Cb -0.29 -3.03 1.00 0.00 0.52 0.00 0.00 34.95 33.15 2jdc s ARG 111 CO 0.37 -0.66 2.04 1.79 0.02 0.00 0.00 175.30 178.86 2jdc h THR 112 N 3.46 1.09 -0.00 0.02 1.35 -1.69 -0.44 112.91 116.71 2jdc h THR 112 Ca -0.46 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2jdc h THR 112 Cb 1.22 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2jdc h THR 112 CO 0.82 0.12 0.05 0.77 -0.25 0.00 0.00 175.52 177.03 2jdc h SER 113 N 0.18 0.00 -0.35 5.36 4.64 -1.90 -1.64 113.55 119.85 2jdc h SER 113 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jdc h SER 113 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2jdc h SER 113 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2jdc n ALA 114 N -2.06 2.30 -0.29 5.18 0.00 -0.19 -4.70 120.51 120.76 2jdc n ALA 114 Ca -0.03 -1.04 0.04 0.00 0.00 0.00 0.00 53.44 52.41 2jdc n ALA 114 Cb 0.12 -0.57 0.26 0.00 0.00 0.00 0.00 19.45 19.26 2jdc n ALA 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jdc h SER 115 N 2.80 0.87 0.41 0.00 4.64 -1.15 -1.34 113.55 119.78 2jdc h SER 115 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2jdc h SER 115 Cb 0.76 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2jdc h SER 115 CO 0.00 0.55 -0.25 1.23 -0.87 0.00 0.00 176.83 177.50 2jdc h GLY 116 N 0.98 0.00 0.77 -0.77 0.00 -1.84 -1.21 103.07 101.01 2jdc h GLY 116 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2jdc h GLY 116 CO -0.14 0.00 -0.07 -1.82 0.00 0.00 0.00 176.54 174.51 2jdc h TYR 117 N 0.00 -0.18 -0.57 5.60 3.20 -1.60 -1.91 116.97 121.52 2jdc h TYR 117 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2jdc h TYR 117 Cb 0.52 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2jdc h TYR 117 CO 0.00 0.08 0.23 1.88 -1.64 0.00 0.00 178.16 178.71 2jdc h TYR 118 N -0.42 0.83 -0.61 -3.82 0.05 -1.31 -2.28 116.97 109.41 2jdc h TYR 118 Ca -0.02 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.74 2jdc h TYR 118 Cb 0.33 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 2jdc h TYR 118 CO 0.00 0.64 0.38 -0.22 -1.05 0.00 0.00 178.16 177.92 2jdc h LYS 119 N 0.81 0.75 -0.00 4.88 3.64 -1.18 -0.53 116.57 124.94 2jdc h LYS 119 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jdc h LYS 119 Cb 0.16 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2jdc h LYS 119 CO -0.02 0.49 -0.05 0.87 -2.27 0.00 0.00 179.45 178.47 2jdc h LYS 120 N 0.77 0.00 -0.11 1.90 1.79 -0.82 -0.57 116.57 119.52 2jdc h LYS 120 Ca 0.23 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2jdc h LYS 120 Cb -0.03 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2jdc h LYS 120 CO -0.08 0.06 0.00 1.28 -1.08 0.00 0.00 179.45 179.63 2jdc n LEU 121 N -4.47 0.92 0.00 2.94 4.77 -0.62 -4.91 117.00 115.62 2jdc n LEU 121 Ca -0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2jdc n LEU 121 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2jdc n LEU 121 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2jdc n GLY 122 N 0.93 0.64 3.82 -0.72 0.00 -0.22 -5.06 105.19 104.57 2jdc n GLY 122 Ca 0.13 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2jdc n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jdc s PHE 123 N -2.00 3.27 0.18 1.61 0.40 -0.30 -4.75 117.98 116.37 2jdc s PHE 123 Ca 0.00 1.60 0.08 0.00 -0.60 0.00 0.00 56.93 58.01 2jdc s PHE 123 Cb 0.00 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 2jdc s PHE 123 CO 0.00 -0.22 -0.02 -1.12 0.70 0.00 0.00 175.22 174.56 2jdc s SER 124 N -2.17 4.65 0.28 1.36 0.01 0.20 -4.22 113.70 113.82 2jdc s SER 124 Ca 0.63 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 2jdc s SER 124 Cb -0.10 -0.95 -0.08 0.00 0.21 0.00 0.00 66.02 65.10 2jdc s SER 124 CO 0.14 0.09 0.67 -1.61 0.41 0.00 0.00 173.24 172.94 2jdc s GLU 125 N -2.93 3.96 0.01 12.44 2.02 -1.26 -1.06 118.70 131.88 2jdc s GLU 125 Ca 0.27 0.56 0.02 0.00 0.02 0.00 0.00 54.97 55.84 2jdc s GLU 125 Cb -0.09 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 2jdc s GLU 125 CO 0.18 0.24 -0.06 -1.14 0.02 0.00 0.00 175.26 174.50 2jdc s GLN 126 N -2.80 0.47 2.82 1.61 0.74 -0.07 -4.94 119.66 117.48 2jdc s GLN 126 Ca 0.50 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.58 2jdc s GLN 126 Cb -0.11 -0.40 0.00 0.00 1.10 0.00 0.00 33.01 33.60 2jdc s GLN 126 CO 0.19 0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 2jdc n GLY 127 N 2.57 -0.41 3.67 2.59 0.00 -1.26 -3.90 105.19 108.45 2jdc n GLY 127 Ca -0.15 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2jdc n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jdc s GLU 128 N 0.00 2.39 0.31 1.61 0.41 -1.26 -4.96 118.70 117.20 2jdc s GLU 128 Ca 0.00 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 52.94 2jdc s GLU 128 Cb 0.00 -2.24 -0.11 0.00 -1.78 0.00 0.00 34.13 30.00 2jdc s GLU 128 CO 0.00 0.38 1.44 0.08 -0.49 0.00 0.00 175.26 176.68 2jdc s VAL 129 N -2.21 2.43 0.09 2.63 1.01 -1.26 -4.60 120.40 118.49 2jdc s VAL 129 Ca 0.31 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2jdc s VAL 129 Cb -0.07 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2jdc s VAL 129 CO 0.20 0.08 -0.06 0.72 0.00 0.00 0.00 175.10 176.04 2jdc s PHE 130 N -0.55 0.81 -0.10 5.22 -0.71 -0.20 -4.97 117.98 117.48 2jdc s PHE 130 Ca 0.56 -0.90 -0.06 0.00 -1.04 0.00 0.00 56.93 55.49 2jdc s PHE 130 Cb -0.43 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 2jdc s PHE 130 CO 0.51 -0.18 0.14 -0.51 -1.34 0.00 0.00 175.22 173.84 2jdc s ASP 131 N -2.89 6.31 -0.43 1.98 1.11 -1.26 0.12 116.67 121.61 2jdc s ASP 131 Ca 0.09 0.43 0.03 0.00 0.18 0.00 0.00 52.55 53.27 2jdc s ASP 131 Cb 0.04 -2.02 0.12 0.00 1.07 0.00 0.00 42.92 42.14 2jdc s ASP 131 CO -0.05 0.38 0.19 -0.89 1.18 0.00 0.00 175.17 175.98 2jdc s THR 132 N -1.07 1.89 0.23 -1.27 2.01 -0.53 -4.95 115.64 111.94 2jdc s THR 132 Ca 0.17 -2.60 -0.32 0.00 0.31 0.00 0.00 61.69 59.25 2jdc s THR 132 Cb -0.12 -2.35 -0.14 0.00 0.01 0.00 0.00 72.50 69.91 2jdc s THR 132 CO 0.06 -0.77 1.41 -2.65 -0.69 0.00 0.00 174.62 171.98 2jdc n PRO 133 N 3.73 1.98 -1.17 4.92 -0.02 -1.26 -0.04 135.00 143.14 2jdc n PRO 133 Ca 0.05 0.71 -0.19 0.00 -2.02 0.00 0.00 63.50 62.05 2jdc n PRO 133 Cb 0.36 -2.37 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 2jdc n PRO 133 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jdc n PRO 134 N 2.15 2.62 -0.29 0.52 -0.04 -1.26 -4.94 135.00 133.76 2jdc n PRO 134 Ca 0.12 -3.04 0.09 0.00 -0.04 0.00 0.00 63.50 60.63 2jdc n PRO 134 Cb 0.31 -2.18 0.20 0.00 -0.04 0.00 0.00 33.50 31.79 2jdc n PRO 134 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jdc n VAL 135 N -0.90 2.05 -4.02 0.52 0.24 0.94 -5.09 118.33 112.07 2jdc n VAL 135 Ca 0.55 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 2jdc n VAL 135 Cb 1.59 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 2jdc n VAL 135 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jdc n GLY 136 N -0.81 -1.75 3.74 7.63 0.00 -1.07 -4.84 105.19 108.09 2jdc n GLY 136 Ca 0.18 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2jdc n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jdc s PRO 137 N 0.00 4.39 0.16 1.61 0.04 -1.26 -1.46 135.00 138.48 2jdc s PRO 137 Ca 0.00 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2jdc s PRO 137 Cb 0.00 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2jdc s PRO 137 CO 0.00 -0.24 -0.11 -1.01 0.04 0.00 0.00 177.00 175.68 2jdc s HIS 138 N -0.03 1.34 -0.06 0.56 3.76 0.12 -1.86 115.29 119.12 2jdc s HIS 138 Ca 0.56 -0.72 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 2jdc s HIS 138 Cb -0.37 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 32.67 2jdc s HIS 138 CO 0.40 0.13 0.16 -1.50 -0.85 0.00 0.00 174.74 173.08 2jdc s ILE 139 N -3.23 -0.01 0.12 0.60 2.07 0.51 -1.03 121.20 120.24 2jdc s ILE 139 Ca 0.17 0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 59.13 2jdc s ILE 139 Cb 0.02 -0.24 -0.09 0.00 0.13 0.00 0.00 42.46 42.28 2jdc s ILE 139 CO 0.02 0.01 1.50 -0.22 -1.91 0.00 0.00 174.94 174.34 2jdc s LEU 140 N 0.29 4.37 0.05 8.50 2.96 -1.25 -0.95 118.68 132.65 2jdc s LEU 140 Ca -0.02 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 2jdc s LEU 140 Cb -0.03 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2jdc s LEU 140 CO -0.01 -0.76 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.11 2jdc s MET 141 N 1.44 0.70 0.08 1.98 -1.94 0.22 -0.90 119.30 120.89 2jdc s MET 141 Ca 0.68 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.75 2jdc s MET 141 Cb -0.40 -0.61 -0.00 0.00 2.01 0.00 0.00 34.83 35.83 2jdc s MET 141 CO 0.31 0.13 0.19 1.52 -0.01 0.00 0.00 175.02 177.16 2jdc s TYR 142 N -1.21 0.14 -0.06 -0.03 1.13 -0.22 -0.46 117.35 116.63 2jdc s TYR 142 Ca -0.05 -0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 55.07 2jdc s TYR 142 Cb -0.09 -0.06 0.03 0.00 -1.10 0.00 0.00 41.96 40.74 2jdc s TYR 142 CO 0.01 -0.52 -0.00 0.21 -2.51 0.00 0.00 175.55 172.74 2jdc s LYS 143 N -3.66 0.56 0.07 -3.49 2.20 0.10 -0.62 119.74 114.90 2jdc s LYS 143 Ca 0.03 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 2jdc s LYS 143 Cb 0.04 -0.85 -0.05 0.00 -1.51 0.00 0.00 37.83 35.46 2jdc s LYS 143 CO -0.10 -0.24 1.09 0.50 -0.36 0.00 0.00 175.35 176.24 2jdc s ARG 144 N 1.68 4.53 -0.08 4.03 3.52 -1.26 -1.20 118.95 130.16 2jdc s ARG 144 Ca 0.00 1.62 0.12 0.00 -0.13 0.00 0.00 55.73 57.34 2jdc s ARG 144 Cb -0.13 -3.37 0.18 0.00 -1.56 0.00 0.00 34.95 30.07 2jdc s ARG 144 CO -0.04 -0.09 1.10 0.44 -0.81 0.00 0.00 175.30 175.90 2jdc n ILE 145 N 3.53 1.56 1.27 4.11 -5.35 -0.57 -4.97 119.36 118.94 2jdc n ILE 145 Ca 0.06 -1.79 0.13 0.00 -0.27 0.00 0.00 62.75 60.88 2jdc n ILE 145 Cb 0.48 0.04 0.33 0.00 -1.74 0.00 0.00 39.64 38.75 2jdc n ILE 145 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14