#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjs s GLU 2 N 0.00 2.42 0.61 3.49 0.41 -1.26 -5.12 118.70 119.25 2jjs s GLU 2 Ca 0.00 -1.15 -0.18 0.00 -0.41 0.00 0.00 54.97 53.23 2jjs s GLU 2 Cb 0.00 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.99 2jjs s GLU 2 CO 0.00 0.44 1.16 -1.21 -0.49 0.00 0.00 175.26 175.15 2jjs s GLU 3 N -3.11 2.96 0.23 1.61 2.02 -1.26 -4.98 118.70 116.17 2jjs s GLU 3 Ca 0.28 1.64 -0.31 0.00 0.02 0.00 0.00 54.97 56.60 2jjs s GLU 3 Cb -0.09 -1.95 -0.12 0.00 0.10 0.00 0.00 34.13 32.08 2jjs s GLU 3 CO 0.19 -1.17 1.67 -1.17 0.02 0.00 0.00 175.26 174.81 2jjs s LEU 4 N -4.30 4.36 -0.04 1.80 0.20 -1.26 -4.92 118.68 114.51 2jjs s LEU 4 Ca 0.73 2.87 0.04 0.00 0.69 0.00 0.00 54.13 58.46 2jjs s LEU 4 Cb -0.26 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.87 2jjs s LEU 4 CO 0.34 -0.94 -0.16 -1.10 -0.29 0.00 0.00 176.35 174.20 2jjs s GLN 5 N 0.70 2.43 -0.29 1.98 -0.21 -1.26 -5.00 119.66 118.01 2jjs s GLN 5 Ca 0.71 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 55.29 2jjs s GLN 5 Cb -0.49 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.22 2jjs s GLN 5 CO 0.36 0.61 0.07 0.08 -2.12 0.00 0.00 175.29 174.29 2jjs s VAL 6 N -0.71 3.85 -0.29 1.09 1.01 -1.26 -2.14 120.40 121.95 2jjs s VAL 6 Ca 0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2jjs s VAL 6 Cb -0.10 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2jjs s VAL 6 CO 0.00 0.08 0.03 -0.63 0.00 0.00 0.00 175.10 174.58 2jjs s ILE 7 N 1.48 3.52 -0.45 2.22 1.01 0.58 -4.33 121.20 125.22 2jjs s ILE 7 Ca 0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 2jjs s ILE 7 Cb -0.17 -2.85 0.10 0.00 0.01 0.00 0.00 42.46 39.55 2jjs s ILE 7 CO 0.02 0.06 0.31 -1.10 0.00 0.00 0.00 174.94 174.24 2jjs s GLN 8 N 1.41 2.55 0.50 2.79 -0.21 -1.26 -1.08 119.66 124.36 2jjs s GLN 8 Ca 0.01 -1.63 0.31 0.00 0.02 0.00 0.00 55.36 54.06 2jjs s GLN 8 Cb -0.18 -3.88 1.13 0.00 1.00 0.00 0.00 33.01 31.09 2jjs s GLN 8 CO 0.00 -1.10 1.89 -1.00 -2.12 0.00 0.00 175.29 172.96 2jjs h PRO 9 N 8.45 0.00 -4.93 2.91 0.13 -1.95 -3.43 132.00 133.17 2jjs h PRO 9 Ca -0.22 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.26 2jjs h PRO 9 Cb 1.08 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.98 2jjs h PRO 9 CO 0.82 0.00 -0.62 -0.51 -0.23 0.00 0.00 178.00 177.46 2jjs s ASP 10 N -5.66 5.15 0.26 1.44 1.01 -1.26 -4.98 116.67 112.64 2jjs s ASP 10 Ca 0.03 -0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.05 2jjs s ASP 10 Cb 0.08 -1.93 0.35 0.00 1.01 0.00 0.00 42.92 42.44 2jjs s ASP 10 CO 0.56 -0.05 1.69 0.11 0.21 0.00 0.00 175.17 177.69 2jjs h LYS 11 N 8.24 0.53 -3.55 8.23 1.79 -1.82 -3.39 116.57 126.61 2jjs h LYS 11 Ca -0.38 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 57.77 2jjs h LYS 11 Cb 1.17 -0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 31.62 2jjs h LYS 11 CO 0.58 0.75 -0.38 -1.54 -1.08 0.00 0.00 179.45 177.79 2jjs s SER 12 N -6.81 0.02 -0.01 0.86 1.04 -1.26 -0.97 113.70 106.58 2jjs s SER 12 Ca -0.07 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.00 2jjs s SER 12 Cb 0.13 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2jjs s SER 12 CO 0.80 -0.57 -0.01 -0.69 0.98 0.00 0.00 173.24 173.75 2jjs s VAL 13 N -2.62 0.14 -0.12 5.02 1.01 -0.34 -4.91 120.40 118.58 2jjs s VAL 13 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2jjs s VAL 13 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 2jjs s VAL 13 CO -0.04 0.07 -0.16 -0.55 0.00 0.00 0.00 175.10 174.41 2jjs s SER 14 N 0.26 3.75 -0.03 3.32 0.15 -1.26 -1.24 113.70 118.65 2jjs s SER 14 Ca -0.02 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.26 2jjs s SER 14 Cb -0.04 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 2jjs s SER 14 CO -0.01 0.17 -0.11 -0.69 1.20 0.00 0.00 173.24 173.80 2jjs s VAL 15 N 0.34 0.92 0.25 4.45 1.01 -0.51 -4.99 120.40 121.87 2jjs s VAL 15 Ca -0.13 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2jjs s VAL 15 Cb -0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 2jjs s VAL 15 CO 0.07 0.28 1.17 0.00 0.00 0.00 0.00 175.10 176.62 2jjs s ALA 16 N 0.22 3.43 0.19 5.51 0.00 -1.26 -0.59 121.76 129.27 2jjs s ALA 16 Ca -0.04 0.97 -0.33 0.00 0.00 0.00 0.00 51.96 52.56 2jjs s ALA 16 Cb -0.10 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 2jjs s ALA 16 CO 0.01 -0.32 1.48 0.00 0.00 0.00 0.00 175.76 176.94 2jjs n ALA 17 N 1.66 1.11 0.00 0.00 0.00 -0.54 -1.34 120.51 121.41 2jjs n ALA 17 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2jjs n ALA 17 Cb 0.44 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2jjs n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjs n GLY 18 N 2.77 3.32 3.94 0.00 0.00 0.86 -4.93 105.19 111.16 2jjs n GLY 18 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2jjs n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjs s GLU 19 N -0.68 1.16 -0.02 1.61 0.41 -0.45 -4.28 118.70 116.45 2jjs s GLU 19 Ca 0.00 -0.48 -0.09 0.00 -0.41 0.00 0.00 54.97 53.98 2jjs s GLU 19 Cb 0.00 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2jjs s GLU 19 CO 0.00 -2.00 0.29 -1.12 -0.49 0.00 0.00 175.26 171.93 2jjs s SER 20 N -4.79 6.58 -0.13 -0.19 0.01 -1.26 -1.35 113.70 112.56 2jjs s SER 20 Ca 0.70 0.68 -0.06 0.00 1.31 0.00 0.00 55.95 58.57 2jjs s SER 20 Cb -0.06 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2jjs s SER 20 CO 0.50 0.31 0.10 0.00 0.41 0.00 0.00 173.24 174.56 2jjs s ALA 21 N -1.17 3.67 -0.23 1.44 0.00 -0.05 -4.92 121.76 120.50 2jjs s ALA 21 Ca 0.24 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2jjs s ALA 21 Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 2jjs s ALA 21 CO 0.12 0.52 -0.02 0.42 0.00 0.00 0.00 175.76 176.80 2jjs s ILE 22 N -0.70 3.49 -0.23 0.00 -1.09 -1.26 -0.50 121.20 120.91 2jjs s ILE 22 Ca 0.13 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 58.00 2jjs s ILE 22 Cb -0.12 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2jjs s ILE 22 CO 0.03 0.37 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.32 2jjs s LEU 23 N 1.49 3.04 0.09 2.97 1.43 -0.03 -4.98 118.68 122.68 2jjs s LEU 23 Ca 0.05 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 2jjs s LEU 23 Cb -0.15 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 2jjs s LEU 23 CO -0.02 -0.04 0.59 -1.00 0.23 0.00 0.00 176.35 176.10 2jjs s HIS 24 N 1.48 3.81 -0.23 0.29 3.76 -1.26 -0.88 115.29 122.26 2jjs s HIS 24 Ca 0.05 1.30 -0.16 0.00 -0.15 0.00 0.00 55.06 56.11 2jjs s HIS 24 Cb -0.15 -2.52 0.07 0.00 1.11 0.00 0.00 32.58 31.09 2jjs s HIS 24 CO -0.02 0.58 0.58 0.00 -0.85 0.00 0.00 174.74 175.02 2jjs s THR 26 N 1.10 1.22 0.18 0.00 -4.23 -0.24 0.06 115.64 113.73 2jjs s THR 26 Ca -0.06 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 2jjs s THR 26 Cb -0.06 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 2jjs s THR 26 CO -0.11 -0.58 -0.16 0.68 -0.54 0.00 0.00 174.62 173.92 2jjs s VAL 27 N -2.68 2.84 -0.97 2.29 -7.23 -0.48 -0.31 120.40 113.87 2jjs s VAL 27 Ca 0.12 -1.77 0.22 0.00 -1.81 0.00 0.00 61.98 58.74 2jjs s VAL 27 Cb -0.02 -2.38 -0.18 0.00 0.56 0.00 0.00 36.38 34.37 2jjs s VAL 27 CO 0.02 -0.08 1.01 0.35 -0.31 0.00 0.00 175.10 176.08 2jjs n THR 28 N 0.23 0.00 -3.81 5.32 -2.24 -0.91 -4.87 114.28 108.00 2jjs n THR 28 Ca -0.12 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 2jjs n THR 28 Cb 0.55 0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 69.49 2jjs n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jjs s SER 29 N -3.06 -0.06 0.00 3.42 0.15 -1.26 -4.93 113.70 107.96 2jjs s SER 29 Ca 0.08 -0.16 0.22 0.00 0.70 0.00 0.00 55.95 56.79 2jjs s SER 29 Cb 0.16 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.70 2jjs s SER 29 CO 0.83 -0.48 1.04 0.18 1.20 0.00 0.00 173.24 176.01 2jjs n LEU 30 N 1.05 1.81 -4.53 3.45 4.77 -1.26 -4.92 117.00 117.37 2jjs n LEU 30 Ca -0.21 -0.70 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 2jjs n LEU 30 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 2jjs n LEU 30 CO 0.22 0.35 -0.44 0.27 -1.33 0.00 0.00 177.39 176.46 2jjs s ILE 31 N -2.58 2.97 0.76 -0.08 -4.36 -1.26 -4.46 121.20 112.19 2jjs s ILE 31 Ca 0.16 -1.76 -0.13 0.00 -0.26 0.00 0.00 60.65 58.67 2jjs s ILE 31 Cb 0.18 -2.46 0.05 0.00 1.25 0.00 0.00 42.46 41.48 2jjs s ILE 31 CO 0.63 -0.11 1.13 -2.16 0.24 0.00 0.00 174.94 174.67 2jjs s PRO 32 N -2.79 2.15 0.19 0.37 0.04 -1.26 -4.81 135.00 128.89 2jjs s PRO 32 Ca 0.24 1.43 -0.32 0.00 0.04 0.00 0.00 61.00 62.39 2jjs s PRO 32 Cb -0.09 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2jjs s PRO 32 CO 0.14 -1.76 1.68 0.08 0.04 0.00 0.00 177.00 177.18 2jjs s VAL 33 N -2.50 2.26 0.00 -0.36 1.01 -1.26 -4.92 120.40 114.63 2jjs s VAL 33 Ca 0.67 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2jjs s VAL 33 Cb -0.22 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2jjs s VAL 33 CO 0.50 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2jjs n GLY 34 N 3.93 3.48 3.89 4.51 0.00 -1.26 -3.02 105.19 116.72 2jjs n GLY 34 Ca 0.15 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2jjs n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jjs s PRO 35 N -2.21 3.15 -0.13 1.61 0.04 -1.23 -4.69 135.00 131.54 2jjs s PRO 35 Ca 0.00 0.41 -0.09 0.00 0.04 0.00 0.00 61.00 61.35 2jjs s PRO 35 Cb 0.00 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2jjs s PRO 35 CO 0.00 -0.74 0.18 0.42 0.04 0.00 0.00 177.00 176.91 2jjs s ILE 36 N -3.16 5.41 0.06 0.56 -1.09 -1.26 -0.76 121.20 120.96 2jjs s ILE 36 Ca 0.55 0.31 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 2jjs s ILE 36 Cb -0.11 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 2jjs s ILE 36 CO 0.50 0.54 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.54 2jjs s GLN 37 N -0.47 0.70 -0.10 2.79 -0.21 -0.11 -4.58 119.66 117.68 2jjs s GLN 37 Ca 0.14 -0.90 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 2jjs s GLN 37 Cb -0.12 -0.56 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 2jjs s GLN 37 CO 0.03 0.11 0.03 -1.58 -2.12 0.00 0.00 175.29 171.77 2jjs s TRP 38 N -1.49 3.24 0.12 0.91 0.52 -0.03 -0.31 118.94 121.89 2jjs s TRP 38 Ca -0.04 0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.36 2jjs s TRP 38 Cb -0.09 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 2jjs s TRP 38 CO 0.01 0.46 -0.16 -0.06 0.02 0.00 0.00 176.95 177.22 2jjs s PHE 39 N -0.73 1.51 -0.26 -1.98 0.08 -0.20 -0.50 117.98 115.92 2jjs s PHE 39 Ca 0.12 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 2jjs s PHE 39 Cb -0.12 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 2jjs s PHE 39 CO 0.02 0.17 0.20 0.50 -0.10 0.00 0.00 175.22 176.02 2jjs s ARG 40 N -2.38 4.01 0.00 0.44 3.52 -0.06 -0.43 118.95 124.04 2jjs s ARG 40 Ca 0.08 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2jjs s ARG 40 Cb -0.07 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 2jjs s ARG 40 CO 0.04 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 2jjs n GLY 41 N 4.68 -1.17 3.45 8.12 0.00 0.10 -1.49 105.19 118.88 2jjs n GLY 41 Ca -0.14 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 2jjs n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjs s ALA 42 N -1.54 2.50 0.00 4.61 0.00 -1.26 -4.72 121.76 121.36 2jjs s ALA 42 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2jjs s ALA 42 Cb 0.00 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jjs s ALA 42 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2jjs n GLY 43 N -0.76 -2.37 0.30 0.00 0.00 -1.26 -4.19 105.19 96.91 2jjs n GLY 43 Ca -0.03 -1.57 0.18 0.00 0.00 0.00 0.00 46.02 44.60 2jjs n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jjs h PRO 44 N 0.00 0.00 -0.62 1.61 0.13 -2.03 -2.15 132.00 128.94 2jjs h PRO 44 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jjs h PRO 44 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jjs h PRO 44 CO 0.00 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 2jjs n ALA 45 N -2.16 3.06 -1.64 -0.56 0.00 -1.26 -5.01 120.51 112.94 2jjs n ALA 45 Ca -0.02 -1.63 -0.35 0.00 0.00 0.00 0.00 53.44 51.45 2jjs n ALA 45 Cb 0.19 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.71 2jjs n ALA 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2jjs s ARG 46 N -1.87 2.87 -0.25 0.00 1.70 -0.81 -4.99 118.95 115.60 2jjs s ARG 46 Ca 0.50 1.69 -0.09 0.00 -0.47 0.00 0.00 55.73 57.36 2jjs s ARG 46 Cb 0.32 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.73 2jjs s ARG 46 CO 0.24 -1.25 0.13 -2.00 -1.08 0.00 0.00 175.30 171.33 2jjs s GLU 47 N -3.57 3.89 -0.02 3.89 2.12 -0.56 -4.95 118.70 119.51 2jjs s GLU 47 Ca 0.74 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 2jjs s GLU 47 Cb -0.27 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.59 2jjs s GLU 47 CO 0.36 -0.06 1.61 -1.17 -0.54 0.00 0.00 175.26 175.45 2jjs s LEU 48 N 1.36 4.33 -0.18 2.70 2.96 -1.26 -0.88 118.68 127.71 2jjs s LEU 48 Ca 0.06 2.27 0.08 0.00 -0.22 0.00 0.00 54.13 56.33 2jjs s LEU 48 Cb -0.15 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.83 2jjs s LEU 48 CO 0.06 -0.88 -0.05 -0.38 -1.32 0.00 0.00 176.35 173.78 2jjs n ILE 49 N 5.15 1.13 -3.63 6.68 2.08 0.35 -4.93 119.36 126.18 2jjs n ILE 49 Ca 0.16 -0.57 -0.12 0.00 0.56 0.00 0.00 62.75 62.78 2jjs n ILE 49 Cb 0.42 -0.87 -0.07 0.00 -0.75 0.00 0.00 39.64 38.38 2jjs n ILE 49 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 2jjs s TYR 50 N -2.40 -0.70 0.35 1.39 5.04 -1.07 -4.86 117.35 115.12 2jjs s TYR 50 Ca -0.17 1.69 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 2jjs s TYR 50 Cb 0.06 0.31 -0.00 0.00 0.35 0.00 0.00 41.96 42.67 2jjs s TYR 50 CO 0.57 -0.34 0.44 0.54 -1.34 0.00 0.00 175.55 175.42 2jjs s ASN 51 N 0.37 1.25 0.00 4.32 2.20 -1.26 -0.85 114.94 120.97 2jjs s ASN 51 Ca 0.01 -1.61 0.31 0.00 -0.94 0.00 0.00 52.86 50.62 2jjs s ASN 51 Cb -0.05 0.65 1.67 0.00 -2.00 0.00 0.00 41.25 41.52 2jjs s ASN 51 CO -0.02 -1.27 2.11 0.00 -2.94 0.00 0.00 177.10 174.98 2jjs n GLN 52 N -0.61 0.66 -2.26 3.55 6.02 -1.26 -4.85 117.38 118.63 2jjs n GLN 52 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2jjs n GLN 52 Cb 0.61 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 2jjs n GLN 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jjs s LYS 53 N -2.34 4.34 0.27 -1.09 1.02 -1.26 -4.94 119.74 115.75 2jjs s LYS 53 Ca 0.36 1.96 -0.31 0.00 0.02 0.00 0.00 55.97 58.00 2jjs s LYS 53 Cb 0.21 -3.36 -0.12 0.00 -0.52 0.00 0.00 37.83 34.04 2jjs s LYS 53 CO 0.42 -0.42 1.63 -1.91 -0.92 0.00 0.00 175.35 174.14 2jjs n GLU 54 N 4.32 2.72 -1.09 1.68 2.13 -1.26 -3.79 120.64 125.35 2jjs n GLU 54 Ca 0.11 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.90 2jjs n GLU 54 Cb 0.44 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.38 2jjs n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jjs n GLY 55 N 2.59 0.42 0.01 8.31 0.00 -1.26 -4.96 105.19 110.31 2jjs n GLY 55 Ca 0.10 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.16 2jjs n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jjs n HIS 56 N -3.08 0.00 -3.50 1.61 8.25 -1.25 -4.87 115.22 112.38 2jjs n HIS 56 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2jjs n HIS 56 Cb 0.08 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 30.82 2jjs n HIS 56 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2jjs n PHE 57 N -1.92 0.17 0.32 4.41 3.72 -1.26 -4.99 117.46 117.91 2jjs n PHE 57 Ca -0.04 -3.57 0.20 0.00 -0.05 0.00 0.00 57.45 53.99 2jjs n PHE 57 Cb 0.34 0.01 1.08 0.00 -0.94 0.00 0.00 39.48 39.97 2jjs n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jjs h PRO 58 N 5.47 0.00 0.00 -1.08 0.13 -1.96 -1.59 132.00 132.97 2jjs h PRO 58 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2jjs h PRO 58 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2jjs h PRO 58 CO 0.47 0.01 -0.60 0.54 -0.23 0.00 0.00 178.00 178.19 2jjs n ARG 59 N -3.27 0.02 -4.66 0.86 1.74 -1.26 -4.96 116.66 105.13 2jjs n ARG 59 Ca -0.03 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 2jjs n ARG 59 Cb 0.11 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 29.87 2jjs n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jjs s VAL 60 N -3.01 1.23 0.17 1.55 1.01 -0.60 -1.80 120.40 118.95 2jjs s VAL 60 Ca 0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2jjs s VAL 60 Cb 0.17 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2jjs s VAL 60 CO 0.73 0.37 0.24 0.28 0.00 0.00 0.00 175.10 176.72 2jjs s THR 61 N 0.51 0.06 0.35 3.92 -1.32 -1.05 -4.83 115.64 113.29 2jjs s THR 61 Ca -0.13 -1.55 -0.26 0.00 -1.21 0.00 0.00 61.69 58.54 2jjs s THR 61 Cb -0.15 -1.96 -0.09 0.00 -1.51 0.00 0.00 72.50 68.79 2jjs s THR 61 CO 0.04 -0.29 1.06 0.42 -2.21 0.00 0.00 174.62 173.63 2jjs s THR 62 N -4.00 3.68 0.09 5.08 -4.23 -1.26 -0.75 115.64 114.25 2jjs s THR 62 Ca 0.21 1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 61.99 2jjs s THR 62 Cb 0.04 -3.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.98 2jjs s THR 62 CO 0.02 0.15 1.45 0.58 -0.54 0.00 0.00 174.62 176.28 2jjs h VAL 63 N 2.55 1.30 -2.74 2.29 2.07 -1.52 -3.46 116.25 116.74 2jjs h VAL 63 Ca -0.48 -1.28 -0.44 0.00 0.82 0.00 0.00 66.70 65.32 2jjs h VAL 63 Cb 1.21 1.52 0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2jjs h VAL 63 CO 0.64 0.41 0.03 -0.94 0.02 0.00 0.00 177.57 177.73 2jjs s SER 64 N -6.34 5.09 -1.18 0.57 1.04 -1.26 -4.99 113.70 106.63 2jjs s SER 64 Ca -0.13 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 2jjs s SER 64 Cb 0.08 -0.84 0.08 0.00 0.10 0.00 0.00 66.02 65.44 2jjs s SER 64 CO 0.80 -1.30 1.58 -0.70 0.98 0.00 0.00 173.24 174.59 2jjs s GLU 65 N -4.90 3.86 0.00 4.02 2.12 -1.26 -4.78 118.70 117.75 2jjs s GLU 65 Ca 0.59 -1.78 0.21 0.00 0.36 0.00 0.00 54.97 54.35 2jjs s GLU 65 Cb -0.10 -5.39 1.17 0.00 0.26 0.00 0.00 34.13 30.07 2jjs s GLU 65 CO 0.40 -2.16 1.77 -1.13 -0.54 0.00 0.00 175.26 173.60 2jjs n SER 66 N 8.12 0.33 -0.06 -1.70 3.41 -1.26 -2.76 113.62 119.70 2jjs n SER 66 Ca 0.41 -1.40 0.14 0.00 -0.26 0.00 0.00 58.87 57.76 2jjs n SER 66 Cb 0.47 -0.02 0.66 0.00 -0.26 0.00 0.00 64.21 65.07 2jjs n SER 66 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jjs n THR 67 N -0.61 0.00 -3.26 6.66 -2.24 -1.26 -4.83 114.28 108.75 2jjs n THR 67 Ca 0.16 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 2jjs n THR 67 Cb 0.13 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 2jjs n THR 67 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jjs s LYS 68 N -2.56 4.25 0.32 -0.78 -0.14 -1.11 -4.99 119.74 114.72 2jjs s LYS 68 Ca 0.27 0.69 0.06 0.00 -1.36 0.00 0.00 55.97 55.64 2jjs s LYS 68 Cb 0.20 -3.30 0.71 0.00 -1.68 0.00 0.00 37.83 33.76 2jjs s LYS 68 CO 0.48 0.48 1.84 -0.09 -0.76 0.00 0.00 175.35 177.30 2jjs h ARG 69 N 5.24 0.79 -0.00 1.68 2.43 -1.91 -2.50 114.38 120.11 2jjs h ARG 69 Ca -0.47 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2jjs h ARG 69 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2jjs h ARG 69 CO 0.67 0.52 -0.09 -0.85 -1.51 0.00 0.00 179.97 178.72 2jjs n GLU 70 N -4.62 0.11 -1.68 0.20 0.00 -1.26 -4.89 120.64 108.50 2jjs n GLU 70 Ca 0.19 -0.02 -0.46 0.00 0.00 0.00 0.00 57.16 56.88 2jjs n GLU 70 Cb 0.46 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.36 2jjs n GLU 70 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2jjs n ASN 71 N -1.43 3.28 -0.11 -1.84 5.15 -0.94 -4.89 115.26 114.47 2jjs n ASN 71 Ca 0.08 1.06 0.01 0.00 -0.60 0.00 0.00 54.58 55.14 2jjs n ASN 71 Cb 0.32 -1.44 0.02 0.00 -0.53 0.00 0.00 39.78 38.15 2jjs n ASN 71 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2jjs n MET 72 N 4.01 1.12 -3.55 1.20 2.81 -1.26 -5.01 117.12 116.44 2jjs n MET 72 Ca 0.18 -1.11 -0.39 0.00 -1.81 0.00 0.00 57.70 54.56 2jjs n MET 72 Cb 0.30 -1.05 -0.11 0.00 -0.71 0.00 0.00 33.22 31.65 2jjs n MET 72 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jjs s ASP 73 N -0.59 6.04 -0.18 7.83 2.15 -1.26 -1.38 116.67 129.28 2jjs s ASP 73 Ca 0.04 -0.27 0.17 0.00 0.43 0.00 0.00 52.55 52.91 2jjs s ASP 73 Cb 0.02 -2.13 0.46 0.00 -0.30 0.00 0.00 42.92 40.97 2jjs s ASP 73 CO 0.03 -0.17 1.35 0.49 -0.17 0.00 0.00 175.17 176.70 2jjs n PHE 74 N 5.09 0.68 -1.88 -5.34 3.72 0.11 -4.69 117.46 115.15 2jjs n PHE 74 Ca -0.13 -0.99 -0.40 0.00 -0.05 0.00 0.00 57.45 55.89 2jjs n PHE 74 Cb 0.51 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 2jjs n PHE 74 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jjs s SER 75 N -2.27 5.99 0.17 4.37 0.01 -1.06 -4.54 113.70 116.36 2jjs s SER 75 Ca 0.40 2.83 0.08 0.00 1.31 0.00 0.00 55.95 60.57 2jjs s SER 75 Cb 0.33 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2jjs s SER 75 CO 0.06 -1.09 -0.18 0.27 0.41 0.00 0.00 173.24 172.71 2jjs s ILE 76 N -1.23 1.80 -0.09 1.44 -4.36 -0.06 -1.30 121.20 117.40 2jjs s ILE 76 Ca 0.60 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2jjs s ILE 76 Cb -0.42 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 2jjs s ILE 76 CO 0.53 -0.34 -0.10 -0.94 0.24 0.00 0.00 174.94 174.34 2jjs s SER 77 N -2.70 4.33 -0.18 4.36 1.04 0.07 -0.85 113.70 119.77 2jjs s SER 77 Ca 0.16 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2jjs s SER 77 Cb -0.05 -1.30 0.01 0.00 0.10 0.00 0.00 66.02 64.78 2jjs s SER 77 CO 0.07 0.27 -0.18 -0.63 0.98 0.00 0.00 173.24 173.75 2jjs s ILE 78 N -0.28 2.28 0.47 -1.02 1.01 0.34 -2.53 121.20 121.47 2jjs s ILE 78 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2jjs s ILE 78 Cb -0.13 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 2jjs s ILE 78 CO 0.03 0.52 0.88 -0.94 0.00 0.00 0.00 174.94 175.42 2jjs s SER 79 N 1.25 6.53 -1.21 3.58 1.04 -0.74 -0.88 113.70 123.27 2jjs s SER 79 Ca 0.03 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 2jjs s SER 79 Cb -0.14 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2jjs s SER 79 CO -0.10 -0.52 0.90 0.59 0.98 0.00 0.00 173.24 175.09 2jjs n ASN 80 N -1.57 -2.42 -4.74 7.02 5.03 -1.20 -4.90 115.26 112.48 2jjs n ASN 80 Ca 0.04 -0.70 -0.42 0.00 0.87 0.00 0.00 54.58 54.38 2jjs n ASN 80 Cb 0.54 -4.78 -0.02 0.00 -1.02 0.00 0.00 39.78 34.50 2jjs n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jjs s ILE 81 N -3.46 2.28 0.31 2.41 -1.09 -0.46 -4.74 121.20 116.46 2jjs s ILE 81 Ca 0.07 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.78 2jjs s ILE 81 Cb -0.01 -3.15 -0.06 0.00 -1.58 0.00 0.00 42.46 37.66 2jjs s ILE 81 CO 0.76 0.03 -0.03 0.42 -1.23 0.00 0.00 174.94 174.89 2jjs s THR 82 N 0.35 1.67 0.54 2.92 -4.23 -1.26 -0.10 115.64 115.53 2jjs s THR 82 Ca 0.65 -2.09 0.31 0.00 -1.18 0.00 0.00 61.69 59.38 2jjs s THR 82 Cb -0.46 -2.62 0.47 0.00 1.34 0.00 0.00 72.50 71.23 2jjs s THR 82 CO 0.42 -0.19 1.90 -0.65 -0.54 0.00 0.00 174.62 175.56 2jjs h PRO 83 N 2.15 0.00 0.00 3.99 0.11 -1.96 0.13 132.00 136.42 2jjs h PRO 83 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2jjs h PRO 83 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2jjs h PRO 83 CO 0.70 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 2jjs h ALA 84 N 1.56 1.00 -0.01 -0.75 0.00 -2.00 -2.24 119.26 116.83 2jjs h ALA 84 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2jjs h ALA 84 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2jjs h ALA 84 CO -0.00 0.00 -0.16 -0.25 0.00 0.00 0.00 179.25 178.84 2jjs n ASP 85 N -2.86 0.70 -4.77 0.00 8.00 0.03 -4.93 116.55 112.73 2jjs n ASP 85 Ca -0.02 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 2jjs n ASP 85 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 2jjs n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjs s ALA 86 N -2.46 3.26 0.00 2.24 0.00 -0.84 -4.92 121.76 119.04 2jjs s ALA 86 Ca 0.28 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2jjs s ALA 86 Cb 0.20 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2jjs s ALA 86 CO 0.48 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2jjs n GLY 87 N 0.59 -1.64 3.68 0.00 0.00 -0.93 -5.00 105.19 101.90 2jjs n GLY 87 Ca 0.05 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2jjs n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjs s THR 88 N -1.88 5.37 -0.14 2.61 2.01 -1.26 -0.52 115.64 121.83 2jjs s THR 88 Ca 0.00 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2jjs s THR 88 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2jjs s THR 88 CO 0.00 0.38 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.94 2jjs s TYR 89 N 0.82 2.99 -0.08 4.92 2.02 -0.18 0.02 117.35 127.86 2jjs s TYR 89 Ca 0.08 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 2jjs s TYR 89 Cb -0.13 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2jjs s TYR 89 CO 0.02 -0.03 -0.20 0.71 -1.57 0.00 0.00 175.55 174.48 2jjs s TYR 90 N 0.26 2.60 -0.30 2.71 2.02 0.42 -1.22 117.35 123.84 2jjs s TYR 90 Ca -0.04 -0.65 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 2jjs s TYR 90 Cb -0.14 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2jjs s TYR 90 CO 0.03 -0.17 0.46 0.00 -1.57 0.00 0.00 175.55 174.30 2jjs s VAL 92 N 2.24 1.42 -0.01 0.00 1.01 0.57 -0.67 120.40 124.95 2jjs s VAL 92 Ca 0.18 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2jjs s VAL 92 Cb -0.16 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2jjs s VAL 92 CO 0.11 0.42 0.64 -0.75 0.00 0.00 0.00 175.10 175.52 2jjs s LYS 93 N 0.89 4.38 0.19 2.72 2.47 0.35 -0.93 119.74 129.80 2jjs s LYS 93 Ca -0.09 0.81 0.09 0.00 -1.56 0.00 0.00 55.97 55.22 2jjs s LYS 93 Cb -0.15 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.81 2jjs s LYS 93 CO 0.00 0.29 -0.07 -0.06 0.16 0.00 0.00 175.35 175.67 2jjs s PHE 94 N 0.05 2.67 0.06 4.03 0.08 0.06 -0.40 117.98 124.54 2jjs s PHE 94 Ca 0.33 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.20 2jjs s PHE 94 Cb -0.18 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2jjs s PHE 94 CO 0.18 0.52 0.06 1.03 -0.10 0.00 0.00 175.22 176.92 2jjs s ARG 95 N -2.91 2.86 0.49 0.44 0.52 0.21 -3.53 118.95 117.02 2jjs s ARG 95 Ca 0.26 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.58 2jjs s ARG 95 Cb -0.09 -2.72 -0.08 0.00 0.52 0.00 0.00 34.95 32.59 2jjs s ARG 95 CO 0.16 0.58 1.09 0.15 0.02 0.00 0.00 175.30 177.29 2jjs s LYS 96 N -2.23 3.70 0.00 3.54 -0.14 -1.17 -1.47 119.74 121.98 2jjs s LYS 96 Ca 0.27 1.52 0.00 0.00 -1.36 0.00 0.00 55.97 56.40 2jjs s LYS 96 Cb -0.12 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2jjs s LYS 96 CO 0.20 -0.54 0.00 0.41 -0.76 0.00 0.00 175.35 174.65 2jjs n GLY 97 N 0.05 -1.26 2.97 -3.33 0.00 -1.26 -4.76 105.19 97.60 2jjs n GLY 97 Ca 0.09 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2jjs n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jjs s SER 98 N -2.21 5.02 0.70 1.61 0.01 -1.26 -2.70 113.70 114.87 2jjs s SER 98 Ca 0.00 -3.60 0.01 0.00 1.31 0.00 0.00 55.95 53.67 2jjs s SER 98 Cb 0.00 -1.71 0.12 0.00 0.21 0.00 0.00 66.02 64.63 2jjs s SER 98 CO 0.00 -0.15 0.96 -2.16 0.41 0.00 0.00 173.24 172.30 2jjs s PRO 99 N -1.11 1.79 0.59 12.44 0.04 -1.26 -5.14 135.00 142.34 2jjs s PRO 99 Ca 0.23 -1.16 -0.20 0.00 0.04 0.00 0.00 61.00 59.91 2jjs s PRO 99 Cb -0.10 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2jjs s PRO 99 CO -0.12 -1.35 1.28 -0.51 0.04 0.00 0.00 177.00 176.35 2jjs s ASP 100 N -4.71 5.08 0.02 6.66 1.01 -1.10 -4.96 116.67 118.67 2jjs s ASP 100 Ca 0.65 2.59 0.08 0.00 0.71 0.00 0.00 52.55 56.59 2jjs s ASP 100 Cb -0.06 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2jjs s ASP 100 CO 0.43 -1.68 -0.25 0.42 0.21 0.00 0.00 175.17 174.31 2jjs s THR 101 N -1.42 1.97 0.21 -1.27 -4.23 -0.54 -4.89 115.64 105.47 2jjs s THR 101 Ca 0.76 -1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.72 2jjs s THR 101 Cb -0.36 -1.68 -0.11 0.00 1.34 0.00 0.00 72.50 71.69 2jjs s THR 101 CO 0.40 0.39 1.62 -0.70 -0.54 0.00 0.00 174.62 175.79 2jjs s GLU 102 N -1.01 4.17 -0.19 3.99 2.12 -1.26 -0.62 118.70 125.89 2jjs s GLU 102 Ca 0.10 2.49 -0.10 0.00 0.36 0.00 0.00 54.97 57.82 2jjs s GLU 102 Cb -0.10 -3.10 -0.08 0.00 0.26 0.00 0.00 34.13 31.12 2jjs s GLU 102 CO 0.01 -0.65 -0.25 0.34 -0.54 0.00 0.00 175.26 174.17 2jjs n PHE 103 N 3.49 0.00 -3.68 5.30 7.35 0.47 -4.81 117.46 125.58 2jjs n PHE 103 Ca 0.13 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.68 2jjs n PHE 103 Cb 0.37 -0.68 -0.08 0.00 0.35 0.00 0.00 39.48 39.44 2jjs n PHE 103 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2jjs s LYS 104 N -2.38 0.68 0.02 -4.13 2.20 -0.97 -5.02 119.74 110.14 2jjs s LYS 104 Ca -0.27 0.81 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 2jjs s LYS 104 Cb 0.10 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 2jjs s LYS 104 CO 0.34 -0.08 -0.00 0.45 -0.36 0.00 0.00 175.35 175.70 2jjs s SER 105 N 0.31 5.07 1.01 1.43 0.15 -1.26 -0.49 113.70 119.91 2jjs s SER 105 Ca -0.00 -0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 2jjs s SER 105 Cb -0.04 -1.29 0.20 0.00 -1.71 0.00 0.00 66.02 63.18 2jjs s SER 105 CO 0.01 0.26 1.11 -0.83 1.20 0.00 0.00 173.24 174.99 2jjs s GLY 106 N -1.71 1.57 0.50 9.45 0.00 0.15 -4.78 107.32 112.50 2jjs s GLY 106 Ca 0.21 -0.53 0.31 0.00 0.00 0.00 0.00 44.72 44.71 2jjs s GLY 106 CO 0.12 0.12 1.91 0.00 0.00 0.00 0.00 173.10 175.25 2jjs h ALA 107 N -1.92 1.00 0.00 3.20 0.00 -1.87 -3.44 119.26 116.23 2jjs h ALA 107 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jjs h ALA 107 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jjs h ALA 107 CO 0.55 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2jjs n GLY 108 N 0.18 1.14 2.90 0.00 0.00 -1.26 -5.06 105.19 103.10 2jjs n GLY 108 Ca 0.01 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 2jjs n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjs s THR 109 N -2.24 0.98 -0.33 2.61 2.01 -0.36 -4.60 115.64 113.71 2jjs s THR 109 Ca 0.00 -0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 2jjs s THR 109 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2jjs s THR 109 CO 0.00 0.36 1.00 -0.70 -0.69 0.00 0.00 174.62 174.58 2jjs s GLU 110 N 1.67 4.01 -0.31 4.92 2.56 -0.14 -1.01 118.70 130.40 2jjs s GLU 110 Ca 0.04 0.89 -0.18 0.00 0.00 0.00 0.00 54.97 55.73 2jjs s GLU 110 Cb -0.13 -3.75 -0.02 0.00 2.00 0.00 0.00 34.13 32.24 2jjs s GLU 110 CO -0.07 -0.87 0.50 -1.17 -0.56 0.00 0.00 175.26 173.09 2jjs s LEU 111 N 3.49 4.20 -0.03 2.70 2.96 0.32 -1.20 118.68 131.13 2jjs s LEU 111 Ca 0.42 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2jjs s LEU 111 Cb -0.12 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2jjs s LEU 111 CO 0.15 -0.38 0.01 -0.94 -1.32 0.00 0.00 176.35 173.88 2jjs s SER 112 N 1.67 5.25 -0.13 3.68 1.04 -0.37 -2.18 113.70 122.67 2jjs s SER 112 Ca 0.19 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.71 2jjs s SER 112 Cb -0.15 -1.43 -0.00 0.00 0.10 0.00 0.00 66.02 64.53 2jjs s SER 112 CO 0.12 0.31 -0.19 -0.69 0.98 0.00 0.00 173.24 173.77 2jjs s VAL 113 N -1.04 2.46 -0.34 5.02 1.01 -1.26 -1.42 120.40 124.84 2jjs s VAL 113 Ca 0.18 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2jjs s VAL 113 Cb -0.12 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2jjs s VAL 113 CO 0.08 0.54 0.42 -0.13 0.00 0.00 0.00 175.10 176.01 2jjs s ARG 114 N 0.51 3.62 0.65 2.72 1.81 0.25 -4.92 118.95 123.59 2jjs s ARG 114 Ca -0.12 -0.28 -0.16 0.00 -1.72 0.00 0.00 55.73 53.45 2jjs s ARG 114 Cb -0.17 -3.79 -0.00 0.00 -0.45 0.00 0.00 34.95 30.54 2jjs s ARG 114 CO 0.05 -0.55 1.14 0.00 -0.68 0.00 0.00 175.30 175.26 2jjs s ALA 115 N 2.16 2.43 0.00 2.13 0.00 -1.26 -1.46 121.76 125.76 2jjs s ALA 115 Ca 0.15 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2jjs s ALA 115 Cb -0.16 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2jjs s ALA 115 CO 0.12 -1.32 0.00 0.36 0.00 0.00 0.00 175.76 174.92