#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 3.39 0.74 3.49 0.41 -1.26 -5.09 118.70 120.38 2jjs s GLU 2 Ca 0.00 -0.26 -0.12 0.00 -0.41 0.00 0.00 54.97 54.18 2jjs s GLU 2 Cb 0.00 -3.10 0.04 0.00 -1.78 0.00 0.00 34.13 29.29 2jjs s GLU 2 CO 0.00 0.72 1.11 -1.83 -0.49 0.00 0.00 175.26 174.77 2jjs s GLU 3 N -1.49 2.33 0.26 1.61 -1.05 -1.26 -4.96 118.70 114.13 2jjs s GLU 3 Ca 0.21 1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 56.03 2jjs s GLU 3 Cb -0.12 -1.90 -0.11 0.00 -0.44 0.00 0.00 34.13 31.56 2jjs s GLU 3 CO 0.11 -1.61 1.57 -1.17 0.95 0.00 0.00 175.26 175.12 2jjs s LEU 4 N -5.59 4.36 0.02 1.83 0.20 -1.26 -4.91 118.68 113.33 2jjs s LEU 4 Ca 0.64 2.84 0.08 0.00 0.69 0.00 0.00 54.13 58.38 2jjs s LEU 4 Cb -0.19 -3.62 -0.02 0.00 -0.43 0.00 0.00 46.19 41.92 2jjs s LEU 4 CO 0.51 -0.86 -0.24 -1.10 -0.29 0.00 0.00 176.35 174.37 2jjs s GLN 5 N -0.08 1.78 -0.28 1.98 -0.21 -1.26 -5.00 119.66 116.59 2jjs s GLN 5 Ca 0.64 -0.97 -0.08 0.00 0.02 0.00 0.00 55.36 54.98 2jjs s GLN 5 Cb -0.46 -1.84 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 2jjs s GLN 5 CO 0.43 0.49 0.09 0.08 -2.12 0.00 0.00 175.29 174.26 2jjs s VAL 6 N -0.70 4.28 -0.26 1.09 1.01 -1.26 -1.93 120.40 122.64 2jjs s VAL 6 Ca 0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2jjs s VAL 6 Cb -0.09 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2jjs s VAL 6 CO 0.01 0.21 -0.01 -0.63 0.00 0.00 0.00 175.10 174.67 2jjs s ILE 7 N 1.58 3.31 -0.44 2.22 1.01 0.62 -4.32 121.20 125.19 2jjs s ILE 7 Ca 0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2jjs s ILE 7 Cb -0.16 -2.66 0.11 0.00 0.01 0.00 0.00 42.46 39.76 2jjs s ILE 7 CO 0.04 0.21 0.28 -1.10 0.00 0.00 0.00 174.94 174.36 2jjs s GLN 8 N 1.41 2.35 0.50 2.79 -0.21 -1.26 -1.24 119.66 124.00 2jjs s GLN 8 Ca 0.02 -1.72 0.28 0.00 0.02 0.00 0.00 55.36 53.96 2jjs s GLN 8 Cb -0.16 -3.78 1.27 0.00 1.00 0.00 0.00 33.01 31.34 2jjs s GLN 8 CO -0.02 -1.10 1.98 -1.00 -2.12 0.00 0.00 175.29 173.02 2jjs h PRO 9 N 8.31 0.00 -4.96 2.91 0.13 -1.96 -3.43 132.00 133.00 2jjs h PRO 9 Ca -0.19 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.30 2jjs h PRO 9 Cb 1.07 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.99 2jjs h PRO 9 CO 0.79 0.14 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.60 2jjs s ASP 10 N -6.06 5.43 0.31 1.44 1.01 -1.26 -4.97 116.67 112.56 2jjs s ASP 10 Ca -0.01 -0.13 0.13 0.00 0.71 0.00 0.00 52.55 53.25 2jjs s ASP 10 Cb 0.11 -1.98 0.48 0.00 1.01 0.00 0.00 42.92 42.54 2jjs s ASP 10 CO 0.59 -0.02 1.67 0.11 0.21 0.00 0.00 175.17 177.73 2jjs h LYS 11 N 8.14 0.00 -3.08 8.23 1.57 -1.83 -3.39 116.57 126.21 2jjs h LYS 11 Ca -0.37 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 2jjs h LYS 11 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 2jjs h LYS 11 CO 0.58 0.53 -0.15 -1.54 -0.57 0.00 0.00 179.45 178.30 2jjs s SER 12 N -6.77 -0.24 -0.03 0.86 1.04 -1.26 -1.05 113.70 106.25 2jjs s SER 12 Ca -0.01 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2jjs s SER 12 Cb 0.13 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2jjs s SER 12 CO 0.74 -0.63 0.06 -0.69 0.98 0.00 0.00 173.24 173.70 2jjs s VAL 13 N -2.37 -0.02 -0.14 5.02 1.01 0.17 -4.88 120.40 119.19 2jjs s VAL 13 Ca -0.06 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2jjs s VAL 13 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 2jjs s VAL 13 CO -0.02 0.03 -0.05 -0.55 0.00 0.00 0.00 175.10 174.51 2jjs s SER 14 N 0.45 4.70 -0.04 3.32 0.15 -1.26 -1.27 113.70 119.75 2jjs s SER 14 Ca -0.04 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2jjs s SER 14 Cb -0.05 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2jjs s SER 14 CO -0.02 0.19 -0.13 -0.69 1.20 0.00 0.00 173.24 173.79 2jjs s VAL 15 N 0.24 1.10 0.25 4.45 1.01 -0.21 -4.98 120.40 122.25 2jjs s VAL 15 Ca -0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2jjs s VAL 15 Cb -0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 2jjs s VAL 15 CO 0.03 0.33 1.13 0.00 0.00 0.00 0.00 175.10 176.60 2jjs s ALA 16 N 0.19 3.41 0.27 5.51 0.00 -1.26 -0.93 121.76 128.95 2jjs s ALA 16 Ca -0.05 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2jjs s ALA 16 Cb -0.11 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 2jjs s ALA 16 CO 0.02 -0.25 1.48 0.00 0.00 0.00 0.00 175.76 177.01 2jjs n ALA 17 N 1.65 1.76 0.00 0.00 0.00 -0.32 -1.57 120.51 122.03 2jjs n ALA 17 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2jjs n ALA 17 Cb 0.45 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 2.01 3.25 3.93 0.00 0.00 0.41 -4.93 105.19 109.87 2jjs n GLY 18 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.56 1.63 0.06 1.61 0.41 -0.61 -4.25 118.70 116.99 2jjs s GLU 19 Ca 0.00 -0.32 -0.17 0.00 -0.41 0.00 0.00 54.97 54.08 2jjs s GLU 19 Cb 0.00 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.24 2jjs s GLU 19 CO 0.00 -1.69 0.51 -1.12 -0.49 0.00 0.00 175.26 172.46 2jjs s SER 20 N -4.67 6.93 -0.14 -0.19 0.01 -1.26 -1.10 113.70 113.27 2jjs s SER 20 Ca 0.65 1.12 -0.08 0.00 1.31 0.00 0.00 55.95 58.95 2jjs s SER 20 Cb -0.08 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2jjs s SER 20 CO 0.48 0.26 0.13 0.00 0.41 0.00 0.00 173.24 174.52 2jjs s ALA 21 N -1.17 3.80 -0.23 1.44 0.00 -0.17 -4.92 121.76 120.51 2jjs s ALA 21 Ca 0.29 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 2jjs s ALA 21 Cb -0.18 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2jjs s ALA 21 CO 0.17 0.49 0.01 0.42 0.00 0.00 0.00 175.76 176.85 2jjs s ILE 22 N -0.63 3.86 -0.22 0.00 -1.09 -1.26 -0.80 121.20 121.05 2jjs s ILE 22 Ca 0.13 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2jjs s ILE 22 Cb -0.12 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2jjs s ILE 22 CO 0.02 0.38 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.32 2jjs s LEU 23 N 1.51 2.94 0.07 2.97 1.43 -0.24 -4.99 118.68 122.37 2jjs s LEU 23 Ca 0.06 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 2jjs s LEU 23 Cb -0.15 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 2jjs s LEU 23 CO 0.00 -0.03 0.52 -1.00 0.23 0.00 0.00 176.35 176.07 2jjs s HIS 24 N 1.47 3.74 -0.24 0.29 3.76 -1.26 -1.38 115.29 121.68 2jjs s HIS 24 Ca 0.05 1.14 -0.17 0.00 -0.15 0.00 0.00 55.06 55.93 2jjs s HIS 24 Cb -0.14 -2.41 0.07 0.00 1.11 0.00 0.00 32.58 31.21 2jjs s HIS 24 CO -0.03 0.57 0.61 0.00 -0.85 0.00 0.00 174.74 175.03 2jjs s THR 26 N 0.98 1.03 0.11 0.00 -4.23 -0.37 -0.47 115.64 112.69 2jjs s THR 26 Ca -0.05 -1.80 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 2jjs s THR 26 Cb -0.05 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 2jjs s THR 26 CO -0.09 -0.63 -0.19 0.68 -0.54 0.00 0.00 174.62 173.86 2jjs s VAL 27 N -2.77 2.79 -1.75 2.29 -7.23 -0.58 -0.28 120.40 112.87 2jjs s VAL 27 Ca 0.10 -1.51 0.24 0.00 -1.81 0.00 0.00 61.98 59.00 2jjs s VAL 27 Cb -0.01 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2jjs s VAL 27 CO 0.00 0.11 1.24 0.35 -0.31 0.00 0.00 175.10 176.49 2jjs n THR 28 N 0.85 0.00 -3.73 5.32 -2.24 -0.81 -4.86 114.28 108.82 2jjs n THR 28 Ca -0.16 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 2jjs n THR 28 Cb 0.53 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.59 -0.29 0.00 3.42 0.15 -1.26 -4.91 113.70 108.23 2jjs s SER 29 Ca 0.18 0.29 0.23 0.00 0.70 0.00 0.00 55.95 57.36 2jjs s SER 29 Cb 0.18 0.43 0.15 0.00 -1.71 0.00 0.00 66.02 65.07 2jjs s SER 29 CO 0.60 -0.41 1.19 0.18 1.20 0.00 0.00 173.24 176.00 2jjs n LEU 30 N 1.51 1.88 -4.45 3.45 4.77 -1.26 -4.92 117.00 117.98 2jjs n LEU 30 Ca -0.20 -0.67 -0.28 0.00 -0.03 0.00 0.00 56.01 54.83 2jjs n LEU 30 Cb 0.56 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2jjs n LEU 30 CO 0.21 0.35 -0.52 0.27 -1.33 0.00 0.00 177.39 176.37 2jjs s ILE 31 N -2.46 2.55 0.74 -0.08 -4.36 -1.26 -4.46 121.20 111.88 2jjs s ILE 31 Ca 0.20 -1.77 -0.13 0.00 -0.26 0.00 0.00 60.65 58.69 2jjs s ILE 31 Cb 0.18 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.75 2jjs s ILE 31 CO 0.55 -0.00 1.13 -2.16 0.24 0.00 0.00 174.94 174.70 2jjs s PRO 32 N -2.38 2.27 0.24 0.37 0.04 -1.26 -4.77 135.00 129.51 2jjs s PRO 32 Ca 0.19 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2jjs s PRO 32 Cb -0.09 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 2jjs s PRO 32 CO 0.09 -1.67 1.65 0.08 0.04 0.00 0.00 177.00 177.20 2jjs s VAL 33 N -2.44 2.10 0.00 -0.36 1.01 -1.26 -4.92 120.40 114.53 2jjs s VAL 33 Ca 0.67 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2jjs s VAL 33 Cb -0.22 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2jjs s VAL 33 CO 0.48 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2jjs n GLY 34 N 3.20 3.57 3.89 4.51 0.00 -1.26 -2.78 105.19 116.32 2jjs n GLY 34 Ca 0.12 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.32 3.12 -0.15 1.61 0.04 -1.23 -4.69 135.00 131.38 2jjs s PRO 35 Ca 0.00 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 2jjs s PRO 35 Cb 0.00 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2jjs s PRO 35 CO 0.00 -0.79 0.18 0.42 0.04 0.00 0.00 177.00 176.85 2jjs s ILE 36 N -3.20 5.40 0.13 0.56 -1.09 -1.26 -0.79 121.20 120.94 2jjs s ILE 36 Ca 0.56 0.30 0.06 0.00 -2.23 0.00 0.00 60.65 59.34 2jjs s ILE 36 Cb -0.11 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2jjs s ILE 36 CO 0.51 0.50 -0.14 -1.10 -1.23 0.00 0.00 174.94 173.48 2jjs s GLN 37 N -0.18 1.05 -0.07 2.79 -0.21 -0.27 -4.58 119.66 118.19 2jjs s GLN 37 Ca 0.13 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.25 2jjs s GLN 37 Cb -0.12 -0.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 2jjs s GLN 37 CO 0.02 0.18 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.73 2jjs s TRP 38 N -2.17 2.95 0.10 0.91 0.52 -0.01 -0.46 118.94 120.78 2jjs s TRP 38 Ca 0.10 0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.29 2jjs s TRP 38 Cb -0.05 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2jjs s TRP 38 CO 0.03 0.32 -0.17 -0.06 0.02 0.00 0.00 176.95 177.08 2jjs s PHE 39 N -0.74 1.53 -0.27 -1.98 0.08 -0.19 -0.64 117.98 115.76 2jjs s PHE 39 Ca 0.11 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 2jjs s PHE 39 Cb -0.11 -0.83 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 2jjs s PHE 39 CO 0.02 0.15 0.23 0.50 -0.10 0.00 0.00 175.22 176.01 2jjs s ARG 40 N -1.99 3.98 0.00 0.44 3.52 -0.11 -0.38 118.95 124.41 2jjs s ARG 40 Ca 0.04 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2jjs s ARG 40 Cb -0.09 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2jjs s ARG 40 CO 0.03 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 2jjs n GLY 41 N 4.91 -0.93 3.33 8.12 0.00 0.87 -1.11 105.19 120.39 2jjs n GLY 41 Ca -0.13 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.33 1.81 0.00 4.61 0.00 -1.26 -4.70 121.76 120.90 2jjs s ALA 42 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2jjs s ALA 42 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 2jjs s ALA 42 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2jjs n GLY 43 N -0.50 -2.15 0.31 0.00 0.00 -1.26 -4.12 105.19 97.46 2jjs n GLY 43 Ca 0.00 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.73 2jjs n GLY 43 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jjs h PRO 44 N 0.00 0.00 -0.00 1.61 0.11 -2.03 -2.13 132.00 129.56 2jjs h PRO 44 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jjs h PRO 44 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2jjs h PRO 44 CO 0.00 0.02 -0.07 0.00 -0.21 0.00 0.00 178.00 177.73 2jjs n ALA 45 N -2.23 2.66 -1.75 -0.75 0.00 -1.26 -4.96 120.51 112.21 2jjs n ALA 45 Ca -0.03 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 2jjs n ALA 45 Cb 0.10 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.53 3.17 -0.21 0.00 1.70 -0.80 -4.98 118.95 115.30 2jjs s ARG 46 Ca 0.28 1.95 -0.08 0.00 -0.47 0.00 0.00 55.73 57.42 2jjs s ARG 46 Cb 0.20 -2.12 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 2jjs s ARG 46 CO 0.47 -1.08 0.07 -2.00 -1.08 0.00 0.00 175.30 171.68 2jjs s GLU 47 N -3.07 3.86 -0.01 3.89 2.12 -0.26 -4.94 118.70 120.29 2jjs s GLU 47 Ca 0.73 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 2jjs s GLU 47 Cb -0.33 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 2jjs s GLU 47 CO 0.38 0.09 1.49 -1.17 -0.54 0.00 0.00 175.26 175.51 2jjs s LEU 48 N 0.89 4.32 -0.17 2.70 2.96 -1.26 -0.94 118.68 127.18 2jjs s LEU 48 Ca 0.04 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.18 2jjs s LEU 48 Cb -0.14 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.86 2jjs s LEU 48 CO 0.03 -0.80 -0.09 -0.38 -1.32 0.00 0.00 176.35 173.79 2jjs n ILE 49 N 4.88 1.02 -3.64 6.68 2.08 0.19 -4.94 119.36 125.64 2jjs n ILE 49 Ca 0.15 -0.46 -0.10 0.00 0.56 0.00 0.00 62.75 62.89 2jjs n ILE 49 Cb 0.43 -0.98 -0.07 0.00 -0.75 0.00 0.00 39.64 38.27 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 -2.36 -0.81 0.29 1.39 5.04 -1.11 -4.86 117.35 114.94 2jjs s TYR 50 Ca -0.19 1.81 0.05 0.00 -2.44 0.00 0.00 57.07 56.31 2jjs s TYR 50 Cb 0.06 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.73 2jjs s TYR 50 CO 0.47 -0.39 0.24 0.54 -1.34 0.00 0.00 175.55 175.07 2jjs s ASN 51 N 0.79 1.25 0.00 4.32 2.20 -1.26 -0.83 114.94 121.41 2jjs s ASN 51 Ca -0.03 -1.66 0.23 0.00 -0.94 0.00 0.00 52.86 50.46 2jjs s ASN 51 Cb -0.05 0.51 1.39 0.00 -2.00 0.00 0.00 41.25 41.09 2jjs s ASN 51 CO -0.07 -1.00 1.77 0.00 -2.94 0.00 0.00 177.10 174.86 2jjs n GLN 52 N -0.52 0.77 -2.67 3.55 6.02 -1.26 -4.85 117.38 118.41 2jjs n GLN 52 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 2jjs n GLN 52 Cb 0.63 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.00 4.61 0.28 -1.09 1.02 -1.26 -4.96 119.74 116.34 2jjs s LYS 53 Ca 0.35 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 2jjs s LYS 53 Cb 0.16 -3.39 -0.11 0.00 -0.52 0.00 0.00 37.83 33.97 2jjs s LYS 53 CO 0.27 0.06 1.51 -2.00 -0.92 0.00 0.00 175.35 174.26 2jjs s GLU 54 N 0.44 4.20 0.00 1.68 2.12 -1.26 -3.79 118.70 122.08 2jjs s GLU 54 Ca 0.50 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.27 2jjs s GLU 54 Cb -0.24 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2jjs s GLU 54 CO 0.30 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2jjs n GLY 55 N 2.03 0.42 0.02 -1.50 0.00 -1.26 -4.95 105.19 99.95 2jjs n GLY 55 Ca 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.19 0.00 -3.57 1.61 8.25 -1.25 -4.88 115.22 112.19 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 0.13 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.98 0.62 0.30 4.41 3.72 -1.26 -4.98 117.46 118.30 2jjs n PHE 57 Ca -0.06 -3.68 0.18 0.00 -0.05 0.00 0.00 57.45 53.84 2jjs n PHE 57 Cb 0.42 -0.07 0.96 0.00 -0.94 0.00 0.00 39.48 39.84 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 5.49 0.00 -0.00 -1.08 0.13 -1.95 -1.88 132.00 132.70 2jjs h PRO 58 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2jjs h PRO 58 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2jjs h PRO 58 CO 0.50 0.03 -0.54 0.54 -0.23 0.00 0.00 178.00 178.30 2jjs n ARG 59 N -3.44 0.27 -4.44 0.86 1.74 -1.26 -4.96 116.66 105.43 2jjs n ARG 59 Ca -0.02 -0.18 -0.22 0.00 -0.77 0.00 0.00 57.85 56.65 2jjs n ARG 59 Cb 0.14 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.85 0.90 0.19 1.55 1.01 -0.71 -1.56 120.40 118.93 2jjs s VAL 60 Ca 0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 2jjs s VAL 60 Cb 0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2jjs s VAL 60 CO 0.68 0.29 0.30 0.28 0.00 0.00 0.00 175.10 176.66 2jjs s THR 61 N 0.58 0.04 0.37 3.92 -1.32 -1.12 -4.80 115.64 113.31 2jjs s THR 61 Ca -0.10 -1.51 -0.25 0.00 -1.21 0.00 0.00 61.69 58.61 2jjs s THR 61 Cb -0.13 -2.05 -0.09 0.00 -1.51 0.00 0.00 72.50 68.71 2jjs s THR 61 CO 0.02 -0.17 1.01 0.42 -2.21 0.00 0.00 174.62 173.69 2jjs s THR 62 N -4.02 3.91 0.12 5.08 -4.23 -1.26 -1.17 115.64 114.07 2jjs s THR 62 Ca 0.22 1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 62.12 2jjs s THR 62 Cb 0.03 -3.81 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 2jjs s THR 62 CO 0.04 0.06 1.44 0.58 -0.54 0.00 0.00 174.62 176.21 2jjs h VAL 63 N 2.38 1.29 -1.98 2.29 2.07 -1.60 -3.46 116.25 117.24 2jjs h VAL 63 Ca -0.48 -1.51 -0.45 0.00 0.82 0.00 0.00 66.70 65.09 2jjs h VAL 63 Cb 1.20 1.49 0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2jjs h VAL 63 CO 0.63 0.49 -0.04 -0.44 0.02 0.00 0.00 177.57 178.23 2jjs s SER 64 N -6.68 5.06 -1.16 0.57 0.01 -1.26 -5.01 113.70 105.24 2jjs s SER 64 Ca -0.12 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 2jjs s SER 64 Cb 0.10 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.95 2jjs s SER 64 CO 0.85 -1.30 1.59 -0.70 0.41 0.00 0.00 173.24 174.10 2jjs s GLU 65 N -4.78 3.78 0.00 12.44 2.12 -1.26 -4.80 118.70 126.20 2jjs s GLU 65 Ca 0.60 -1.55 0.24 0.00 0.36 0.00 0.00 54.97 54.63 2jjs s GLU 65 Cb -0.08 -5.45 1.11 0.00 0.26 0.00 0.00 34.13 29.97 2jjs s GLU 65 CO 0.39 -2.24 1.75 -1.13 -0.54 0.00 0.00 175.26 173.49 2jjs n SER 66 N 8.68 0.96 0.00 -1.70 3.41 -1.26 -2.95 113.62 120.77 2jjs n SER 66 Ca 0.41 -1.47 0.15 0.00 -0.26 0.00 0.00 58.87 57.70 2jjs n SER 66 Cb 0.49 -0.04 0.85 0.00 -0.26 0.00 0.00 64.21 65.25 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 -0.19 0.01 -3.57 6.66 -2.24 -1.26 -4.83 114.28 108.87 2jjs n THR 67 Ca 0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.59 2jjs n THR 67 Cb 0.24 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.24 3.91 0.30 -0.78 1.02 -1.15 -5.00 119.74 115.79 2jjs s LYS 68 Ca 0.39 0.26 0.05 0.00 0.02 0.00 0.00 55.97 56.68 2jjs s LYS 68 Cb 0.21 -3.26 0.69 0.00 -0.52 0.00 0.00 37.83 34.94 2jjs s LYS 68 CO 0.40 0.60 1.80 -0.09 -0.92 0.00 0.00 175.35 177.14 2jjs h ARG 69 N 5.20 0.81 0.00 1.68 2.43 -1.91 -2.43 114.38 120.15 2jjs h ARG 69 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 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 0.64 0.54 0.00 1.05 -1.51 0.00 0.00 179.97 180.69 2jjs h GLU 70 N 0.84 0.00 -6.58 0.20 4.11 -1.95 -3.46 114.58 107.74 2jjs h GLU 70 Ca 0.55 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.45 2jjs h GLU 70 Cb 0.76 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.06 2jjs h GLU 70 CO -0.33 0.00 1.01 1.21 0.07 0.00 0.00 179.01 180.97 2jjs s ASN 71 N -4.64 6.46 0.00 3.06 2.47 -0.92 -4.90 114.94 116.47 2jjs s ASN 71 Ca 0.06 2.75 0.01 0.00 0.42 0.00 0.00 52.86 56.10 2jjs s ASN 71 Cb 0.10 -2.59 0.04 0.00 -1.45 0.00 0.00 41.25 37.35 2jjs s ASN 71 CO 0.49 -0.94 0.94 0.23 -3.72 0.00 0.00 177.10 174.10 2jjs n MET 72 N 4.63 2.26 -3.70 0.43 2.81 -1.26 -5.01 117.12 117.28 2jjs n MET 72 Ca 0.16 -1.38 -0.37 0.00 -1.81 0.00 0.00 57.70 54.29 2jjs n MET 72 Cb 0.37 -1.03 -0.12 0.00 -0.71 0.00 0.00 33.22 31.73 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 -0.83 5.37 -0.18 7.83 -1.08 -1.26 -1.52 116.67 124.99 2jjs s ASP 73 Ca 0.03 -0.33 0.15 0.00 -0.52 0.00 0.00 52.55 51.88 2jjs s ASP 73 Cb 0.02 -1.97 0.41 0.00 -1.46 0.00 0.00 42.92 39.92 2jjs s ASP 73 CO 0.02 -0.10 1.28 0.49 0.52 0.00 0.00 175.17 177.38 2jjs n PHE 74 N 4.95 0.42 -1.81 -5.34 3.72 0.38 -4.70 117.46 115.08 2jjs n PHE 74 Ca -0.15 -1.15 -0.40 0.00 -0.05 0.00 0.00 57.45 55.70 2jjs n PHE 74 Cb 0.50 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.64 6.01 0.12 4.37 0.01 -1.05 -4.53 113.70 115.99 2jjs s SER 75 Ca 0.38 2.94 0.08 0.00 1.31 0.00 0.00 55.95 60.66 2jjs s SER 75 Cb 0.33 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2jjs s SER 75 CO 0.02 -1.09 -0.20 0.27 0.41 0.00 0.00 173.24 172.66 2jjs s ILE 76 N -1.19 1.71 -0.12 1.44 -4.36 -0.48 -1.49 121.20 116.72 2jjs s ILE 76 Ca 0.59 -1.66 -0.03 0.00 -0.26 0.00 0.00 60.65 59.28 2jjs s ILE 76 Cb -0.44 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.60 2jjs s ILE 76 CO 0.58 -0.16 0.01 -0.94 0.24 0.00 0.00 174.94 174.67 2jjs s SER 77 N -2.16 5.29 -0.20 4.36 1.04 -0.32 -1.08 113.70 120.62 2jjs s SER 77 Ca 0.09 0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.62 2jjs s SER 77 Cb -0.08 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 64.40 2jjs s SER 77 CO 0.05 0.30 -0.15 -0.63 0.98 0.00 0.00 173.24 173.80 2jjs s ILE 78 N -0.43 2.44 0.52 -1.02 1.01 0.02 -2.77 121.20 120.96 2jjs s ILE 78 Ca 0.08 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 2jjs s ILE 78 Cb -0.12 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 2jjs s ILE 78 CO 0.02 0.45 0.92 -0.94 0.00 0.00 0.00 174.94 175.39 2jjs s SER 79 N 1.33 6.44 -1.22 3.58 1.04 -0.60 -1.00 113.70 123.27 2jjs s SER 79 Ca 0.04 1.34 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 2jjs s SER 79 Cb -0.14 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2jjs s SER 79 CO -0.10 -0.62 0.77 0.59 0.98 0.00 0.00 173.24 174.86 2jjs n ASN 80 N -1.94 -3.05 -4.76 7.02 3.02 -1.20 -4.89 115.26 109.46 2jjs n ASN 80 Ca 0.05 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.35 2jjs n ASN 80 Cb 0.54 -4.18 -0.02 0.00 -0.61 0.00 0.00 39.78 35.52 2jjs n ASN 80 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jjs s ILE 81 N -3.56 2.39 0.34 2.41 -1.09 -0.26 -4.74 121.20 116.68 2jjs s ILE 81 Ca 0.18 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.00 2jjs s ILE 81 Cb -0.05 -3.22 -0.07 0.00 -1.58 0.00 0.00 42.46 37.55 2jjs s ILE 81 CO 0.81 0.06 0.02 0.42 -1.23 0.00 0.00 174.94 175.02 2jjs s THR 82 N -0.33 1.47 0.48 2.92 -4.23 -1.26 -0.44 115.64 114.25 2jjs s THR 82 Ca 0.58 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.31 2jjs s THR 82 Cb -0.44 -2.78 0.43 0.00 1.34 0.00 0.00 72.50 71.05 2jjs s THR 82 CO 0.49 -0.06 1.88 -0.65 -0.54 0.00 0.00 174.62 175.74 2jjs h PRO 83 N 2.07 0.19 0.00 3.99 0.11 -1.96 -0.94 132.00 135.46 2jjs h PRO 83 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2jjs h PRO 83 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jjs h PRO 83 CO 0.72 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2jjs h ALA 84 N 1.60 1.00 -0.00 -0.75 0.00 -2.00 -2.38 119.26 116.72 2jjs h ALA 84 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2jjs h ALA 84 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2jjs h ALA 84 CO -0.09 0.00 -0.05 -0.25 0.00 0.00 0.00 179.25 178.86 2jjs n ASP 85 N -2.59 0.20 -4.77 0.00 8.00 -0.36 -4.91 116.55 112.12 2jjs n ASP 85 Ca 0.00 -0.38 -0.41 0.00 0.71 0.00 0.00 54.79 54.71 2jjs n ASP 85 Cb 0.18 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.49 3.57 0.00 2.24 0.00 -0.90 -4.92 121.76 119.26 2jjs s ALA 86 Ca 0.30 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2jjs s ALA 86 Cb 0.20 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2jjs s ALA 86 CO 0.46 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2jjs n GLY 87 N 0.94 -1.38 3.63 0.00 0.00 -0.84 -5.00 105.19 102.53 2jjs n GLY 87 Ca 0.02 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.92 5.18 -0.12 2.61 2.01 -1.26 -0.04 115.64 121.11 2jjs s THR 88 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2jjs s THR 88 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2jjs s THR 88 CO 0.00 0.34 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.94 2jjs s TYR 89 N 1.14 3.08 -0.05 4.92 2.02 -0.28 -0.09 117.35 128.08 2jjs s TYR 89 Ca 0.07 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.78 2jjs s TYR 89 Cb -0.14 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 2jjs s TYR 89 CO 0.05 0.22 -0.21 0.71 -1.57 0.00 0.00 175.55 174.75 2jjs s TYR 90 N -0.26 2.09 -0.25 2.71 2.02 0.49 -0.97 117.35 123.19 2jjs s TYR 90 Ca 0.05 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 55.97 2jjs s TYR 90 Cb -0.12 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2jjs s TYR 90 CO 0.02 -0.21 0.38 0.00 -1.57 0.00 0.00 175.55 174.18 2jjs s VAL 92 N 1.80 1.02 0.01 0.00 1.01 0.39 -0.67 120.40 123.96 2jjs s VAL 92 Ca 0.17 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 2jjs s VAL 92 Cb -0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2jjs s VAL 92 CO 0.09 0.34 0.66 -0.75 0.00 0.00 0.00 175.10 175.44 2jjs s LYS 93 N 1.04 4.39 0.18 2.72 2.47 0.28 -1.11 119.74 129.71 2jjs s LYS 93 Ca -0.08 0.86 0.09 0.00 -1.56 0.00 0.00 55.97 55.28 2jjs s LYS 93 Cb -0.15 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.82 2jjs s LYS 93 CO -0.01 0.31 -0.09 -0.06 0.16 0.00 0.00 175.35 175.66 2jjs s PHE 94 N -0.04 2.65 0.00 4.03 0.08 0.03 -0.41 117.98 124.32 2jjs s PHE 94 Ca 0.34 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.18 2jjs s PHE 94 Cb -0.19 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 2jjs s PHE 94 CO 0.19 0.51 0.03 1.03 -0.10 0.00 0.00 175.22 176.89 2jjs s ARG 95 N -2.84 2.89 0.37 0.44 0.52 -0.20 -3.53 118.95 116.59 2jjs s ARG 95 Ca 0.25 -0.57 -0.27 0.00 -0.52 0.00 0.00 55.73 54.62 2jjs s ARG 95 Cb -0.09 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 2jjs s ARG 95 CO 0.15 0.63 1.22 0.15 0.02 0.00 0.00 175.30 177.47 2jjs s LYS 96 N -1.68 4.18 0.06 3.54 -0.14 -1.12 -1.69 119.74 122.89 2jjs s LYS 96 Ca 0.21 1.98 -0.12 0.00 -1.36 0.00 0.00 55.97 56.68 2jjs s LYS 96 Cb -0.12 -2.84 0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2jjs s LYS 96 CO 0.12 -0.25 0.54 0.41 -0.76 0.00 0.00 175.35 175.41 2jjs n GLY 97 N 0.75 0.80 2.97 -3.33 0.00 -1.26 -4.79 105.19 100.33 2jjs n GLY 97 Ca 0.03 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.26 5.05 0.76 1.61 0.01 -1.26 -2.87 113.70 114.75 2jjs s SER 98 Ca 0.12 -3.64 -0.04 0.00 1.31 0.00 0.00 55.95 53.70 2jjs s SER 98 Cb -0.01 -1.72 0.14 0.00 0.21 0.00 0.00 66.02 64.64 2jjs s SER 98 CO 0.02 -0.15 1.05 -2.16 0.41 0.00 0.00 173.24 172.41 2jjs s PRO 99 N -1.18 1.52 0.53 12.44 0.04 -1.26 -5.14 135.00 141.95 2jjs s PRO 99 Ca 0.24 -0.97 -0.21 0.00 0.04 0.00 0.00 61.00 60.10 2jjs s PRO 99 Cb -0.09 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 2jjs s PRO 99 CO -0.12 -1.61 1.22 -0.51 0.04 0.00 0.00 177.00 176.02 2jjs s ASP 100 N -4.76 5.62 0.02 6.66 1.01 -1.14 -4.96 116.67 119.13 2jjs s ASP 100 Ca 0.67 2.42 0.08 0.00 0.71 0.00 0.00 52.55 56.43 2jjs s ASP 100 Cb -0.05 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2jjs s ASP 100 CO 0.46 -1.30 -0.24 0.42 0.21 0.00 0.00 175.17 174.71 2jjs s THR 101 N -1.53 2.26 0.23 -1.27 -4.23 -0.68 -4.88 115.64 105.54 2jjs s THR 101 Ca 0.71 -1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.67 2jjs s THR 101 Cb -0.31 -1.86 -0.10 0.00 1.34 0.00 0.00 72.50 71.56 2jjs s THR 101 CO 0.36 0.44 1.51 -0.70 -0.54 0.00 0.00 174.62 175.69 2jjs s GLU 102 N -1.05 4.23 -0.18 3.99 2.12 -1.26 -1.04 118.70 125.50 2jjs s GLU 102 Ca 0.12 2.37 -0.09 0.00 0.36 0.00 0.00 54.97 57.73 2jjs s GLU 102 Cb -0.10 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 31.10 2jjs s GLU 102 CO 0.02 -0.52 -0.23 0.34 -0.54 0.00 0.00 175.26 174.33 2jjs n PHE 103 N 2.85 0.00 -3.63 5.30 7.35 0.45 -4.83 117.46 124.94 2jjs n PHE 103 Ca 0.09 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.63 2jjs n PHE 103 Cb 0.39 -0.65 -0.07 0.00 0.35 0.00 0.00 39.48 39.50 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 -2.33 0.82 0.04 -4.13 2.20 -1.04 -5.02 119.74 110.28 2jjs s LYS 104 Ca -0.25 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.04 2jjs s LYS 104 Cb 0.10 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 2jjs s LYS 104 CO 0.32 -0.16 -0.10 0.45 -0.36 0.00 0.00 175.35 175.50 2jjs s SER 105 N -0.21 4.40 1.06 1.43 0.15 -1.26 -0.56 113.70 118.72 2jjs s SER 105 Ca -0.04 -0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 2jjs s SER 105 Cb -0.03 -0.92 0.22 0.00 -1.71 0.00 0.00 66.02 63.58 2jjs s SER 105 CO 0.04 0.25 1.08 -0.83 1.20 0.00 0.00 173.24 174.98 2jjs s GLY 106 N -1.66 1.56 0.42 9.45 0.00 0.16 -4.76 107.32 112.48 2jjs s GLY 106 Ca 0.18 -0.43 0.28 0.00 0.00 0.00 0.00 44.72 44.75 2jjs s GLY 106 CO 0.09 0.24 1.82 0.00 0.00 0.00 0.00 173.10 175.25 2jjs h ALA 107 N -2.13 1.00 0.00 3.20 0.00 -1.87 -3.44 119.26 116.02 2jjs h ALA 107 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 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 0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2jjs n GLY 108 N 0.38 0.75 2.92 0.00 0.00 -1.26 -5.06 105.19 102.92 2jjs n GLY 108 Ca 0.02 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.00 1.09 -0.38 2.61 2.01 -0.14 -4.62 115.64 114.20 2jjs s THR 109 Ca 0.00 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 2jjs s THR 109 Cb 0.00 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.43 2jjs s THR 109 CO 0.00 0.37 0.98 -0.70 -0.69 0.00 0.00 174.62 174.57 2jjs s GLU 110 N 1.68 3.85 -0.28 4.92 2.56 -0.21 -1.12 118.70 130.10 2jjs s GLU 110 Ca 0.05 0.63 -0.18 0.00 0.00 0.00 0.00 54.97 55.48 2jjs s GLU 110 Cb -0.13 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.17 2jjs s GLU 110 CO -0.08 -1.01 0.50 -1.17 -0.56 0.00 0.00 175.26 172.94 2jjs s LEU 111 N 3.64 4.09 0.05 2.70 2.96 0.95 -0.65 118.68 132.41 2jjs s LEU 111 Ca 0.40 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.79 2jjs s LEU 111 Cb -0.11 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 2jjs s LEU 111 CO 0.20 -0.30 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.84 2jjs s SER 112 N 1.59 4.03 -0.12 3.68 1.04 -0.40 -1.98 113.70 121.55 2jjs s SER 112 Ca 0.20 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2jjs s SER 112 Cb -0.16 -0.72 -0.00 0.00 0.10 0.00 0.00 66.02 65.24 2jjs s SER 112 CO 0.10 0.24 -0.19 -0.69 0.98 0.00 0.00 173.24 173.68 2jjs s VAL 113 N -1.00 2.42 -0.26 5.02 1.01 -1.26 -1.05 120.40 125.29 2jjs s VAL 113 Ca 0.16 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2jjs s VAL 113 Cb -0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2jjs s VAL 113 CO 0.07 0.54 0.37 -0.13 0.00 0.00 0.00 175.10 175.96 2jjs s ARG 114 N 0.47 4.04 0.62 2.72 1.81 -0.11 -4.92 118.95 123.58 2jjs s ARG 114 Ca -0.13 0.06 -0.18 0.00 -1.72 0.00 0.00 55.73 53.76 2jjs s ARG 114 Cb -0.17 -3.64 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 2jjs s ARG 114 CO 0.05 -0.24 1.17 0.00 -0.68 0.00 0.00 175.30 175.61 2jjs s ALA 115 N 1.94 2.50 0.27 2.13 0.00 -1.26 -1.17 121.76 126.17 2jjs s ALA 115 Ca 0.15 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 2jjs s ALA 115 Cb -0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 2jjs s ALA 115 CO 0.09 -1.21 1.62 1.63 0.00 0.00 0.00 175.76 177.89 2jjs n LYS 116 N -1.88 2.67 -1.62 0.00 4.76 -1.26 -4.90 118.16 115.93 2jjs n LYS 116 Ca 0.12 0.95 -0.32 0.00 -2.87 0.00 0.00 58.31 56.19 2jjs n LYS 116 Cb 0.51 -2.75 0.06 0.00 -1.84 0.00 0.00 35.03 31.01 2jjs n LYS 116 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jjs s PRO 117 N -0.10 2.66 -0.20 1.97 0.04 -1.26 -5.02 135.00 133.09 2jjs s PRO 117 Ca 0.67 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 2jjs s PRO 117 Cb -0.51 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2jjs s PRO 117 CO 0.45 -1.35 0.37 -1.12 0.04 0.00 0.00 177.00 175.39 2jjs s SER 118 N -2.83 6.40 0.00 6.66 0.01 -1.26 -5.31 113.70 117.38 2jjs s SER 118 Ca 0.65 0.47 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2jjs s SER 118 Cb -0.19 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jjs s SER 118 CO 0.46 -0.05 0.00 0.35 0.41 0.00 0.00 173.24 174.40