#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjt s GLU 3 N 0.00 2.45 0.36 3.44 -1.05 -1.26 -4.94 118.70 117.70 2jjt s GLU 3 Ca 0.00 2.02 -0.28 0.00 -0.15 0.00 0.00 54.97 56.56 2jjt s GLU 3 Cb 0.00 -1.84 -0.11 0.00 -0.44 0.00 0.00 34.13 31.74 2jjt s GLU 3 CO 0.00 -1.66 1.46 -1.17 0.95 0.00 0.00 175.26 174.83 2jjt s LEU 4 N -4.52 4.34 -0.10 1.83 0.20 -1.26 -4.92 118.68 114.26 2jjt s LEU 4 Ca 0.81 2.96 0.01 0.00 0.69 0.00 0.00 54.13 58.61 2jjt s LEU 4 Cb -0.36 -3.66 0.02 0.00 -0.43 0.00 0.00 46.19 41.75 2jjt s LEU 4 CO 0.41 -0.80 -0.14 -1.10 -0.29 0.00 0.00 176.35 174.43 2jjt s GLN 5 N -1.89 2.02 -0.29 1.98 -0.21 -1.26 -5.00 119.66 115.02 2jjt s GLN 5 Ca 0.53 -0.49 -0.13 0.00 0.02 0.00 0.00 55.36 55.29 2jjt s GLN 5 Cb -0.45 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 2jjt s GLN 5 CO 0.60 -0.08 0.30 0.08 -2.12 0.00 0.00 175.29 174.06 2jjt s VAL 6 N 1.05 5.23 -0.20 1.09 1.01 -1.26 -2.24 120.40 125.07 2jjt s VAL 6 Ca -0.06 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jjt s VAL 6 Cb -0.15 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2jjt s VAL 6 CO -0.02 0.15 -0.12 -0.63 0.00 0.00 0.00 175.10 174.48 2jjt s ILE 7 N 1.93 1.80 -0.45 2.22 1.01 0.33 -4.25 121.20 123.79 2jjt s ILE 7 Ca 0.11 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 2jjt s ILE 7 Cb -0.16 -1.82 0.05 0.00 0.01 0.00 0.00 42.46 40.54 2jjt s ILE 7 CO 0.11 0.21 0.37 -1.10 0.00 0.00 0.00 174.94 174.53 2jjt s GLN 8 N 1.33 2.99 0.43 2.79 -0.21 -1.26 -0.93 119.66 124.80 2jjt s GLN 8 Ca -0.01 -1.19 0.14 0.00 0.02 0.00 0.00 55.36 54.31 2jjt s GLN 8 Cb -0.16 -4.07 0.95 0.00 1.00 0.00 0.00 33.01 30.72 2jjt s GLN 8 CO -0.09 -0.93 1.97 -1.00 -2.12 0.00 0.00 175.29 173.12 2jjt h PRO 9 N 8.72 0.03 -4.60 2.91 0.13 -1.96 -3.41 132.00 133.82 2jjt h PRO 9 Ca -0.28 -0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.14 2jjt h PRO 9 Cb 1.11 -0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.04 2jjt h PRO 9 CO 0.83 0.22 -0.40 -0.51 -0.23 0.00 0.00 178.00 177.91 2jjt s ASP 10 N -6.98 6.12 0.48 1.44 1.01 -1.26 -4.93 116.67 112.54 2jjt s ASP 10 Ca -0.04 -0.76 0.25 0.00 0.71 0.00 0.00 52.55 52.71 2jjt s ASP 10 Cb 0.16 -2.17 1.19 0.00 1.01 0.00 0.00 42.92 43.11 2jjt s ASP 10 CO 0.70 -0.43 1.96 0.11 0.21 0.00 0.00 175.17 177.72 2jjt h LYS 11 N 8.61 0.00 -3.05 8.23 1.57 -1.79 -3.39 116.57 126.76 2jjt h LYS 11 Ca -0.28 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 2jjt h LYS 11 Cb 1.13 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.19 2jjt h LYS 11 CO 0.72 0.18 -0.36 -1.54 -0.57 0.00 0.00 179.45 177.88 2jjt s SER 12 N -6.21 -0.28 -0.03 0.86 1.04 -1.26 -1.01 113.70 106.81 2jjt s SER 12 Ca -0.02 0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.97 2jjt s SER 12 Cb 0.12 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2jjt s SER 12 CO 0.61 -0.16 -0.22 -0.69 0.98 0.00 0.00 173.24 173.76 2jjt s VAL 13 N -0.11 1.77 -0.14 5.02 1.01 0.09 -4.91 120.40 123.12 2jjt s VAL 13 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2jjt s VAL 13 Cb -0.03 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2jjt s VAL 13 CO 0.01 0.50 -0.12 -0.55 0.00 0.00 0.00 175.10 174.94 2jjt s SER 14 N -0.35 2.53 0.04 3.32 0.15 -1.26 -1.10 113.70 117.03 2jjt s SER 14 Ca 0.04 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.30 2jjt s SER 14 Cb -0.10 -1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 63.11 2jjt s SER 14 CO 0.01 -0.08 -0.12 -0.69 1.20 0.00 0.00 173.24 173.55 2jjt s VAL 15 N 1.56 0.97 0.35 4.45 1.01 -0.82 -5.01 120.40 122.91 2jjt s VAL 15 Ca 0.05 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 2jjt s VAL 15 Cb -0.13 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2jjt s VAL 15 CO -0.10 -0.10 1.01 0.00 0.00 0.00 0.00 175.10 175.91 2jjt s ALA 16 N -0.98 3.18 0.43 5.51 0.00 -1.26 -1.14 121.76 127.49 2jjt s ALA 16 Ca -0.01 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 2jjt s ALA 16 Cb -0.08 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 2jjt s ALA 16 CO 0.01 -0.04 1.35 0.00 0.00 0.00 0.00 175.76 177.08 2jjt s ALA 17 N -1.58 3.21 0.00 0.00 0.00 -0.64 -2.51 121.76 120.23 2jjt s ALA 17 Ca 0.53 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2jjt s ALA 17 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2jjt s ALA 17 CO 0.27 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2jjt n GLY 18 N 0.63 1.16 3.93 0.00 0.00 0.11 -4.94 105.19 106.08 2jjt n GLY 18 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2jjt n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjt s GLU 19 N -0.44 2.39 0.23 1.61 2.02 -1.05 -4.55 118.70 118.92 2jjt s GLU 19 Ca 0.00 -1.72 -0.09 0.00 0.02 0.00 0.00 54.97 53.17 2jjt s GLU 19 Cb 0.00 -2.36 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 2jjt s GLU 19 CO 0.00 -0.51 0.55 -1.12 0.02 0.00 0.00 175.26 174.20 2jjt s SER 20 N -4.32 6.62 -0.10 -0.19 0.01 -1.26 -1.53 113.70 112.93 2jjt s SER 20 Ca 0.47 0.91 0.03 0.00 1.31 0.00 0.00 55.95 58.67 2jjt s SER 20 Cb -0.04 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 2jjt s SER 20 CO 0.28 -0.08 -0.20 0.00 0.41 0.00 0.00 173.24 173.65 2jjt s ALA 21 N -1.83 2.33 -0.26 1.44 0.00 0.10 -4.94 121.76 118.61 2jjt s ALA 21 Ca 0.47 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 2jjt s ALA 21 Cb -0.11 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2jjt s ALA 21 CO 0.21 0.31 0.11 0.42 0.00 0.00 0.00 175.76 176.81 2jjt s ILE 22 N 0.22 4.60 -0.27 0.00 -1.09 -1.26 -0.63 121.20 122.78 2jjt s ILE 22 Ca -0.13 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.12 2jjt s ILE 22 Cb -0.16 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2jjt s ILE 22 CO 0.07 0.30 0.08 -0.76 -1.23 0.00 0.00 174.94 173.40 2jjt s LEU 23 N 1.65 3.59 0.09 2.97 1.43 -0.48 -4.99 118.68 122.94 2jjt s LEU 23 Ca 0.06 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2jjt s LEU 23 Cb -0.15 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2jjt s LEU 23 CO 0.06 -0.08 0.56 -1.00 0.23 0.00 0.00 176.35 176.12 2jjt s HIS 24 N 1.60 3.77 -0.17 0.29 3.76 -1.26 -1.75 115.29 121.53 2jjt s HIS 24 Ca 0.06 1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 56.06 2jjt s HIS 24 Cb -0.16 -2.47 0.05 0.00 1.11 0.00 0.00 32.58 31.11 2jjt s HIS 24 CO 0.04 0.56 0.43 0.00 -0.85 0.00 0.00 174.74 174.92 2jjt s THR 26 N 0.53 0.32 0.03 0.00 -4.23 -0.11 -0.66 115.64 111.53 2jjt s THR 26 Ca -0.02 -1.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 2jjt s THR 26 Cb -0.04 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 2jjt s THR 26 CO -0.03 -0.48 -0.17 0.68 -0.54 0.00 0.00 174.62 174.08 2jjt s VAL 27 N -1.61 2.87 -1.16 2.29 -7.23 -0.59 -0.51 120.40 114.45 2jjt s VAL 27 Ca -0.11 -1.13 0.26 0.00 -1.81 0.00 0.00 61.98 59.19 2jjt s VAL 27 Cb -0.09 -2.20 0.13 0.00 0.56 0.00 0.00 36.38 34.78 2jjt s VAL 27 CO -0.01 0.36 1.58 0.35 -0.31 0.00 0.00 175.10 177.07 2jjt n THR 28 N 1.60 0.00 -3.74 5.32 -2.24 -0.95 -4.84 114.28 109.43 2jjt n THR 28 Ca -0.16 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2jjt n THR 28 Cb 0.52 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 2jjt n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jjt s SER 29 N -2.88 -0.17 0.00 3.42 0.15 -1.26 -4.94 113.70 108.01 2jjt s SER 29 Ca 0.15 -0.05 0.25 0.00 0.70 0.00 0.00 55.95 57.00 2jjt s SER 29 Cb 0.18 0.35 0.45 0.00 -1.71 0.00 0.00 66.02 65.29 2jjt s SER 29 CO 0.62 -0.56 1.38 0.18 1.20 0.00 0.00 173.24 176.07 2jjt n LEU 30 N 0.84 1.76 -4.72 3.45 4.77 -1.26 -4.92 117.00 116.92 2jjt n LEU 30 Ca -0.20 -0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 54.93 2jjt n LEU 30 Cb 0.58 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2jjt n LEU 30 CO 0.21 0.31 -0.28 0.27 -1.33 0.00 0.00 177.39 176.58 2jjt s ILE 31 N -2.33 4.05 0.91 -0.08 -4.36 -1.26 -4.47 121.20 113.65 2jjt s ILE 31 Ca 0.25 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 2jjt s ILE 31 Cb 0.19 -3.06 0.14 0.00 1.25 0.00 0.00 42.46 40.98 2jjt s ILE 31 CO 0.47 -0.14 1.09 -2.16 0.24 0.00 0.00 174.94 174.45 2jjt s PRO 32 N -3.09 1.14 0.13 0.37 0.04 -1.26 -4.75 135.00 127.57 2jjt s PRO 32 Ca 0.29 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 2jjt s PRO 32 Cb -0.09 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 2jjt s PRO 32 CO 0.21 -2.30 1.83 0.08 0.04 0.00 0.00 177.00 176.86 2jjt s VAL 33 N -2.98 2.49 0.00 -0.36 1.01 -1.26 -4.92 120.40 114.38 2jjt s VAL 33 Ca 0.64 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2jjt s VAL 33 Cb -0.18 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jjt s VAL 33 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jjt n GLY 34 N 4.23 3.42 3.86 4.51 0.00 -1.25 -2.86 105.19 117.09 2jjt n GLY 34 Ca 0.18 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2jjt n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jjt s PRO 35 N -2.15 3.52 -0.22 1.61 0.04 -1.24 -4.67 135.00 131.89 2jjt s PRO 35 Ca 0.00 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 2jjt s PRO 35 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2jjt s PRO 35 CO 0.00 -0.63 0.12 0.42 0.04 0.00 0.00 177.00 176.95 2jjt s ILE 36 N -3.11 5.14 0.14 0.56 -1.09 -1.26 -0.71 121.20 120.87 2jjt s ILE 36 Ca 0.56 0.10 0.09 0.00 -2.23 0.00 0.00 60.65 59.16 2jjt s ILE 36 Cb -0.11 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2jjt s ILE 36 CO 0.52 0.40 -0.20 -1.10 -1.23 0.00 0.00 174.94 173.33 2jjt s GLN 37 N 0.77 1.22 -0.14 2.79 -0.21 -0.19 -4.60 119.66 119.31 2jjt s GLN 37 Ca 0.06 -1.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.08 2jjt s GLN 37 Cb -0.13 -1.39 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2jjt s GLN 37 CO 0.02 0.30 0.07 -1.58 -2.12 0.00 0.00 175.29 171.98 2jjt s TRP 38 N -1.63 3.35 0.16 0.91 0.52 -0.04 -0.73 118.94 121.48 2jjt s TRP 38 Ca 0.12 0.27 0.07 0.00 0.02 0.00 0.00 56.10 56.58 2jjt s TRP 38 Cb -0.08 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2jjt s TRP 38 CO 0.06 0.44 -0.16 -0.06 0.02 0.00 0.00 176.95 177.25 2jjt s PHE 39 N -0.42 1.66 -0.24 -1.98 0.08 -0.14 -0.19 117.98 116.74 2jjt s PHE 39 Ca 0.10 -0.53 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 2jjt s PHE 39 Cb -0.12 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2jjt s PHE 39 CO 0.02 0.28 0.06 0.50 -0.10 0.00 0.00 175.22 175.97 2jjt s ARG 40 N -2.97 3.64 0.00 0.44 3.52 -0.02 -0.47 118.95 123.09 2jjt s ARG 40 Ca 0.15 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2jjt s ARG 40 Cb -0.04 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2jjt s ARG 40 CO 0.05 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 2jjt n GLY 41 N 4.84 -0.17 3.21 8.12 0.00 -0.67 -2.25 105.19 118.28 2jjt n GLY 41 Ca -0.16 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 2jjt n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjt s ALA 42 N -1.87 1.21 0.00 4.61 0.00 -1.26 -4.74 121.76 119.71 2jjt s ALA 42 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2jjt s ALA 42 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2jjt s ALA 42 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2jjt n GLY 43 N -0.19 -0.15 0.00 0.00 0.00 -1.26 -4.53 105.19 99.06 2jjt n GLY 43 Ca -0.07 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.22 2jjt n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jjt n PRO 44 N -0.10 0.17 -0.09 1.61 -0.04 -1.26 -2.62 135.00 132.67 2jjt n PRO 44 Ca 0.00 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2jjt n PRO 44 Cb 0.00 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 2jjt n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jjt n ALA 45 N -1.36 2.52 -1.53 0.55 0.00 -1.26 -5.01 120.51 114.42 2jjt n ALA 45 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 2jjt n ALA 45 Cb 0.16 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.61 2jjt n ALA 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2jjt s ARG 46 N -1.77 2.30 -0.21 0.00 1.70 -1.08 -5.03 118.95 114.86 2jjt s ARG 46 Ca 0.31 0.76 -0.10 0.00 -0.47 0.00 0.00 55.73 56.23 2jjt s ARG 46 Cb 0.17 -1.93 -0.05 0.00 -0.57 0.00 0.00 34.95 32.57 2jjt s ARG 46 CO 0.25 -1.50 0.13 -2.00 -1.08 0.00 0.00 175.30 171.10 2jjt s GLU 47 N -5.10 4.15 -0.11 3.89 2.12 -0.95 -4.98 118.70 117.71 2jjt s GLU 47 Ca 0.60 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 2jjt s GLU 47 Cb -0.15 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2jjt s GLU 47 CO 0.55 0.24 1.06 -1.17 -0.54 0.00 0.00 175.26 175.40 2jjt s LEU 48 N 0.52 4.24 -0.25 2.70 2.96 -1.26 -0.84 118.68 126.74 2jjt s LEU 48 Ca 0.08 1.59 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 2jjt s LEU 48 Cb -0.12 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 2jjt s LEU 48 CO -0.00 -0.51 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.90 2jjt n ILE 49 N 4.65 1.43 -3.63 6.68 2.08 0.73 -4.92 119.36 126.39 2jjt n ILE 49 Ca 0.10 -0.52 -0.15 0.00 0.56 0.00 0.00 62.75 62.75 2jjt n ILE 49 Cb 0.48 -1.46 -0.07 0.00 -0.75 0.00 0.00 39.64 37.84 2jjt n ILE 49 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 2jjt s TYR 50 N -2.49 -0.69 0.26 1.39 5.04 -1.02 -4.80 117.35 115.04 2jjt s TYR 50 Ca -0.34 1.61 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 2jjt s TYR 50 Cb 0.10 0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.65 2jjt s TYR 50 CO 0.56 -0.39 0.31 0.54 -1.34 0.00 0.00 175.55 175.22 2jjt s ASN 51 N 0.03 0.50 0.13 4.32 2.20 -1.26 -0.86 114.94 120.00 2jjt s ASN 51 Ca -0.02 -1.36 0.21 0.00 -0.94 0.00 0.00 52.86 50.74 2jjt s ASN 51 Cb -0.04 0.52 0.85 0.00 -2.00 0.00 0.00 41.25 40.58 2jjt s ASN 51 CO 0.03 -1.05 1.64 0.00 -2.94 0.00 0.00 177.10 174.78 2jjt n GLN 52 N -0.42 0.11 -1.88 3.55 6.02 -1.26 -4.77 117.38 118.73 2jjt n GLN 52 Ca 0.02 0.30 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 2jjt n GLN 52 Cb 0.63 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 2jjt n GLN 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jjt s LYS 53 N -3.15 3.98 0.38 -1.09 1.02 -1.26 -4.88 119.74 114.74 2jjt s LYS 53 Ca 0.07 2.20 -0.25 0.00 0.02 0.00 0.00 55.97 58.00 2jjt s LYS 53 Cb 0.10 -4.09 -0.12 0.00 -0.52 0.00 0.00 37.83 33.20 2jjt s LYS 53 CO 0.38 -1.10 0.90 -1.91 -0.92 0.00 0.00 175.35 172.69 2jjt n GLU 54 N 7.53 1.15 -1.64 1.68 2.13 -1.26 -3.89 120.64 126.34 2jjt n GLU 54 Ca 0.20 0.41 -0.20 0.00 0.66 0.00 0.00 57.16 58.23 2jjt n GLU 54 Cb 0.43 -1.85 -0.08 0.00 0.27 0.00 0.00 31.44 30.21 2jjt n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jjt n GLY 55 N 1.34 1.73 0.10 8.31 0.00 -1.26 -4.80 105.19 110.61 2jjt n GLY 55 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 2jjt n GLY 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jjt h HIS 56 N 0.00 0.00 -3.10 1.61 3.86 -1.95 -3.43 115.15 112.14 2jjt h HIS 56 Ca -0.41 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.17 2jjt h HIS 56 Cb 1.31 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 29.37 2jjt h HIS 56 CO 0.56 0.70 -0.69 -0.06 0.86 0.00 0.00 177.93 179.30 2jjt s PHE 57 N -2.84 2.60 0.04 2.45 0.08 -1.26 -4.98 117.98 114.07 2jjt s PHE 57 Ca -0.01 -2.83 0.33 0.00 0.12 0.00 0.00 56.93 54.53 2jjt s PHE 57 Cb 0.08 -2.28 1.38 0.00 -0.57 0.00 0.00 43.02 41.63 2jjt s PHE 57 CO 0.80 -0.73 1.96 -1.00 -0.10 0.00 0.00 175.22 176.15 2jjt h PRO 58 N 6.36 0.00 0.00 0.24 0.13 -1.97 -3.05 132.00 133.70 2jjt h PRO 58 Ca 0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.88 2jjt h PRO 58 Cb 0.88 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 2jjt h PRO 58 CO 0.59 0.00 -1.77 0.54 -0.23 0.00 0.00 178.00 177.12 2jjt n ARG 59 N -2.92 0.64 -3.62 0.86 1.74 -1.26 -4.93 116.66 107.17 2jjt n ARG 59 Ca 0.01 0.20 -0.36 0.00 -0.77 0.00 0.00 57.85 56.93 2jjt n ARG 59 Cb 0.27 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 2jjt n ARG 59 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jjt s VAL 60 N -2.70 5.15 -0.15 1.55 1.01 -1.15 -1.79 120.40 122.31 2jjt s VAL 60 Ca -0.05 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2jjt s VAL 60 Cb 0.08 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.88 2jjt s VAL 60 CO 0.83 0.40 0.47 0.28 0.00 0.00 0.00 175.10 177.08 2jjt s THR 61 N -1.27 0.01 0.32 3.92 -1.32 -0.55 -4.82 115.64 111.92 2jjt s THR 61 Ca 0.28 -0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.42 2jjt s THR 61 Cb -0.14 -0.69 -0.10 0.00 -1.51 0.00 0.00 72.50 70.06 2jjt s THR 61 CO 0.15 -0.03 1.15 -0.89 -2.21 0.00 0.00 174.62 172.79 2jjt s THR 62 N -0.05 3.29 -0.03 5.08 2.01 -1.26 0.37 115.64 125.05 2jjt s THR 62 Ca -0.03 1.25 0.12 0.00 0.31 0.00 0.00 61.69 63.34 2jjt s THR 62 Cb -0.03 -3.77 -0.23 0.00 0.01 0.00 0.00 72.50 68.48 2jjt s THR 62 CO 0.02 0.26 0.72 0.58 -0.69 0.00 0.00 174.62 175.50 2jjt h VAL 63 N 2.91 0.93 -1.36 3.82 2.07 -1.79 -3.45 116.25 119.37 2jjt h VAL 63 Ca -0.48 -2.77 -0.48 0.00 0.82 0.00 0.00 66.70 63.79 2jjt h VAL 63 Cb 1.22 2.46 0.06 0.00 -1.52 0.00 0.00 31.29 33.51 2jjt h VAL 63 CO 0.66 0.53 0.02 -0.94 0.02 0.00 0.00 177.57 177.86 2jjt s SER 64 N -6.16 4.63 -1.13 0.57 1.04 -1.26 -5.02 113.70 106.36 2jjt s SER 64 Ca -0.04 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 2jjt s SER 64 Cb 0.08 0.28 0.15 0.00 0.10 0.00 0.00 66.02 66.63 2jjt s SER 64 CO 0.82 -1.68 1.36 -1.83 0.98 0.00 0.00 173.24 172.89 2jjt s GLU 65 N -4.94 3.95 0.00 4.02 1.03 -1.26 -4.83 118.70 116.67 2jjt s GLU 65 Ca 0.65 -2.32 0.30 0.00 0.03 0.00 0.00 54.97 53.63 2jjt s GLU 65 Cb -0.05 -5.05 1.55 0.00 -0.80 0.00 0.00 34.13 29.79 2jjt s GLU 65 CO 0.42 -1.79 2.05 -1.13 -1.33 0.00 0.00 175.26 173.48 2jjt n SER 66 N 6.04 0.14 -0.00 0.83 3.41 -1.26 -2.99 113.62 119.78 2jjt n SER 66 Ca 0.34 -0.49 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2jjt n SER 66 Cb 0.45 -0.16 0.67 0.00 -0.26 0.00 0.00 64.21 64.91 2jjt n SER 66 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jjt n THR 67 N -1.10 0.00 -3.90 6.66 -2.24 -1.26 -4.84 114.28 107.59 2jjt n THR 67 Ca 0.17 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 2jjt n THR 67 Cb 0.22 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 2jjt n THR 67 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jjt s LYS 68 N -2.00 3.42 0.26 -0.78 1.02 -1.16 -5.01 119.74 115.48 2jjt s LYS 68 Ca 0.34 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 2jjt s LYS 68 Cb 0.16 -3.16 0.29 0.00 -0.52 0.00 0.00 37.83 34.59 2jjt s LYS 68 CO 0.26 0.76 1.90 -0.09 -0.92 0.00 0.00 175.35 177.27 2jjt h ARG 69 N 4.85 1.22 0.00 1.68 2.43 -1.90 -3.03 114.38 119.63 2jjt h ARG 69 Ca -0.54 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2jjt h ARG 69 Cb 1.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2jjt h ARG 69 CO 0.59 0.86 0.00 0.93 -1.51 0.00 0.00 179.97 180.84 2jjt h GLU 70 N 1.24 0.00 -6.35 0.20 5.08 -1.95 -3.46 114.58 109.34 2jjt h GLU 70 Ca 0.32 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.14 2jjt h GLU 70 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2jjt h GLU 70 CO -0.06 0.00 1.02 1.21 -1.00 0.00 0.00 179.01 180.18 2jjt s ASN 71 N -5.37 6.67 -0.02 1.42 2.47 -1.15 -4.90 114.94 114.06 2jjt s ASN 71 Ca 0.02 2.32 0.09 0.00 0.42 0.00 0.00 52.86 55.71 2jjt s ASN 71 Cb 0.09 -2.55 0.25 0.00 -1.45 0.00 0.00 41.25 37.59 2jjt s ASN 71 CO 0.51 -0.88 1.20 0.23 -3.72 0.00 0.00 177.10 174.44 2jjt n MET 72 N 6.29 2.87 -4.22 0.43 2.81 -1.26 -4.97 117.12 119.06 2jjt n MET 72 Ca 0.16 -1.99 -0.34 0.00 -1.81 0.00 0.00 57.70 53.72 2jjt n MET 72 Cb 0.42 -1.26 -0.11 0.00 -0.71 0.00 0.00 33.22 31.57 2jjt n MET 72 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2jjt s ASP 73 N -1.13 5.21 -0.22 7.83 2.15 -1.26 -1.54 116.67 127.71 2jjt s ASP 73 Ca 0.19 -0.02 0.12 0.00 0.43 0.00 0.00 52.55 53.27 2jjt s ASP 73 Cb 0.11 -1.86 0.44 0.00 -0.30 0.00 0.00 42.92 41.32 2jjt s ASP 73 CO 0.11 0.18 1.20 0.49 -0.17 0.00 0.00 175.17 176.98 2jjt n PHE 74 N 3.47 0.96 -2.01 -5.34 3.72 0.17 -4.82 117.46 113.60 2jjt n PHE 74 Ca -0.17 -1.67 -0.34 0.00 -0.05 0.00 0.00 57.45 55.22 2jjt n PHE 74 Cb 0.52 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 2jjt n PHE 74 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jjt s SER 75 N -3.27 5.47 0.09 4.37 0.01 -1.23 -4.54 113.70 114.60 2jjt s SER 75 Ca 0.41 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.73 2jjt s SER 75 Cb 0.38 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2jjt s SER 75 CO -0.04 -1.39 -0.07 0.27 0.41 0.00 0.00 173.24 172.42 2jjt s ILE 76 N -2.12 0.66 -0.15 1.44 -4.36 -0.71 -2.31 121.20 113.64 2jjt s ILE 76 Ca 0.69 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 59.33 2jjt s ILE 76 Cb -0.21 -1.47 0.01 0.00 1.25 0.00 0.00 42.46 42.04 2jjt s ILE 76 CO 0.35 -0.78 -0.20 -0.55 0.24 0.00 0.00 174.94 174.00 2jjt s SER 77 N -2.75 3.26 -0.20 4.36 0.15 0.16 -1.39 113.70 117.29 2jjt s SER 77 Ca 0.07 -0.58 -0.09 0.00 0.70 0.00 0.00 55.95 56.05 2jjt s SER 77 Cb 0.02 -1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 62.80 2jjt s SER 77 CO -0.04 0.06 0.11 -0.63 1.20 0.00 0.00 173.24 173.94 2jjt s ILE 78 N 0.95 5.18 0.27 6.45 1.01 0.20 -1.48 121.20 133.78 2jjt s ILE 78 Ca -0.03 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2jjt s ILE 78 Cb -0.15 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2jjt s ILE 78 CO -0.04 0.44 0.40 -0.94 0.00 0.00 0.00 174.94 174.79 2jjt s SER 79 N 0.44 6.22 -1.07 3.58 1.04 -0.74 -0.72 113.70 122.45 2jjt s SER 79 Ca 0.06 0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 2jjt s SER 79 Cb -0.12 -1.68 0.02 0.00 0.10 0.00 0.00 66.02 64.34 2jjt s SER 79 CO -0.01 -0.18 0.69 0.59 0.98 0.00 0.00 173.24 175.31 2jjt n ASN 80 N -1.48 -4.78 -4.71 7.02 4.13 -1.23 -4.85 115.26 109.36 2jjt n ASN 80 Ca -0.06 -1.09 -0.42 0.00 1.68 0.00 0.00 54.58 54.69 2jjt n ASN 80 Cb 0.57 -2.20 -0.03 0.00 -1.54 0.00 0.00 39.78 36.58 2jjt n ASN 80 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jjt s ILE 81 N -3.33 2.90 0.28 2.41 -1.09 -0.58 -4.76 121.20 117.03 2jjt s ILE 81 Ca 0.33 0.60 0.12 0.00 -2.23 0.00 0.00 60.65 59.47 2jjt s ILE 81 Cb -0.16 -3.39 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2jjt s ILE 81 CO 0.92 0.04 -0.17 0.42 -1.23 0.00 0.00 174.94 174.92 2jjt s THR 82 N 1.41 2.58 0.58 2.92 -4.23 -1.26 0.10 115.64 117.74 2jjt s THR 82 Ca 0.69 -2.33 0.29 0.00 -1.18 0.00 0.00 61.69 59.16 2jjt s THR 82 Cb -0.41 -2.39 0.40 0.00 1.34 0.00 0.00 72.50 71.44 2jjt s THR 82 CO 0.31 -0.38 1.85 -0.65 -0.54 0.00 0.00 174.62 175.21 2jjt h PRO 83 N 2.20 0.00 0.00 3.99 0.11 -1.95 0.14 132.00 136.49 2jjt h PRO 83 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2jjt h PRO 83 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jjt h PRO 83 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2jjt h ALA 84 N 1.40 1.00 0.00 -0.75 0.00 -2.00 -2.96 119.26 115.95 2jjt h ALA 84 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jjt h ALA 84 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jjt h ALA 84 CO -0.00 0.00 -0.27 -0.25 0.00 0.00 0.00 179.25 178.72 2jjt n ASP 85 N -2.35 0.34 -4.75 0.00 8.00 0.49 -4.89 116.55 113.39 2jjt n ASP 85 Ca 0.01 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 2jjt n ASP 85 Cb 0.20 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2jjt n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjt n ALA 86 N -1.55 1.95 0.00 2.24 0.00 -1.12 -4.91 120.51 117.11 2jjt n ALA 86 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jjt n ALA 86 Cb 0.35 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2jjt n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjt n GLY 87 N 0.58 -1.34 3.60 0.00 0.00 -0.17 -4.98 105.19 102.88 2jjt n GLY 87 Ca 0.03 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2jjt n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjt s THR 88 N -2.50 5.31 -0.11 2.61 2.01 -1.26 0.67 115.64 122.37 2jjt s THR 88 Ca 0.00 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2jjt s THR 88 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2jjt s THR 88 CO 0.00 0.26 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.83 2jjt s TYR 89 N 1.68 3.01 -0.06 4.92 2.02 -0.00 -1.67 117.35 127.25 2jjt s TYR 89 Ca 0.08 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.71 2jjt s TYR 89 Cb -0.16 -1.83 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2jjt s TYR 89 CO 0.10 0.18 -0.20 0.71 -1.57 0.00 0.00 175.55 174.77 2jjt s TYR 90 N -0.28 2.06 -0.32 2.71 2.02 0.38 -1.35 117.35 122.56 2jjt s TYR 90 Ca 0.05 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 2jjt s TYR 90 Cb -0.13 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2jjt s TYR 90 CO 0.02 -0.24 0.24 0.00 -1.57 0.00 0.00 175.55 174.00 2jjt s VAL 92 N 1.77 1.71 -0.15 0.00 1.01 0.09 -0.72 120.40 124.11 2jjt s VAL 92 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2jjt s VAL 92 Cb -0.17 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2jjt s VAL 92 CO 0.11 0.48 0.14 -0.75 0.00 0.00 0.00 175.10 175.08 2jjt s LYS 93 N -0.33 3.75 0.25 2.72 2.47 0.90 -1.02 119.74 128.49 2jjt s LYS 93 Ca 0.03 -0.16 0.10 0.00 -1.56 0.00 0.00 55.97 54.39 2jjt s LYS 93 Cb -0.10 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.94 2jjt s LYS 93 CO 0.01 0.58 -0.09 -0.06 0.16 0.00 0.00 175.35 175.95 2jjt s PHE 94 N -0.46 2.54 0.05 4.03 0.08 0.11 -0.88 117.98 123.46 2jjt s PHE 94 Ca 0.12 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 56.96 2jjt s PHE 94 Cb -0.12 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 2jjt s PHE 94 CO 0.02 0.63 -0.06 1.03 -0.10 0.00 0.00 175.22 176.73 2jjt s ARG 95 N -3.43 2.42 0.31 0.44 0.52 -0.10 -3.62 118.95 115.49 2jjt s ARG 95 Ca 0.29 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 54.39 2jjt s ARG 95 Cb -0.06 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.86 2jjt s ARG 95 CO 0.17 0.56 1.09 0.15 0.02 0.00 0.00 175.30 177.29 2jjt s LYS 96 N -1.85 4.50 0.04 3.54 -0.14 -1.14 -1.40 119.74 123.30 2jjt s LYS 96 Ca 0.20 1.73 -0.15 0.00 -1.36 0.00 0.00 55.97 56.39 2jjt s LYS 96 Cb -0.11 -3.01 0.05 0.00 -1.68 0.00 0.00 37.83 33.08 2jjt s LYS 96 CO 0.12 0.10 0.70 0.41 -0.76 0.00 0.00 175.35 175.93 2jjt n GLY 97 N 0.97 0.59 3.09 -3.33 0.00 -1.26 -4.83 105.19 100.42 2jjt n GLY 97 Ca 0.01 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 2jjt n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jjt s SER 98 N -2.60 5.62 0.72 1.61 0.01 -1.26 -2.64 113.70 115.16 2jjt s SER 98 Ca 0.16 -3.35 0.01 0.00 1.31 0.00 0.00 55.95 54.08 2jjt s SER 98 Cb -0.01 -1.88 0.14 0.00 0.21 0.00 0.00 66.02 64.48 2jjt s SER 98 CO 0.01 -0.26 0.99 -2.16 0.41 0.00 0.00 173.24 172.23 2jjt s PRO 99 N -0.80 1.65 0.78 12.44 0.04 -1.26 -5.14 135.00 142.71 2jjt s PRO 99 Ca 0.23 -1.27 -0.14 0.00 0.04 0.00 0.00 61.00 59.86 2jjt s PRO 99 Cb -0.13 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 32.11 2jjt s PRO 99 CO -0.09 -1.46 1.20 -0.51 0.04 0.00 0.00 177.00 176.18 2jjt s ASP 100 N -4.78 3.86 0.08 6.66 1.01 -1.08 -4.97 116.67 117.45 2jjt s ASP 100 Ca 0.67 2.35 0.07 0.00 0.71 0.00 0.00 52.55 56.34 2jjt s ASP 100 Cb -0.04 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2jjt s ASP 100 CO 0.44 -2.49 -0.18 0.42 0.21 0.00 0.00 175.17 173.58 2jjt s THR 101 N -2.10 1.42 -0.01 -1.27 -4.23 -0.49 -4.88 115.64 104.08 2jjt s THR 101 Ca 0.73 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 2jjt s THR 101 Cb -0.29 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 2jjt s THR 101 CO 0.49 -0.09 1.23 -0.70 -0.54 0.00 0.00 174.62 175.00 2jjt s GLU 102 N -1.69 4.37 -0.22 3.99 2.12 -1.26 -0.93 118.70 125.08 2jjt s GLU 102 Ca 0.03 1.74 -0.16 0.00 0.36 0.00 0.00 54.97 56.94 2jjt s GLU 102 Cb -0.10 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 2jjt s GLU 102 CO 0.03 -0.40 -0.35 0.34 -0.54 0.00 0.00 175.26 174.33 2jjt n PHE 103 N 4.82 0.00 -3.77 5.30 7.35 -0.06 -4.88 117.46 126.22 2jjt n PHE 103 Ca 0.11 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.67 2jjt n PHE 103 Cb 0.46 -0.72 -0.09 0.00 0.35 0.00 0.00 39.48 39.48 2jjt n PHE 103 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2jjt s LYS 104 N -2.74 0.63 0.07 -4.13 1.02 -1.09 -5.02 119.74 108.47 2jjt s LYS 104 Ca -0.33 -0.17 0.08 0.00 0.02 0.00 0.00 55.97 55.57 2jjt s LYS 104 Cb 0.09 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 2jjt s LYS 104 CO 0.46 -0.17 -0.23 0.45 -0.92 0.00 0.00 175.35 174.94 2jjt s SER 105 N -1.23 2.71 0.89 2.83 0.15 -1.26 -0.07 113.70 117.73 2jjt s SER 105 Ca -0.13 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 2jjt s SER 105 Cb -0.05 -0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.18 2jjt s SER 105 CO 0.04 0.16 1.10 -0.83 1.20 0.00 0.00 173.24 174.90 2jjt s GLY 106 N -1.45 1.64 0.02 9.45 0.00 0.10 -4.76 107.32 112.33 2jjt s GLY 106 Ca 0.09 0.14 0.26 0.00 0.00 0.00 0.00 44.72 45.21 2jjt s GLY 106 CO 0.03 0.60 1.83 0.00 0.00 0.00 0.00 173.10 175.56 2jjt n ALA 107 N -3.96 2.19 0.00 3.20 0.00 -1.26 -4.71 120.51 115.97 2jjt n ALA 107 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jjt n ALA 107 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2jjt n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjt n GLY 108 N 1.18 2.92 2.87 0.00 0.00 -1.26 -5.06 105.19 105.84 2jjt n GLY 108 Ca 0.06 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 2jjt n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjt s THR 109 N -1.53 1.06 -0.33 2.61 2.01 -0.46 -4.48 115.64 114.52 2jjt s THR 109 Ca 0.00 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 2jjt s THR 109 Cb 0.00 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.21 2jjt s THR 109 CO 0.00 0.04 0.98 -0.70 -0.69 0.00 0.00 174.62 174.24 2jjt s GLU 110 N 1.64 3.98 -0.17 4.92 2.56 -0.18 -0.82 118.70 130.63 2jjt s GLU 110 Ca -0.01 0.84 -0.09 0.00 0.00 0.00 0.00 54.97 55.71 2jjt s GLU 110 Cb -0.16 -3.75 -0.05 0.00 2.00 0.00 0.00 34.13 32.17 2jjt s GLU 110 CO -0.07 -0.87 0.12 -1.17 -0.56 0.00 0.00 175.26 172.71 2jjt s LEU 111 N 3.47 4.21 0.09 2.70 2.96 0.21 -0.73 118.68 131.59 2jjt s LEU 111 Ca 0.41 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.68 2jjt s LEU 111 Cb -0.12 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2jjt s LEU 111 CO 0.16 0.25 -0.20 -0.94 -1.32 0.00 0.00 176.35 174.30 2jjt s SER 112 N -0.06 2.39 -0.05 3.68 1.04 -0.26 -1.00 113.70 119.45 2jjt s SER 112 Ca 0.10 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.90 2jjt s SER 112 Cb -0.11 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 2jjt s SER 112 CO -0.00 0.04 -0.18 -0.69 0.98 0.00 0.00 173.24 173.39 2jjt s VAL 113 N -1.16 2.76 -0.10 5.02 1.01 -1.26 -1.95 120.40 124.72 2jjt s VAL 113 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2jjt s VAL 113 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2jjt s VAL 113 CO 0.04 0.58 0.06 0.00 0.00 0.00 0.00 175.10 175.78 2jjt s ARG 114 N -0.58 3.21 0.00 2.72 1.70 -0.30 -4.93 118.95 120.77 2jjt s ARG 114 Ca 0.08 -0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 2jjt s ARG 114 Cb -0.11 -2.96 0.00 0.00 -0.57 0.00 0.00 34.95 31.31 2jjt s ARG 114 CO 0.01 0.71 0.00 0.00 -1.08 0.00 0.00 175.30 174.94