#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtd n GLU 2 N 0.00 0.00 -2.30 3.49 2.13 -1.26 -5.04 120.64 117.67 2jtd n GLU 2 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2jtd n GLU 2 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2jtd n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2jtd s GLU 3 N -2.00 3.13 0.17 5.31 0.41 -1.26 -4.67 118.70 119.79 2jtd s GLU 3 Ca 0.00 -1.24 0.05 0.00 -0.41 0.00 0.00 54.97 53.37 2jtd s GLU 3 Cb 0.00 -5.32 0.00 0.00 -1.78 0.00 0.00 34.13 27.04 2jtd s GLU 3 CO 0.00 -3.07 1.39 1.98 -0.49 0.00 0.00 175.26 175.08 2jtd h MET 4 N 9.39 0.10 0.00 1.61 1.85 -2.03 -3.24 114.93 122.62 2jtd h MET 4 Ca 0.26 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.23 2jtd h MET 4 Cb 0.94 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.01 2jtd h MET 4 CO 1.33 0.90 -0.05 0.87 -0.40 0.00 0.00 176.91 179.56 2jtd h LYS 5 N 0.05 0.00 -0.02 0.39 1.57 -2.03 -1.28 116.57 115.26 2jtd h LYS 5 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2jtd h LYS 5 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 2jtd h LYS 5 CO 0.12 0.05 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.83 2jtd h ARG 6 N 0.00 0.03 0.00 3.15 2.43 -1.95 -1.77 114.38 116.27 2jtd h ARG 6 Ca -0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2jtd h ARG 6 Cb 0.09 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2jtd h ARG 6 CO 0.01 0.16 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.32 2jtd h LEU 7 N 0.03 0.00 -0.62 3.80 3.38 -1.40 -2.06 115.31 118.44 2jtd h LEU 7 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jtd h LEU 7 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jtd h LEU 7 CO 0.02 0.24 -0.54 -0.07 0.09 0.00 0.00 178.44 178.17 2jtd h LEU 8 N 0.00 0.00 0.00 1.67 -0.00 -1.41 -2.92 115.31 112.65 2jtd h LEU 8 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 2jtd h LEU 8 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2jtd h LEU 8 CO 0.03 0.54 -0.32 0.00 -0.00 0.00 0.00 178.44 178.69 2jtd h ALA 9 N 1.46 0.80 -2.61 1.53 0.00 -1.38 -3.46 119.26 115.61 2jtd h ALA 9 Ca -0.01 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.10 2jtd h ALA 9 Cb 1.14 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.95 2jtd h ALA 9 CO 0.07 0.37 1.02 -0.11 0.00 0.00 0.00 179.25 180.60 2jtd n LEU 10 N -3.16 3.96 -3.78 0.00 0.00 -0.98 -4.61 117.00 108.42 2jtd n LEU 10 Ca 0.03 1.05 -0.11 0.00 0.00 0.00 0.00 56.01 56.98 2jtd n LEU 10 Cb 0.65 -1.56 -0.08 0.00 0.00 0.00 0.00 43.42 42.43 2jtd n LEU 10 CO 0.38 0.16 -0.01 -0.55 0.00 0.00 0.00 177.39 177.37 2jtd s SER 11 N 1.37 -0.08 0.30 1.96 0.15 -1.26 -5.03 113.70 111.11 2jtd s SER 11 Ca 0.76 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 2jtd s SER 11 Cb -0.51 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2jtd s SER 11 CO 0.33 -0.59 0.55 -1.10 1.20 0.00 0.00 173.24 173.63 2jtd s GLN 12 N -2.52 3.61 -0.09 5.44 -0.21 -1.26 -5.01 119.66 119.63 2jtd s GLN 12 Ca -0.05 -0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 2jtd s GLN 12 Cb -0.01 -2.65 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 2jtd s GLN 12 CO -0.03 0.20 2.05 -1.83 -2.12 0.00 0.00 175.29 173.56 2jtd s GLU 13 N -3.63 3.69 0.17 2.91 -1.05 -1.26 -4.80 118.70 114.73 2jtd s GLU 13 Ca 0.43 2.30 0.00 0.00 -0.15 0.00 0.00 54.97 57.55 2jtd s GLU 13 Cb -0.11 -4.24 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 2jtd s GLU 13 CO 0.31 -1.47 0.00 1.58 0.95 0.00 0.00 175.26 176.63 2jtd n HIS 14 N 9.36 -0.96 -2.14 4.83 -0.00 -1.26 -5.00 115.22 120.06 2jtd n HIS 14 Ca 0.24 0.17 -0.42 0.00 0.46 0.00 0.00 57.72 58.17 2jtd n HIS 14 Cb 0.43 0.22 -0.03 0.00 -0.12 0.00 0.00 29.99 30.50 2jtd n HIS 14 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2jtd s LYS 15 N -2.00 3.21 -0.11 1.57 -2.85 -1.26 -4.83 119.74 113.47 2jtd s LYS 15 Ca 0.00 0.99 0.03 0.00 -1.00 0.00 0.00 55.97 55.99 2jtd s LYS 15 Cb 0.00 -4.20 -0.09 0.00 -2.06 0.00 0.00 37.83 31.48 2jtd s LYS 15 CO 0.00 -2.02 -0.07 0.34 0.10 0.00 0.00 175.35 173.71 2jtd n PHE 16 N 10.47 0.00 0.00 1.78 7.35 -1.26 -4.96 117.46 130.84 2jtd n PHE 16 Ca 0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2jtd n PHE 16 Cb 0.49 -0.47 0.00 0.00 0.35 0.00 0.00 39.48 39.84 2jtd n PHE 16 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2jtd n PRO 17 N -2.71 0.00 -3.63 -7.13 -0.02 -1.26 -4.00 135.00 116.25 2jtd n PRO 17 Ca -0.20 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.00 2jtd n PRO 17 Cb 0.76 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 34.08 2jtd n PRO 17 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jtd s THR 18 N -1.10 0.21 -0.00 3.45 2.01 -1.26 -5.11 115.64 113.84 2jtd s THR 18 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2jtd s THR 18 Cb 0.00 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 2jtd s THR 18 CO 0.00 -0.52 -0.04 0.68 -0.69 0.00 0.00 174.62 174.05 2jtd s VAL 19 N 1.98 0.34 -0.05 3.82 -7.23 -1.26 -5.08 120.40 112.92 2jtd s VAL 19 Ca 0.06 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.99 2jtd s VAL 19 Cb -0.16 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 2jtd s VAL 19 CO -0.23 0.10 0.27 -0.65 -0.31 0.00 0.00 175.10 174.28 2jtd h PRO 20 N 6.08 -0.18 0.00 4.82 0.11 -1.97 -3.47 132.00 137.38 2jtd h PRO 20 Ca -0.28 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.70 2jtd h PRO 20 Cb 1.19 0.04 0.04 0.00 0.11 0.00 0.00 31.00 32.39 2jtd h PRO 20 CO 0.50 -0.12 0.09 2.41 -0.21 0.00 0.00 178.00 180.68 2jtd n THR 21 N -4.15 0.00 -0.92 -1.15 -1.04 -1.26 -4.99 114.28 100.78 2jtd n THR 21 Ca -0.02 -0.40 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 2jtd n THR 21 Cb 0.07 -1.58 0.31 0.00 -1.82 0.00 0.00 70.33 67.31 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jtd n LYS 22 N -1.77 3.58 -3.28 -2.82 4.76 -1.26 -4.79 118.16 112.57 2jtd n LYS 22 Ca 0.05 -2.92 -0.46 0.00 -2.87 0.00 0.00 58.31 52.12 2jtd n LYS 22 Cb 0.19 -1.96 -0.01 0.00 -1.84 0.00 0.00 35.03 31.41 2jtd n LYS 22 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jtd s SER 23 N -1.50 7.06 -0.11 4.39 0.01 -1.24 -3.45 113.70 118.86 2jtd s SER 23 Ca 0.46 -3.12 -0.09 0.00 1.31 0.00 0.00 55.95 54.51 2jtd s SER 23 Cb 0.36 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2jtd s SER 23 CO 0.12 -0.48 0.18 -0.70 0.41 0.00 0.00 173.24 172.77 2jtd s GLU 24 N -0.26 3.61 -0.35 12.44 -6.30 -0.10 -4.71 118.70 123.03 2jtd s GLU 24 Ca 0.27 -0.06 -0.08 0.00 -2.50 0.00 0.00 54.97 52.61 2jtd s GLU 24 Cb -0.09 -3.23 0.04 0.00 0.00 0.00 0.00 34.13 30.85 2jtd s GLU 24 CO -0.08 0.70 0.14 -1.17 0.02 0.00 0.00 175.26 174.87 2jtd s LEU 25 N -0.84 4.46 -0.20 2.70 1.98 -1.26 -2.01 118.68 123.51 2jtd s LEU 25 Ca 0.16 -1.12 -0.04 0.00 -2.89 0.00 0.00 54.13 50.24 2jtd s LEU 25 Cb -0.13 -1.91 -0.01 0.00 0.66 0.00 0.00 46.19 44.80 2jtd s LEU 25 CO 0.05 -0.35 -0.04 0.00 -1.89 0.00 0.00 176.35 174.11 2jtd s ALA 26 N 1.44 2.85 -0.10 5.97 0.00 -0.41 -5.03 121.76 126.49 2jtd s ALA 26 Ca -0.01 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2jtd s ALA 26 Cb -0.20 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2jtd s ALA 26 CO 0.04 -0.26 -0.11 0.08 0.00 0.00 0.00 175.76 175.51 2jtd s VAL 27 N 1.20 1.18 -0.04 0.00 1.01 -1.25 -1.85 120.40 120.64 2jtd s VAL 27 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2jtd s VAL 27 Cb -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2jtd s VAL 27 CO -0.01 0.38 -0.19 -0.70 0.00 0.00 0.00 175.10 174.58 2jtd s GLU 28 N 1.26 2.40 -0.14 2.72 2.12 0.12 -4.95 118.70 122.22 2jtd s GLU 28 Ca -0.03 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 2jtd s GLU 28 Cb -0.14 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 2jtd s GLU 28 CO -0.04 0.57 -0.10 0.42 -0.54 0.00 0.00 175.26 175.57 2jtd s ILE 29 N -0.61 3.27 0.12 -3.70 1.01 -1.26 -0.51 121.20 119.52 2jtd s ILE 29 Ca 0.09 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2jtd s ILE 29 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2jtd s ILE 29 CO 0.00 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 174.63 2jtd s LEU 30 N 0.45 3.17 0.23 2.97 1.43 -0.67 -4.71 118.68 121.55 2jtd s LEU 30 Ca -0.08 -0.36 0.23 0.00 -1.03 0.00 0.00 54.13 52.89 2jtd s LEU 30 Cb -0.15 -1.92 0.94 0.00 0.03 0.00 0.00 46.19 45.09 2jtd s LEU 30 CO 0.04 0.16 1.70 -1.84 0.23 0.00 0.00 176.35 176.64 2jtd n GLU 31 N 0.50 0.18 0.00 1.70 0.28 -1.26 -2.30 120.64 119.74 2jtd n GLU 31 Ca -0.12 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2jtd n GLU 31 Cb 0.53 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.57 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jtd n LYS 32 N -2.17 0.99 -3.23 3.44 5.02 -1.26 -4.79 118.16 116.15 2jtd n LYS 32 Ca 0.03 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 2jtd n LYS 32 Cb 0.25 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.91 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtd n GLY 33 N 0.08 -0.24 3.17 0.72 0.00 -0.97 -5.00 105.19 102.94 2jtd n GLY 33 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2jtd n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtd s GLN 34 N -5.27 2.99 -0.29 1.61 -1.52 -1.08 -4.61 119.66 111.49 2jtd s GLN 34 Ca 0.07 -0.85 -0.15 0.00 -1.95 0.00 0.00 55.36 52.48 2jtd s GLN 34 Cb -0.03 -2.74 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2jtd s GLN 34 CO 0.61 -0.26 0.38 0.08 -0.25 0.00 0.00 175.29 175.85 2jtd s VAL 35 N 1.32 5.17 -0.44 1.09 1.01 -1.17 -1.66 120.40 125.70 2jtd s VAL 35 Ca 0.03 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 2jtd s VAL 35 Cb -0.14 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2jtd s VAL 35 CO -0.09 0.09 0.50 -0.60 0.00 0.00 0.00 175.10 174.99 2jtd s ARG 36 N 2.08 3.11 -0.14 2.72 6.06 0.34 -3.52 118.95 129.60 2jtd s ARG 36 Ca 0.14 -0.79 0.00 0.00 -2.50 0.00 0.00 55.73 52.59 2jtd s ARG 36 Cb -0.16 -4.01 0.02 0.00 0.06 0.00 0.00 34.95 30.87 2jtd s ARG 36 CO 0.11 -0.96 -0.13 0.12 -2.50 0.00 0.00 175.30 171.93 2jtd s PHE 37 N 2.27 2.04 -0.06 5.12 2.19 -1.09 -0.71 117.98 127.75 2jtd s PHE 37 Ca 0.13 -1.11 -0.15 0.00 0.33 0.00 0.00 56.93 56.13 2jtd s PHE 37 Cb -0.18 -1.52 0.03 0.00 -1.31 0.00 0.00 43.02 40.04 2jtd s PHE 37 CO 0.13 -0.62 0.35 1.67 1.83 0.00 0.00 175.22 178.59 2jtd s TRP 38 N 1.44 -0.29 0.06 10.12 1.48 -0.77 -0.30 118.94 130.69 2jtd s TRP 38 Ca 0.03 0.57 0.03 0.00 -1.06 0.00 0.00 56.10 55.67 2jtd s TRP 38 Cb -0.13 0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.28 2jtd s TRP 38 CO -0.09 -0.33 -0.09 0.00 -4.06 0.00 0.00 176.95 172.38 2jtd s MET 39 N -0.78 0.63 0.11 3.25 0.23 0.09 -1.29 119.30 121.54 2jtd s MET 39 Ca -0.09 -0.87 0.05 0.00 -1.03 0.00 0.00 55.69 53.76 2jtd s MET 39 Cb -0.04 -0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 32.83 2jtd s MET 39 CO 0.03 0.07 -0.13 -1.14 -2.03 0.00 0.00 175.02 171.82 2jtd s GLN 40 N -1.89 0.95 0.07 3.16 0.74 -0.85 -0.21 119.66 121.64 2jtd s GLN 40 Ca -0.06 -1.18 0.01 0.00 0.05 0.00 0.00 55.36 54.19 2jtd s GLN 40 Cb -0.08 -0.81 -0.04 0.00 1.10 0.00 0.00 33.01 33.18 2jtd s GLN 40 CO 0.00 0.15 -0.06 0.00 -0.55 0.00 0.00 175.29 174.84 2jtd s ALA 41 N -2.08 0.75 -0.13 1.58 0.00 -1.15 -0.92 121.76 119.81 2jtd s ALA 41 Ca 0.07 -1.13 0.15 0.00 0.00 0.00 0.00 51.96 51.05 2jtd s ALA 41 Cb -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2jtd s ALA 41 CO 0.02 -0.19 1.16 1.05 0.00 0.00 0.00 175.76 177.80 2jtd h GLU 42 N 3.50 0.00 -5.71 0.00 4.11 -1.92 -3.44 114.58 111.12 2jtd h GLU 42 Ca -0.35 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.39 2jtd h GLU 42 Cb 1.17 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.10 2jtd h GLU 42 CO 0.57 0.43 -0.88 0.15 0.07 0.00 0.00 179.01 179.35 2jtd s LYS 43 N -2.93 2.78 -0.05 1.06 -0.14 -1.26 -5.05 119.74 114.15 2jtd s LYS 43 Ca 0.01 -0.89 -0.09 0.00 -1.36 0.00 0.00 55.97 53.63 2jtd s LYS 43 Cb 0.08 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 2jtd s LYS 43 CO 0.78 0.29 -0.18 1.28 -0.76 0.00 0.00 175.35 176.76 2jtd n LEU 44 N 3.20 1.49 -4.69 3.17 4.77 -1.26 -4.59 117.00 119.10 2jtd n LEU 44 Ca -0.18 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 2jtd n LEU 44 Cb 0.52 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2jtd n LEU 44 CO 0.27 -0.50 1.24 -0.44 -1.33 0.00 0.00 177.39 176.63 2jtd s SER 45 N -5.88 6.72 -1.49 -1.43 0.01 -1.26 -2.87 113.70 107.49 2jtd s SER 45 Ca -0.15 2.29 -0.12 0.00 1.31 0.00 0.00 55.95 59.28 2jtd s SER 45 Cb 0.02 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.76 2jtd s SER 45 CO 0.22 -0.82 0.96 -1.54 0.41 0.00 0.00 173.24 172.47 2jtd n SER 46 N 5.68 -5.10 -3.80 2.44 3.41 -1.26 -4.97 113.62 110.02 2jtd n SER 46 Ca 0.15 -0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 57.95 2jtd n SER 46 Cb 0.42 -4.07 -0.10 0.00 -0.26 0.00 0.00 64.21 60.20 2jtd n SER 46 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jtd s ASN 47 N -3.22 -0.17 -0.13 4.04 2.47 -1.14 -5.05 114.94 111.75 2jtd s ASN 47 Ca 0.62 0.18 -0.05 0.00 0.42 0.00 0.00 52.86 54.02 2jtd s ASN 47 Cb -0.30 0.37 0.02 0.00 -1.45 0.00 0.00 41.25 39.89 2jtd s ASN 47 CO 0.76 -0.30 0.11 0.00 -3.72 0.00 0.00 177.10 173.95 2jtd n ALA 48 N 1.91 -3.40 -2.59 1.71 0.00 -1.26 -4.70 120.51 112.19 2jtd n ALA 48 Ca -0.19 1.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.99 2jtd n ALA 48 Cb 0.57 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 2jtd n ALA 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jtd s LYS 49 N -0.85 3.94 -0.32 0.00 -2.85 -1.18 -4.97 119.74 113.51 2jtd s LYS 49 Ca -0.12 -0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 54.46 2jtd s LYS 49 Cb 0.01 -3.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.11 2jtd s LYS 49 CO 0.47 -0.20 0.15 0.08 0.10 0.00 0.00 175.35 175.95 2jtd s VAL 50 N 1.79 4.51 -0.58 1.79 1.01 -1.26 -1.02 120.40 126.64 2jtd s VAL 50 Ca 0.08 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 2jtd s VAL 50 Cb -0.16 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.92 2jtd s VAL 50 CO 0.11 0.02 1.05 -0.44 0.00 0.00 0.00 175.10 175.83 2jtd s SER 51 N 1.59 6.35 -1.24 3.32 0.01 -0.46 -4.95 113.70 118.32 2jtd s SER 51 Ca 0.04 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 56.85 2jtd s SER 51 Cb -0.17 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2jtd s SER 51 CO 0.06 -1.37 1.70 -0.31 0.41 0.00 0.00 173.24 173.74 2jtd s TYR 52 N 4.40 2.67 -0.38 2.43 2.02 -1.26 -2.92 117.35 124.31 2jtd s TYR 52 Ca 0.34 -1.32 -0.17 0.00 -0.37 0.00 0.00 57.07 55.55 2jtd s TYR 52 Cb -0.11 -4.69 0.00 0.00 -0.40 0.00 0.00 41.96 36.77 2jtd s TYR 52 CO 0.20 -1.79 0.46 0.42 -1.57 0.00 0.00 175.55 173.27 2jtd s ILE 53 N 4.90 5.06 -0.24 2.71 -1.09 -0.98 -1.76 121.20 129.80 2jtd s ILE 53 Ca 0.54 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2jtd s ILE 53 Cb 0.03 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2jtd s ILE 53 CO 0.05 -0.28 -0.10 0.12 -1.23 0.00 0.00 174.94 173.50 2jtd s PHE 54 N 2.26 3.08 -1.57 3.97 5.36 0.13 0.51 117.98 131.72 2jtd s PHE 54 Ca 0.15 -1.83 -0.01 0.00 -0.96 0.00 0.00 56.93 54.29 2jtd s PHE 54 Cb -0.16 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 2jtd s PHE 54 CO 0.13 -0.80 0.09 -1.71 -1.46 0.00 0.00 175.22 171.48 2jtd n ASN 55 N 4.58 -5.46 -0.89 6.13 4.05 -0.69 -1.18 115.26 121.81 2jtd n ASN 55 Ca -0.16 -0.06 -0.10 0.00 0.45 0.00 0.00 54.58 54.71 2jtd n ASN 55 Cb 0.46 -4.48 -0.03 0.00 1.23 0.00 0.00 39.78 36.96 2jtd n ASN 55 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jtd n GLU 56 N -2.94 -0.74 -4.78 1.20 1.02 -1.26 -5.02 120.64 108.12 2jtd n GLU 56 Ca -0.20 0.76 -0.24 0.00 -0.02 0.00 0.00 57.16 57.46 2jtd n GLU 56 Cb 0.66 -4.73 -0.15 0.00 -0.02 0.00 0.00 31.44 27.20 2jtd n GLU 56 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtd s LYS 57 N -3.31 1.33 0.18 3.49 1.02 -0.33 -5.07 119.74 117.05 2jtd s LYS 57 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2jtd s LYS 57 Cb 0.00 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 35.95 2jtd s LYS 57 CO 0.00 0.35 1.01 -1.21 -0.92 0.00 0.00 175.35 174.58 2jtd s GLU 58 N -0.39 4.70 0.20 1.68 2.02 -1.25 0.23 118.70 125.89 2jtd s GLU 58 Ca 0.06 1.58 0.07 0.00 0.02 0.00 0.00 54.97 56.70 2jtd s GLU 58 Cb -0.06 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2jtd s GLU 58 CO -0.01 0.25 0.06 0.96 0.02 0.00 0.00 175.26 176.54 2jtd s ILE 59 N -0.48 3.93 0.21 -1.63 -4.36 -0.72 -4.92 121.20 113.21 2jtd s ILE 59 Ca 0.46 -1.46 0.07 0.00 -0.26 0.00 0.00 60.65 59.46 2jtd s ILE 59 Cb -0.27 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.37 2jtd s ILE 59 CO 0.33 -0.20 -0.12 -0.36 0.24 0.00 0.00 174.94 174.83 2jtd s PHE 60 N -1.92 1.67 0.41 1.37 0.08 -1.26 -4.90 117.98 113.43 2jtd s PHE 60 Ca 0.30 -0.64 -0.26 0.00 0.12 0.00 0.00 56.93 56.46 2jtd s PHE 60 Cb -0.09 -0.82 -0.08 0.00 -0.57 0.00 0.00 43.02 41.46 2jtd s PHE 60 CO 0.21 0.29 1.27 -2.00 -0.10 0.00 0.00 175.22 174.89 2jtd s GLU 61 N -3.68 3.94 0.00 0.44 2.12 -1.26 -4.73 118.70 115.52 2jtd s GLU 61 Ca 0.23 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.64 2jtd s GLU 61 Cb 0.01 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.69 2jtd s GLU 61 CO 0.07 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 2jtd n GLY 62 N 0.66 2.05 0.27 -1.50 0.00 0.47 -4.96 105.19 102.18 2jtd n GLY 62 Ca 0.04 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2jtd n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jtd h PRO 63 N 0.00 -0.59 0.00 1.61 0.11 -2.04 -3.37 132.00 127.72 2jtd h PRO 63 Ca 0.00 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 2jtd h PRO 63 Cb 0.00 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2jtd h PRO 63 CO 0.00 -0.37 -1.07 -0.22 -0.21 0.00 0.00 178.00 176.13 2jtd h LYS 64 N -1.14 0.00 -5.31 1.05 3.11 -1.95 -3.45 116.57 108.87 2jtd h LYS 64 Ca -0.06 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 57.16 2jtd h LYS 64 Cb 0.50 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.59 2jtd h LYS 64 CO 0.10 0.15 -0.53 0.71 -2.81 0.00 0.00 179.45 177.07 2jtd s TYR 65 N -3.15 3.33 -0.08 1.91 2.02 -1.26 -4.16 117.35 115.95 2jtd s TYR 65 Ca -0.01 0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2jtd s TYR 65 Cb 0.09 -2.09 0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2jtd s TYR 65 CO 0.79 0.25 0.04 0.21 -1.57 0.00 0.00 175.55 175.27 2jtd s LYS 66 N 0.25 0.24 -0.15 -0.62 2.47 -1.23 -0.40 119.74 120.31 2jtd s LYS 66 Ca 0.06 0.15 -0.09 0.00 -1.56 0.00 0.00 55.97 54.53 2jtd s LYS 66 Cb -0.12 -1.01 0.05 0.00 -1.46 0.00 0.00 37.83 35.29 2jtd s LYS 66 CO -0.00 -0.40 0.37 1.41 0.16 0.00 0.00 175.35 176.88 2jtd s MET 67 N 2.07 0.35 0.26 4.03 -2.45 -1.26 -0.06 119.30 122.24 2jtd s MET 67 Ca 0.04 0.69 0.03 0.00 -1.25 0.00 0.00 55.69 55.20 2jtd s MET 67 Cb -0.13 -0.02 -0.05 0.00 1.25 0.00 0.00 34.83 35.88 2jtd s MET 67 CO -0.05 -0.15 0.05 -1.01 1.05 0.00 0.00 175.02 174.91 2jtd s HIS 68 N 1.22 1.63 -0.09 4.11 3.76 0.66 -4.91 115.29 121.66 2jtd s HIS 68 Ca -0.08 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 53.79 2jtd s HIS 68 Cb -0.08 -0.98 0.03 0.00 1.11 0.00 0.00 32.58 32.66 2jtd s HIS 68 CO -0.10 -0.14 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.12 2jtd s ILE 69 N -3.52 0.63 0.20 0.60 2.07 -1.26 -1.64 121.20 118.27 2jtd s ILE 69 Ca 0.33 -0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 59.37 2jtd s ILE 69 Cb 0.07 -0.73 -0.08 0.00 0.13 0.00 0.00 42.46 41.85 2jtd s ILE 69 CO 0.12 0.30 0.64 -0.62 -1.91 0.00 0.00 174.94 173.47 2jtd s ASP 70 N 1.86 6.93 0.00 4.50 2.15 0.78 -4.98 116.67 127.91 2jtd s ASP 70 Ca 0.05 1.25 0.01 0.00 0.43 0.00 0.00 52.55 54.28 2jtd s ASP 70 Cb -0.12 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2jtd s ASP 70 CO -0.06 0.04 0.76 0.54 -0.17 0.00 0.00 175.17 176.28 2jtd n ARG 71 N 0.66 0.96 -0.09 4.34 1.74 -1.26 -3.69 116.66 119.32 2jtd n ARG 71 Ca -0.03 -1.01 -0.12 0.00 -0.77 0.00 0.00 57.85 55.92 2jtd n ARG 71 Cb 0.52 -1.01 -0.15 0.00 -1.02 0.00 0.00 32.46 30.79 2jtd n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jtd n ASN 72 N -0.20 0.58 0.00 0.55 4.05 -1.26 -4.64 115.26 114.34 2jtd n ASN 72 Ca 0.00 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2jtd n ASN 72 Cb 0.13 0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.63 2jtd n ASN 72 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2jtd n THR 73 N -2.92 0.00 0.00 -0.44 -1.04 -1.26 -5.03 114.28 103.58 2jtd n THR 73 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2jtd n THR 73 Cb 1.11 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2jtd n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtd n GLY 74 N 2.70 1.78 3.51 3.41 0.00 -1.25 -4.64 105.19 110.70 2jtd n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2jtd n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtd s ILE 75 N -2.00 4.92 -0.41 -0.61 -1.09 -1.24 -2.95 121.20 117.82 2jtd s ILE 75 Ca 0.00 -0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.23 2jtd s ILE 75 Cb 0.00 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 2jtd s ILE 75 CO 0.00 -0.52 0.32 -0.63 -1.23 0.00 0.00 174.94 172.88 2jtd s ILE 76 N 2.57 5.23 0.02 2.92 1.01 0.71 -0.15 121.20 133.51 2jtd s ILE 76 Ca 0.19 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2jtd s ILE 76 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2jtd s ILE 76 CO 0.17 -0.32 -0.10 -1.83 0.00 0.00 0.00 174.94 172.86 2jtd s GLU 77 N 1.76 2.38 -0.02 2.79 4.04 -0.65 -0.73 118.70 128.27 2jtd s GLU 77 Ca 0.06 -0.83 0.01 0.00 0.04 0.00 0.00 54.97 54.26 2jtd s GLU 77 Cb -0.19 -2.39 0.01 0.00 0.02 0.00 0.00 34.13 31.58 2jtd s GLU 77 CO 0.11 0.57 -0.04 1.41 -1.84 0.00 0.00 175.26 175.47 2jtd s MET 78 N -1.51 0.46 -0.22 -4.83 1.75 0.59 -0.25 119.30 115.29 2jtd s MET 78 Ca 0.17 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.52 2jtd s MET 78 Cb -0.11 -0.49 0.04 0.00 2.84 0.00 0.00 34.83 37.12 2jtd s MET 78 CO 0.08 0.03 -0.15 0.12 -0.65 0.00 0.00 175.02 174.45 2jtd s PHE 79 N 0.29 3.01 -0.16 4.11 5.36 0.92 -2.66 117.98 128.85 2jtd s PHE 79 Ca -0.03 -2.00 -0.06 0.00 -0.96 0.00 0.00 56.93 53.88 2jtd s PHE 79 Cb -0.07 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.67 2jtd s PHE 79 CO -0.00 -0.84 0.04 -1.64 -1.46 0.00 0.00 175.22 171.32 2jtd s MET 80 N 1.20 3.78 0.00 10.12 -1.94 -1.23 -3.48 119.30 127.75 2jtd s MET 80 Ca -0.03 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2jtd s MET 80 Cb -0.17 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2jtd s MET 80 CO -0.08 0.35 0.00 -0.85 -0.01 0.00 0.00 175.02 174.43 2jtd n GLU 81 N 3.27 0.00 0.00 2.03 0.28 -1.26 -3.07 120.64 121.89 2jtd n GLU 81 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2jtd n GLU 81 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2jtd n GLU 81 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2jtd n LYS 82 N 0.00 0.00 0.00 3.44 0.00 -1.26 -4.60 118.16 115.74 2jtd n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jtd n LYS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2jtd n LYS 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jtd n LEU 83 N 0.00 0.00 -3.77 -5.58 7.94 -1.26 -4.97 117.00 109.35 2jtd n LEU 83 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 2jtd n LEU 83 Cb 0.00 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 2jtd n LEU 83 CO 0.00 -0.35 0.00 -1.10 -1.11 0.00 0.00 177.39 174.83 2jtd s GLN 84 N -0.70 0.82 0.54 1.96 -1.52 -1.26 -5.01 119.66 114.49 2jtd s GLN 84 Ca 0.00 -0.62 0.22 0.00 -1.95 0.00 0.00 55.36 53.01 2jtd s GLN 84 Cb 0.00 0.35 1.46 0.00 -0.22 0.00 0.00 33.01 34.60 2jtd s GLN 84 CO 0.00 -0.27 2.16 -0.44 -0.25 0.00 0.00 175.29 176.49 2jtd h ASP 85 N 3.09 0.00 0.96 5.90 5.19 -1.97 0.52 116.42 130.12 2jtd h ASP 85 Ca -0.32 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.94 2jtd h ASP 85 Cb 1.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 2jtd h ASP 85 CO 0.48 0.04 -0.70 1.05 -3.12 0.00 0.00 179.24 176.99 2jtd h GLU 86 N 0.00 0.00 0.11 3.56 4.11 -1.98 -3.36 114.58 117.03 2jtd h GLU 86 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2jtd h GLU 86 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jtd h GLU 86 CO 0.01 0.70 -1.84 0.22 0.07 0.00 0.00 179.01 178.17 2jtd h ASP 87 N 0.00 0.38 -2.50 3.06 3.58 -1.53 -3.46 116.42 115.96 2jtd h ASP 87 Ca -0.01 -0.89 -0.55 0.00 0.42 0.00 0.00 57.03 56.01 2jtd h ASP 87 Cb 1.37 -0.12 0.06 0.00 1.72 0.00 0.00 39.33 42.35 2jtd h ASP 87 CO 0.09 1.79 0.95 -0.62 -2.88 0.00 0.00 179.24 178.57 2jtd n GLU 88 N -3.65 2.55 0.00 0.28 4.71 0.02 -4.95 120.64 119.60 2jtd n GLU 88 Ca -0.31 0.92 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 2jtd n GLU 88 Cb 0.99 -2.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 2jtd n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jtd n GLY 89 N 3.81 5.33 3.54 0.62 0.00 -1.07 -4.52 105.19 112.90 2jtd n GLY 89 Ca 0.17 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2jtd n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtd s THR 90 N 0.51 4.60 -0.26 2.61 2.01 -1.26 -1.96 115.64 121.88 2jtd s THR 90 Ca 0.00 0.48 -0.13 0.00 0.31 0.00 0.00 61.69 62.35 2jtd s THR 90 Cb 0.00 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2jtd s THR 90 CO 0.00 -0.77 0.29 -0.31 -0.69 0.00 0.00 174.62 173.15 2jtd s TYR 91 N 3.42 3.27 -0.28 4.92 1.51 -0.40 -1.70 117.35 128.09 2jtd s TYR 91 Ca 0.31 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.71 2jtd s TYR 91 Cb -0.12 -2.46 0.08 0.00 -0.11 0.00 0.00 41.96 39.35 2jtd s TYR 91 CO 0.23 -0.13 0.02 0.99 -1.11 0.00 0.00 175.55 175.55 2jtd s THR 92 N 1.70 1.45 -0.31 -0.71 2.01 0.18 0.31 115.64 120.26 2jtd s THR 92 Ca 0.12 -1.47 -0.12 0.00 0.31 0.00 0.00 61.69 60.53 2jtd s THR 92 Cb -0.15 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2jtd s THR 92 CO 0.09 -0.37 0.24 -0.36 -0.69 0.00 0.00 174.62 173.53 2jtd s PHE 93 N 1.38 3.22 -0.17 4.92 0.40 -0.05 -2.31 117.98 125.37 2jtd s PHE 93 Ca 0.02 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2jtd s PHE 93 Cb -0.18 -2.47 0.04 0.00 0.51 0.00 0.00 43.02 40.92 2jtd s PHE 93 CO -0.12 -0.28 -0.10 1.14 0.70 0.00 0.00 175.22 176.56 2jtd s GLN 94 N 1.80 1.93 -0.44 0.44 -2.07 -1.15 0.15 119.66 120.32 2jtd s GLN 94 Ca 0.08 -0.66 -0.22 0.00 -1.82 0.00 0.00 55.36 52.74 2jtd s GLN 94 Cb -0.17 -2.19 0.02 0.00 -1.09 0.00 0.00 33.01 29.59 2jtd s GLN 94 CO 0.11 -0.37 0.72 0.42 -1.32 0.00 0.00 175.29 174.85 2jtd s ILE 95 N 1.49 4.73 -0.63 3.63 1.01 0.59 -1.35 121.20 130.67 2jtd s ILE 95 Ca 0.01 0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 2jtd s ILE 95 Cb -0.15 -4.26 0.10 0.00 0.01 0.00 0.00 42.46 38.16 2jtd s ILE 95 CO -0.09 -0.64 0.80 -1.58 0.00 0.00 0.00 174.94 173.43 2jtd s GLN 96 N 3.07 3.10 -0.24 2.79 0.74 -0.19 -0.27 119.66 128.67 2jtd s GLN 96 Ca 0.27 -1.25 -0.02 0.00 0.05 0.00 0.00 55.36 54.41 2jtd s GLN 96 Cb -0.13 -4.30 0.07 0.00 1.10 0.00 0.00 33.01 29.75 2jtd s GLN 96 CO 0.21 -1.62 0.04 0.34 -0.55 0.00 0.00 175.29 173.71 2jtd s ASP 97 N 3.61 3.39 1.67 6.67 2.15 -0.97 -3.08 116.67 130.10 2jtd s ASP 97 Ca 0.15 -1.12 0.00 0.00 0.43 0.00 0.00 52.55 52.01 2jtd s ASP 97 Cb -0.21 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 2jtd s ASP 97 CO 0.06 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2jtd n GLY 98 N 4.95 1.82 0.25 2.66 0.00 -1.26 -1.71 105.19 111.90 2jtd n GLY 98 Ca -0.07 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.12 2jtd n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtd n LYS 99 N 2.33 2.84 -5.09 1.61 4.76 -1.26 -5.00 118.16 118.35 2jtd n LYS 99 Ca 0.00 -1.81 -0.28 0.00 -2.87 0.00 0.00 58.31 53.35 2jtd n LYS 99 Cb 0.00 -1.16 -0.16 0.00 -1.84 0.00 0.00 35.03 31.88 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jtd s ALA 100 N -1.20 1.84 -0.32 7.82 0.00 -0.69 -5.11 121.76 124.10 2jtd s ALA 100 Ca 0.12 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 2jtd s ALA 100 Cb 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2jtd s ALA 100 CO 0.06 0.44 0.11 0.95 0.00 0.00 0.00 175.76 177.31 2jtd s THR 101 N -0.46 4.06 -1.33 0.00 -4.23 -1.26 -2.30 115.64 110.12 2jtd s THR 101 Ca 0.07 -0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 2jtd s THR 101 Cb -0.09 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.65 2jtd s THR 101 CO -0.00 -0.02 1.84 0.61 -0.54 0.00 0.00 174.62 176.50 2jtd n GLY 102 N 4.88 2.92 3.69 3.99 0.00 0.63 -4.85 105.19 116.45 2jtd n GLY 102 Ca -0.14 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2jtd n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jtd s HIS 103 N 4.15 3.32 -0.10 1.61 -3.43 -1.26 -0.30 115.29 119.29 2jtd s HIS 103 Ca 0.53 0.19 -0.02 0.00 -0.80 0.00 0.00 55.06 54.95 2jtd s HIS 103 Cb 0.06 -2.06 0.04 0.00 -1.43 0.00 0.00 32.58 29.19 2jtd s HIS 103 CO 0.05 0.27 0.04 0.45 -2.00 0.00 0.00 174.74 173.55 2jtd s SER 104 N 0.13 1.76 -0.31 7.38 0.15 0.12 -4.99 113.70 117.94 2jtd s SER 104 Ca 0.06 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 2jtd s SER 104 Cb -0.12 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 2jtd s SER 104 CO 0.00 -0.26 0.29 -0.89 1.20 0.00 0.00 173.24 173.59 2jtd s THR 105 N 2.05 5.23 -0.32 6.45 2.01 -1.26 -0.87 115.64 128.93 2jtd s THR 105 Ca 0.04 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2jtd s THR 105 Cb -0.14 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.77 2jtd s THR 105 CO -0.06 0.06 0.07 -0.22 -0.69 0.00 0.00 174.62 173.79 2jtd s LEU 106 N 1.90 3.09 -0.34 4.42 1.98 0.15 -5.01 118.68 124.86 2jtd s LEU 106 Ca 0.10 -1.78 -0.13 0.00 -2.89 0.00 0.00 54.13 49.43 2jtd s LEU 106 Cb -0.16 -1.13 -0.01 0.00 0.66 0.00 0.00 46.19 45.54 2jtd s LEU 106 CO 0.11 -0.39 0.24 0.54 -1.89 0.00 0.00 176.35 174.96 2jtd s VAL 107 N 1.37 5.25 -0.32 1.68 0.11 -1.26 -1.28 120.40 125.95 2jtd s VAL 107 Ca 0.09 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2jtd s VAL 107 Cb -0.18 -3.71 0.09 0.00 -1.53 0.00 0.00 36.38 31.05 2jtd s VAL 107 CO -0.18 -0.03 0.02 -0.76 -3.33 0.00 0.00 175.10 170.82 2jtd s LEU 108 N 1.71 4.41 -0.09 2.54 1.43 -0.83 -4.48 118.68 123.37 2jtd s LEU 108 Ca 0.06 -1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 51.25 2jtd s LEU 108 Cb -0.17 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.45 2jtd s LEU 108 CO 0.10 -0.34 0.20 -0.63 0.23 0.00 0.00 176.35 175.91 2jtd s ILE 109 N 1.01 -0.15 0.00 -0.59 1.01 -1.26 -2.60 121.20 118.62 2jtd s ILE 109 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2jtd s ILE 109 Cb -0.20 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2jtd s ILE 109 CO -0.06 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2jtd n GLY 110 N 4.64 2.46 0.19 6.18 0.00 -1.26 0.00 105.19 117.42 2jtd n GLY 110 Ca -0.18 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2jtd n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jtd h ASP 111 N 0.00 0.00 -0.60 1.61 3.58 -1.99 -3.29 116.42 115.73 2jtd h ASP 111 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2jtd h ASP 111 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2jtd h ASP 111 CO 0.00 0.30 0.38 0.58 -2.88 0.00 0.00 179.24 177.63 2jtd h VAL 112 N 0.00 1.11 0.00 2.25 2.07 -0.81 -2.64 116.25 118.23 2jtd h VAL 112 Ca -0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2jtd h VAL 112 Cb 0.98 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2jtd h VAL 112 CO 0.04 0.14 -0.39 0.10 0.02 0.00 0.00 177.57 177.48 2jtd h TYR 113 N 0.77 0.00 0.00 1.57 -0.00 -1.60 -2.70 116.97 115.01 2jtd h TYR 113 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.89 2jtd h TYR 113 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.69 2jtd h TYR 113 CO -0.04 0.39 -0.36 1.57 -0.00 0.00 0.00 178.16 179.72 2jtd h LYS 114 N 0.00 0.00 0.42 0.10 5.09 -1.63 -0.52 116.57 120.03 2jtd h LYS 114 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 2jtd h LYS 114 Cb 0.88 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.21 2jtd h LYS 114 CO 0.05 0.36 -0.20 -0.22 -2.09 0.00 0.00 179.45 177.35 2jtd h LYS 115 N 0.00 -0.54 -0.12 0.07 3.64 -1.44 -1.98 116.57 116.20 2jtd h LYS 115 Ca -0.00 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2jtd h LYS 115 Cb 0.64 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2jtd h LYS 115 CO 0.05 -0.25 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.52 2jtd h LEU 116 N -0.80 0.27 -0.46 5.20 -0.00 -1.55 -2.80 115.31 115.16 2jtd h LEU 116 Ca -0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 2jtd h LEU 116 Cb 0.54 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2jtd h LEU 116 CO 0.09 0.64 0.24 1.56 -0.00 0.00 0.00 178.44 180.97 2jtd h GLN 117 N 0.22 0.66 0.00 1.13 7.50 -1.03 -2.71 115.11 120.87 2jtd h GLN 117 Ca 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.05 2jtd h GLN 117 Cb 0.79 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 28.19 2jtd h GLN 117 CO 0.06 0.54 -0.14 0.87 -1.50 0.00 0.00 178.83 178.66 2jtd h LYS 118 N 0.61 0.00 0.00 1.46 1.79 -1.22 0.80 116.57 120.00 2jtd h LYS 118 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2jtd h LYS 118 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2jtd h LYS 118 CO -0.02 0.14 0.00 0.93 -1.08 0.00 0.00 179.45 179.42 2jtd h GLU 119 N 0.00 0.00 0.00 3.15 5.08 -1.23 -3.13 114.58 118.45 2jtd h GLU 119 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2jtd h GLU 119 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2jtd h GLU 119 CO 0.02 0.00 -1.48 0.00 -1.00 0.00 0.00 179.01 176.55 2jtd n ALA 120 N -2.06 0.86 -3.69 3.43 0.00 -0.99 -4.80 120.51 113.25 2jtd n ALA 120 Ca 0.03 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 2jtd n ALA 120 Cb 0.44 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jtd s GLU 121 N -2.44 2.29 0.00 0.00 0.41 0.24 -5.06 118.70 114.14 2jtd s GLU 121 Ca -0.29 -1.99 0.08 0.00 -0.41 0.00 0.00 54.97 52.36 2jtd s GLU 121 Cb 0.08 -3.73 0.06 0.00 -1.78 0.00 0.00 34.13 28.76 2jtd s GLU 121 CO 0.49 -1.13 0.76 1.97 -0.49 0.00 0.00 175.26 176.85