#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtd s GLU 2 N 0.00 2.03 0.46 3.49 2.12 -1.26 -5.10 118.70 120.44 2jtd s GLU 2 Ca 0.00 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.80 2jtd s GLU 2 Cb 0.00 -3.10 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 2jtd s GLU 2 CO 0.00 -0.73 0.68 -1.83 -0.54 0.00 0.00 175.26 172.84 2jtd s GLU 3 N 1.07 3.02 0.50 4.30 4.04 -1.26 -4.99 118.70 125.38 2jtd s GLU 3 Ca -0.01 -0.51 0.27 0.00 0.04 0.00 0.00 54.97 54.76 2jtd s GLU 3 Cb -0.20 -2.55 1.31 0.00 0.02 0.00 0.00 34.13 32.72 2jtd s GLU 3 CO -0.05 -0.32 2.01 1.98 -1.84 0.00 0.00 175.26 177.04 2jtd h MET 4 N 0.36 0.00 0.00 -4.83 1.85 -2.01 -2.13 114.93 108.17 2jtd h MET 4 Ca -0.46 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 58.57 2jtd h MET 4 Cb 1.26 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 2jtd h MET 4 CO 0.57 0.15 -0.29 -0.22 -0.40 0.00 0.00 176.91 176.72 2jtd h LYS 5 N 0.00 0.00 -0.86 0.39 3.64 -1.98 -0.07 116.57 117.69 2jtd h LYS 5 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2jtd h LYS 5 Cb 0.45 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2jtd h LYS 5 CO 0.02 0.29 0.56 -0.09 -2.27 0.00 0.00 179.45 177.96 2jtd h ARG 6 N 0.00 0.95 0.00 1.90 2.43 -1.78 -1.38 114.38 116.51 2jtd h ARG 6 Ca -0.00 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2jtd h ARG 6 Cb 0.57 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2jtd h ARG 6 CO 0.04 0.63 -0.59 -0.07 -1.51 0.00 0.00 179.97 178.47 2jtd h LEU 7 N 0.98 0.00 -1.15 3.80 4.07 -1.15 -0.64 115.31 121.23 2jtd h LEU 7 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 2jtd h LEU 7 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2jtd h LEU 7 CO -0.13 0.59 0.00 -0.07 -1.08 0.00 0.00 178.44 177.75 2jtd h LEU 8 N 0.00 0.00 0.12 1.67 4.07 -0.37 -3.02 115.31 117.78 2jtd h LEU 8 Ca -0.01 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.61 2jtd h LEU 8 Cb 1.34 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 2jtd h LEU 8 CO 0.08 0.00 -1.88 0.00 -1.08 0.00 0.00 178.44 175.55 2jtd h ALA 9 N 2.00 0.39 -1.67 1.53 0.00 -1.05 -3.47 119.26 117.00 2jtd h ALA 9 Ca 0.00 -1.35 -0.67 0.00 0.00 0.00 0.00 54.91 52.89 2jtd h ALA 9 Cb 0.61 0.69 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jtd h ALA 9 CO 0.00 1.21 1.10 -0.11 0.00 0.00 0.00 179.25 181.45 2jtd n LEU 10 N -3.61 2.81 0.00 0.00 -0.00 -0.27 -4.78 117.00 111.15 2jtd n LEU 10 Ca -0.31 0.89 -0.18 0.00 -0.00 0.00 0.00 56.01 56.41 2jtd n LEU 10 Cb 1.00 -1.27 -0.03 0.00 -0.00 0.00 0.00 43.42 43.13 2jtd n LEU 10 CO 0.41 -0.33 -0.09 -0.24 -0.00 0.00 0.00 177.39 177.14 2jtd n SER 11 N 6.91 2.60 -4.69 1.96 2.88 -1.26 -4.93 113.62 117.08 2jtd n SER 11 Ca 0.28 -2.24 -0.42 0.00 -1.33 0.00 0.00 58.87 55.15 2jtd n SER 11 Cb 0.22 0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 2jtd n SER 11 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jtd s GLN 12 N -3.14 4.38 -0.25 -1.46 -0.21 -1.26 -4.93 119.66 112.79 2jtd s GLN 12 Ca 0.05 1.60 0.01 0.00 0.02 0.00 0.00 55.36 57.04 2jtd s GLN 12 Cb -0.00 -3.54 0.30 0.00 1.00 0.00 0.00 33.01 30.77 2jtd s GLN 12 CO 0.03 -0.40 1.60 -0.85 -2.12 0.00 0.00 175.29 173.55 2jtd n GLU 13 N 5.08 1.67 -3.26 2.91 0.00 -1.26 -4.69 120.64 121.09 2jtd n GLU 13 Ca 0.10 -1.52 -0.03 0.00 0.00 0.00 0.00 57.16 55.71 2jtd n GLU 13 Cb 0.47 -1.60 -0.05 0.00 0.00 0.00 0.00 31.44 30.26 2jtd n GLU 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jtd s HIS 14 N -1.70 -1.19 0.00 -1.84 5.04 -1.26 -4.93 115.29 109.41 2jtd s HIS 14 Ca 0.29 1.20 0.00 0.00 -1.54 0.00 0.00 55.06 55.01 2jtd s HIS 14 Cb 0.24 0.26 0.00 0.00 0.04 0.00 0.00 32.58 33.12 2jtd s HIS 14 CO 0.04 -0.81 0.00 1.63 -2.34 0.00 0.00 174.74 173.26 2jtd n LYS 15 N 5.39 1.82 -0.09 2.88 5.02 -1.26 -5.08 118.16 126.84 2jtd n LYS 15 Ca -0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 2jtd n LYS 15 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.45 2jtd n LYS 15 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jtd n PHE 16 N -0.32 0.00 -0.78 2.13 3.01 -1.26 -4.62 117.46 115.62 2jtd n PHE 16 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2jtd n PHE 16 Cb 0.00 -0.64 -0.13 0.00 -0.01 0.00 0.00 39.48 38.69 2jtd n PHE 16 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2jtd n PRO 17 N -3.61 1.57 -1.97 -1.08 -0.02 -1.26 -4.90 135.00 123.73 2jtd n PRO 17 Ca -0.34 -0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 60.07 2jtd n PRO 17 Cb 0.77 -1.89 0.09 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.41 2.05 0.42 3.45 2.01 -1.26 -5.08 115.64 118.64 2jtd s THR 18 Ca 0.52 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.51 2jtd s THR 18 Cb 0.25 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.77 2jtd s THR 18 CO 0.00 0.00 0.59 0.68 -0.69 0.00 0.00 174.62 175.20 2jtd s VAL 19 N -3.53 3.66 0.00 3.82 -7.23 -1.26 -4.96 120.40 110.89 2jtd s VAL 19 Ca 0.63 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2jtd s VAL 19 Cb -0.10 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2jtd s VAL 19 CO 0.48 -0.16 0.68 -2.65 -0.31 0.00 0.00 175.10 173.14 2jtd n PRO 20 N -1.92 0.62 -2.34 4.82 -0.02 -1.26 -4.68 135.00 130.22 2jtd n PRO 20 Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.47 2jtd n PRO 20 Cb 0.58 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.86 2jtd n PRO 20 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2jtd n THR 21 N 0.79 0.00 -1.37 3.45 -1.04 -1.26 -5.04 114.28 109.81 2jtd n THR 21 Ca 0.00 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 2jtd n THR 21 Cb 0.31 0.25 0.18 0.00 -1.82 0.00 0.00 70.33 69.25 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 -0.13 2.07 -2.82 -2.82 4.76 -1.26 -4.72 118.16 113.25 2jtd n LYS 22 Ca 0.01 -3.14 -0.42 0.00 -2.87 0.00 0.00 58.31 51.89 2jtd n LYS 22 Cb 0.13 -2.00 0.01 0.00 -1.84 0.00 0.00 35.03 31.33 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtd n SER 23 N -1.12 6.73 -4.58 4.39 2.88 -1.25 -3.40 113.62 117.28 2jtd n SER 23 Ca 0.46 -3.49 -0.42 0.00 -1.33 0.00 0.00 58.87 54.10 2jtd n SER 23 Cb 1.31 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2jtd n SER 23 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jtd s GLU 24 N -3.12 3.28 -0.20 -1.46 2.56 -1.16 -4.80 118.70 113.79 2jtd s GLU 24 Ca 0.35 0.52 -0.06 0.00 0.00 0.00 0.00 54.97 55.78 2jtd s GLU 24 Cb 0.10 -4.14 -0.03 0.00 2.00 0.00 0.00 34.13 32.06 2jtd s GLU 24 CO 0.02 -1.96 0.02 -1.17 -0.56 0.00 0.00 175.26 171.61 2jtd s LEU 25 N 6.24 3.44 0.10 2.70 1.98 -1.26 -0.96 118.68 130.92 2jtd s LEU 25 Ca 0.55 -0.11 -0.13 0.00 -2.89 0.00 0.00 54.13 51.55 2jtd s LEU 25 Cb -0.11 -1.87 0.02 0.00 0.66 0.00 0.00 46.19 44.88 2jtd s LEU 25 CO 0.25 0.09 0.30 0.00 -1.89 0.00 0.00 176.35 175.11 2jtd s ALA 26 N 0.83 -0.60 -0.09 5.97 0.00 -0.95 -5.04 121.76 121.87 2jtd s ALA 26 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 2jtd s ALA 26 Cb -0.14 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.61 2jtd s ALA 26 CO 0.02 -0.57 0.15 0.54 0.00 0.00 0.00 175.76 175.90 2jtd s VAL 27 N -3.78 -0.24 -0.18 0.00 0.11 -1.26 -2.78 120.40 112.27 2jtd s VAL 27 Ca 0.03 0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2jtd s VAL 27 Cb 0.03 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2jtd s VAL 27 CO -0.11 0.10 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.12 2jtd s GLU 28 N 2.28 3.58 -0.21 1.54 0.41 0.11 -4.99 118.70 121.41 2jtd s GLU 28 Ca 0.04 -0.55 -0.06 0.00 -0.41 0.00 0.00 54.97 53.99 2jtd s GLU 28 Cb -0.13 -2.98 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 2jtd s GLU 28 CO -0.06 0.07 0.02 0.42 -0.49 0.00 0.00 175.26 175.22 2jtd s ILE 29 N 0.83 4.10 -0.19 -1.63 1.01 -1.26 -0.18 121.20 123.87 2jtd s ILE 29 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2jtd s ILE 29 Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 2jtd s ILE 29 CO 0.02 0.40 0.19 -0.76 0.00 0.00 0.00 174.94 174.79 2jtd s LEU 30 N 1.16 4.22 0.00 2.97 2.01 -0.79 -4.33 118.68 123.92 2jtd s LEU 30 Ca 0.03 0.32 0.09 0.00 0.01 0.00 0.00 54.13 54.59 2jtd s LEU 30 Cb -0.14 -2.19 0.46 0.00 0.01 0.00 0.00 46.19 44.33 2jtd s LEU 30 CO 0.02 0.15 1.16 -1.84 1.01 0.00 0.00 176.35 176.85 2jtd n GLU 31 N 3.55 0.14 -0.03 1.70 0.28 -1.26 -1.58 120.64 123.44 2jtd n GLU 31 Ca -0.15 0.19 0.11 0.00 -0.16 0.00 0.00 57.16 57.15 2jtd n GLU 31 Cb 0.52 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.42 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 -1.27 1.30 -0.68 3.44 4.76 -1.26 -4.84 118.16 119.61 2jtd n LYS 32 Ca 0.04 -0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 2jtd n LYS 32 Cb 0.07 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jtd n GLY 33 N 0.96 0.98 3.08 0.72 0.00 -0.61 -5.06 105.19 105.26 2jtd n GLY 33 Ca 0.16 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2jtd n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jtd s GLN 34 N -1.62 2.33 -0.21 1.61 2.00 -1.08 -4.76 119.66 117.93 2jtd s GLN 34 Ca 0.00 -1.29 -0.15 0.00 -2.00 0.00 0.00 55.36 51.92 2jtd s GLN 34 Cb 0.00 -2.88 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 2jtd s GLN 34 CO 0.00 -0.54 0.37 0.08 -0.50 0.00 0.00 175.29 174.70 2jtd s VAL 35 N 1.13 5.22 -0.41 1.34 1.01 -1.14 -1.88 120.40 125.67 2jtd s VAL 35 Ca -0.07 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2jtd s VAL 35 Cb -0.19 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2jtd s VAL 35 CO -0.05 0.26 0.39 -0.60 0.00 0.00 0.00 175.10 175.10 2jtd s ARG 36 N 1.29 3.10 -0.08 2.72 6.06 0.74 -2.68 118.95 130.10 2jtd s ARG 36 Ca 0.17 -0.80 0.04 0.00 -2.50 0.00 0.00 55.73 52.64 2jtd s ARG 36 Cb -0.15 -3.96 -0.01 0.00 0.06 0.00 0.00 34.95 30.90 2jtd s ARG 36 CO 0.07 -0.79 -0.22 0.12 -2.50 0.00 0.00 175.30 171.99 2jtd s PHE 37 N 1.99 2.56 -0.08 5.12 2.19 -0.49 0.09 117.98 129.35 2jtd s PHE 37 Ca 0.10 -0.77 -0.11 0.00 0.33 0.00 0.00 56.93 56.48 2jtd s PHE 37 Cb -0.18 -1.68 0.03 0.00 -1.31 0.00 0.00 43.02 39.88 2jtd s PHE 37 CO 0.12 -0.25 0.29 1.67 1.83 0.00 0.00 175.22 178.88 2jtd s TRP 38 N 0.03 -0.27 -0.14 10.12 1.48 -1.12 -0.32 118.94 128.73 2jtd s TRP 38 Ca -0.08 0.62 -0.09 0.00 -1.06 0.00 0.00 56.10 55.49 2jtd s TRP 38 Cb -0.15 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.30 2jtd s TRP 38 CO 0.05 -0.21 0.34 0.00 -4.06 0.00 0.00 176.95 173.07 2jtd s MET 39 N -0.25 0.33 -0.06 3.25 0.23 -0.84 -2.24 119.30 119.73 2jtd s MET 39 Ca -0.04 0.62 -0.04 0.00 -1.03 0.00 0.00 55.69 55.21 2jtd s MET 39 Cb -0.03 0.00 -0.04 0.00 -1.53 0.00 0.00 34.83 33.23 2jtd s MET 39 CO 0.01 -0.13 0.12 -1.14 -2.03 0.00 0.00 175.02 171.85 2jtd s GLN 40 N 1.03 3.28 -0.07 3.16 0.74 -0.13 -1.85 119.66 125.82 2jtd s GLN 40 Ca -0.07 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.04 2jtd s GLN 40 Cb -0.07 -3.03 0.02 0.00 1.10 0.00 0.00 33.01 31.03 2jtd s GLN 40 CO -0.08 0.71 -0.05 0.00 -0.55 0.00 0.00 175.29 175.32 2jtd s ALA 41 N -1.13 0.87 -0.45 1.58 0.00 0.15 -3.01 121.76 119.77 2jtd s ALA 41 Ca 0.20 -0.21 0.26 0.00 0.00 0.00 0.00 51.96 52.22 2jtd s ALA 41 Cb -0.12 -0.62 0.89 0.00 0.00 0.00 0.00 23.12 23.27 2jtd s ALA 41 CO 0.10 -0.20 1.77 1.05 0.00 0.00 0.00 175.76 178.48 2jtd h GLU 42 N 7.66 0.00 -5.41 0.00 4.11 -1.81 -3.35 114.58 115.78 2jtd h GLU 42 Ca -0.30 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.71 2jtd h GLU 42 Cb 1.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 2jtd h GLU 42 CO 0.40 0.00 -0.74 0.15 0.07 0.00 0.00 179.01 178.90 2jtd s LYS 43 N -3.29 1.19 -0.17 1.06 -0.14 -1.26 -4.92 119.74 112.20 2jtd s LYS 43 Ca 0.06 -1.47 -0.08 0.00 -1.36 0.00 0.00 55.97 53.12 2jtd s LYS 43 Cb 0.09 -0.94 -0.07 0.00 -1.68 0.00 0.00 37.83 35.23 2jtd s LYS 43 CO 0.53 0.16 -0.22 1.28 -0.76 0.00 0.00 175.35 176.34 2jtd n LEU 44 N -0.11 1.19 -4.52 3.17 7.99 -1.26 -4.86 117.00 118.59 2jtd n LEU 44 Ca -0.10 0.21 -0.38 0.00 -0.01 0.00 0.00 56.01 55.73 2jtd n LEU 44 Cb 0.60 -0.50 -0.12 0.00 -0.11 0.00 0.00 43.42 43.29 2jtd n LEU 44 CO 0.32 0.35 -0.21 -0.44 -1.51 0.00 0.00 177.39 175.91 2jtd s SER 45 N -6.52 5.69 0.00 -1.43 0.01 -1.26 -5.03 113.70 105.16 2jtd s SER 45 Ca -0.24 -0.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 2jtd s SER 45 Cb 0.09 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.33 2jtd s SER 45 CO 0.30 -0.07 0.74 -1.54 0.41 0.00 0.00 173.24 173.07 2jtd n SER 46 N 5.01 -0.76 -0.09 2.44 3.41 -1.26 -4.99 113.62 117.39 2jtd n SER 46 Ca -0.15 -1.20 0.16 0.00 -0.26 0.00 0.00 58.87 57.42 2jtd n SER 46 Cb 0.51 1.18 0.85 0.00 -0.26 0.00 0.00 64.21 66.50 2jtd n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jtd n ASN 47 N -0.74 0.27 -4.57 4.04 4.13 -1.26 -4.75 115.26 112.38 2jtd n ASN 47 Ca 0.02 -1.02 -0.40 0.00 1.68 0.00 0.00 54.58 54.86 2jtd n ASN 47 Cb 0.34 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.54 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtd s ALA 48 N -2.05 2.45 -0.12 5.41 0.00 -1.26 -4.91 121.76 121.28 2jtd s ALA 48 Ca 0.45 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 2jtd s ALA 48 Cb 0.22 -4.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 2jtd s ALA 48 CO 0.37 -3.40 0.05 -1.59 0.00 0.00 0.00 175.76 171.19 2jtd s LYS 49 N 6.46 3.36 -0.27 0.00 -2.85 -1.24 -4.88 119.74 120.31 2jtd s LYS 49 Ca 0.70 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 55.35 2jtd s LYS 49 Cb -0.16 -3.00 0.05 0.00 -2.06 0.00 0.00 37.83 32.67 2jtd s LYS 49 CO 0.26 0.61 -0.06 0.54 0.10 0.00 0.00 175.35 176.79 2jtd s VAL 50 N -0.58 2.57 -0.32 1.79 0.11 -1.26 -0.95 120.40 121.77 2jtd s VAL 50 Ca 0.11 -1.46 -0.21 0.00 -2.93 0.00 0.00 61.98 57.49 2jtd s VAL 50 Cb -0.12 -2.47 -0.00 0.00 -1.53 0.00 0.00 36.38 32.26 2jtd s VAL 50 CO 0.02 -0.02 0.68 -0.44 -3.33 0.00 0.00 175.10 172.01 2jtd s SER 51 N 1.19 6.53 -0.95 3.54 0.01 -0.48 -4.93 113.70 118.61 2jtd s SER 51 Ca -0.06 0.43 -0.23 0.00 1.31 0.00 0.00 55.95 57.39 2jtd s SER 51 Cb -0.19 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.74 2jtd s SER 51 CO -0.04 -0.55 1.36 -0.31 0.41 0.00 0.00 173.24 174.12 2jtd s TYR 52 N 2.75 2.56 -0.20 2.43 2.02 -1.26 -2.78 117.35 122.86 2jtd s TYR 52 Ca 0.27 -0.75 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 2jtd s TYR 52 Cb -0.14 -4.63 -0.03 0.00 -0.40 0.00 0.00 41.96 36.76 2jtd s TYR 52 CO 0.13 -1.90 0.03 0.42 -1.57 0.00 0.00 175.55 172.65 2jtd s ILE 53 N 4.82 4.24 -0.21 2.71 -1.09 -0.40 -1.91 121.20 129.37 2jtd s ILE 53 Ca 0.42 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2jtd s ILE 53 Cb -0.03 -2.93 0.05 0.00 -1.58 0.00 0.00 42.46 37.98 2jtd s ILE 53 CO -0.05 0.42 -0.06 0.12 -1.23 0.00 0.00 174.94 174.14 2jtd s PHE 54 N 0.94 2.17 -1.34 3.97 5.36 0.12 0.00 117.98 129.21 2jtd s PHE 54 Ca 0.02 -1.52 -0.05 0.00 -0.96 0.00 0.00 56.93 54.42 2jtd s PHE 54 Cb -0.14 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.05 2jtd s PHE 54 CO 0.02 -0.72 0.96 -1.71 -1.46 0.00 0.00 175.22 172.31 2jtd n ASN 55 N 4.74 -3.45 0.00 6.13 4.05 0.64 -0.88 115.26 126.48 2jtd n ASN 55 Ca -0.12 -0.69 0.00 0.00 0.45 0.00 0.00 54.58 54.22 2jtd n ASN 55 Cb 0.46 -4.55 0.00 0.00 1.23 0.00 0.00 39.78 36.92 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 -4.51 0.00 -3.20 1.20 1.02 -1.26 -4.98 120.64 108.91 2jtd n GLU 56 Ca -0.15 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.60 2jtd n GLU 56 Cb 0.61 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.00 4.32 -0.09 3.49 -0.14 -0.06 -4.99 119.74 122.27 2jtd s LYS 57 Ca 0.00 0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 55.04 2jtd s LYS 57 Cb 0.00 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 2jtd s LYS 57 CO 0.00 0.35 1.17 -1.21 -0.76 0.00 0.00 175.35 174.89 2jtd s GLU 58 N -0.11 4.34 0.50 1.68 2.02 -1.26 0.14 118.70 126.01 2jtd s GLU 58 Ca 0.31 1.60 0.06 0.00 0.02 0.00 0.00 54.97 56.97 2jtd s GLU 58 Cb -0.18 -3.59 0.02 0.00 0.10 0.00 0.00 34.13 30.47 2jtd s GLU 58 CO 0.17 -0.48 0.40 0.96 0.02 0.00 0.00 175.26 176.33 2jtd s ILE 59 N 2.45 1.99 0.11 -1.63 -4.36 -0.80 -4.96 121.20 114.00 2jtd s ILE 59 Ca 0.54 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 2jtd s ILE 59 Cb -0.22 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 2jtd s ILE 59 CO 0.19 0.00 -0.04 -0.36 0.24 0.00 0.00 174.94 174.97 2jtd s PHE 60 N -2.68 0.94 0.22 1.37 0.08 -1.26 -4.93 117.98 111.73 2jtd s PHE 60 Ca 0.40 -0.96 -0.30 0.00 0.12 0.00 0.00 56.93 56.19 2jtd s PHE 60 Cb -0.02 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.80 2jtd s PHE 60 CO 0.24 -0.19 1.17 -2.00 -0.10 0.00 0.00 175.22 174.34 2jtd s GLU 61 N -3.86 4.54 0.00 0.44 -6.30 -1.26 -4.82 118.70 107.43 2jtd s GLU 61 Ca 0.15 1.86 0.00 0.00 -2.50 0.00 0.00 54.97 54.48 2jtd s GLU 61 Cb 0.06 -3.22 0.00 0.00 0.00 0.00 0.00 34.13 30.97 2jtd s GLU 61 CO -0.03 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2jtd n GLY 62 N 1.80 -1.34 0.06 -1.50 0.00 -1.21 -5.06 105.19 97.94 2jtd n GLY 62 Ca 0.02 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.69 2jtd n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jtd n PRO 63 N 0.00 0.38 0.04 1.61 -0.04 -1.26 -4.78 135.00 130.94 2jtd n PRO 63 Ca 0.00 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2jtd n PRO 63 Cb 0.00 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 2jtd n PRO 63 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jtd h LYS 64 N -0.81 -0.15 -5.27 0.54 3.11 -1.93 -3.45 116.57 108.61 2jtd h LYS 64 Ca 0.00 0.01 -0.62 0.00 -2.81 0.00 0.00 60.65 57.23 2jtd h LYS 64 Cb 0.49 0.03 -0.18 0.00 -1.00 0.00 0.00 32.23 31.57 2jtd h LYS 64 CO 0.00 0.32 -0.59 0.71 -2.81 0.00 0.00 179.45 177.08 2jtd s TYR 65 N -3.68 3.19 -0.34 1.91 1.51 -1.26 -1.55 117.35 117.13 2jtd s TYR 65 Ca -0.14 -0.04 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 2jtd s TYR 65 Cb 0.01 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 2jtd s TYR 65 CO 0.55 0.08 0.21 0.15 -1.11 0.00 0.00 175.55 175.44 2jtd s LYS 66 N 0.42 3.35 -0.15 -0.62 -0.14 -0.23 -3.30 119.74 119.07 2jtd s LYS 66 Ca 0.01 -0.73 0.01 0.00 -1.36 0.00 0.00 55.97 53.90 2jtd s LYS 66 Cb -0.13 -3.73 0.02 0.00 -1.68 0.00 0.00 37.83 32.31 2jtd s LYS 66 CO 0.01 -0.47 -0.15 -1.64 -0.76 0.00 0.00 175.35 172.33 2jtd s MET 67 N 1.67 2.42 -0.19 1.68 -1.94 -1.26 -0.32 119.30 121.35 2jtd s MET 67 Ca 0.05 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 2jtd s MET 67 Cb -0.18 -2.17 0.04 0.00 2.01 0.00 0.00 34.83 34.53 2jtd s MET 67 CO 0.09 -0.21 -0.12 -1.01 -0.01 0.00 0.00 175.02 173.76 2jtd s HIS 68 N 1.40 2.40 0.43 -0.03 3.76 -0.93 -4.96 115.29 117.35 2jtd s HIS 68 Ca 0.04 -1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 53.39 2jtd s HIS 68 Cb -0.13 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2jtd s HIS 68 CO -0.10 -0.73 0.69 0.96 -0.85 0.00 0.00 174.74 174.70 2jtd s ILE 69 N 1.40 4.92 0.08 0.60 -4.36 -1.26 -2.77 121.20 119.81 2jtd s ILE 69 Ca 0.00 -0.11 0.06 0.00 -0.26 0.00 0.00 60.65 60.34 2jtd s ILE 69 Cb -0.15 -3.84 -0.03 0.00 1.25 0.00 0.00 42.46 39.69 2jtd s ILE 69 CO -0.09 -0.70 -0.15 -0.62 0.24 0.00 0.00 174.94 173.62 2jtd s ASP 70 N -4.09 1.88 0.00 4.36 2.15 -0.94 -4.96 116.67 115.07 2jtd s ASP 70 Ca 0.44 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.76 2jtd s ASP 70 Cb -0.10 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 2jtd s ASP 70 CO 0.41 -0.06 0.76 0.54 -0.17 0.00 0.00 175.17 176.65 2jtd n ARG 71 N 1.12 1.61 -0.08 4.34 1.74 -1.26 -4.26 116.66 119.88 2jtd n ARG 71 Ca -0.20 -1.04 -0.10 0.00 -0.77 0.00 0.00 57.85 55.74 2jtd n ARG 71 Cb 0.54 -0.78 -0.15 0.00 -1.02 0.00 0.00 32.46 31.05 2jtd n ARG 71 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtd n ASN 72 N -0.27 0.38 0.00 0.55 3.02 -1.26 -4.78 115.26 112.90 2jtd n ASN 72 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2jtd n ASN 72 Cb 0.35 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 2jtd n ASN 72 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jtd n THR 73 N -2.87 0.00 0.00 3.41 -2.24 -1.26 -5.07 114.28 106.25 2jtd n THR 73 Ca -0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2jtd n THR 73 Cb 1.12 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2jtd n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtd n GLY 74 N 1.79 0.97 3.35 3.38 0.00 -1.26 -4.59 105.19 108.83 2jtd n GLY 74 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.79 3.80 -0.25 -0.61 -1.09 -1.26 0.30 121.20 120.30 2jtd s ILE 75 Ca 0.00 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2jtd s ILE 75 Cb 0.00 -2.86 0.06 0.00 -1.58 0.00 0.00 42.46 38.08 2jtd s ILE 75 CO 0.00 0.23 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.24 2jtd s ILE 76 N 1.51 1.81 -0.01 2.92 1.01 -0.77 -2.21 121.20 125.45 2jtd s ILE 76 Ca 0.04 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.28 2jtd s ILE 76 Cb -0.16 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2jtd s ILE 76 CO 0.01 -0.09 -0.05 -1.61 0.00 0.00 0.00 174.94 173.19 2jtd s GLU 77 N 1.26 2.63 -0.08 2.79 0.41 -1.12 -1.99 118.70 122.61 2jtd s GLU 77 Ca -0.07 -0.67 0.03 0.00 -0.41 0.00 0.00 54.97 53.85 2jtd s GLU 77 Cb -0.19 -2.55 0.01 0.00 -1.78 0.00 0.00 34.13 29.61 2jtd s GLU 77 CO -0.06 0.62 -0.16 1.41 -0.49 0.00 0.00 175.26 176.58 2jtd s MET 78 N -1.34 2.14 -0.28 1.61 -2.45 0.56 -2.19 119.30 117.36 2jtd s MET 78 Ca 0.17 -0.56 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 2jtd s MET 78 Cb -0.11 -1.70 0.03 0.00 1.25 0.00 0.00 34.83 34.29 2jtd s MET 78 CO 0.07 0.07 0.00 0.12 1.05 0.00 0.00 175.02 176.33 2jtd s PHE 79 N 0.57 3.15 -0.17 4.11 5.36 0.56 -1.40 117.98 130.16 2jtd s PHE 79 Ca -0.16 -1.51 -0.08 0.00 -0.96 0.00 0.00 56.93 54.23 2jtd s PHE 79 Cb -0.16 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2jtd s PHE 79 CO 0.05 -0.72 0.08 -1.64 -1.46 0.00 0.00 175.22 171.54 2jtd s MET 80 N 1.35 3.90 0.00 10.12 -1.94 -1.09 -1.06 119.30 130.57 2jtd s MET 80 Ca -0.01 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 2jtd s MET 80 Cb -0.18 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.43 2jtd s MET 80 CO -0.01 0.37 0.00 -0.85 -0.01 0.00 0.00 175.02 174.51 2jtd n GLU 81 N 3.26 2.02 -3.93 2.03 0.28 -0.59 -2.88 120.64 120.82 2jtd n GLU 81 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.73 2jtd n GLU 81 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 2jtd n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2jtd s LYS 82 N -0.75 0.26 0.00 3.44 0.00 -1.26 -4.72 119.74 116.71 2jtd s LYS 82 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 55.97 55.57 2jtd s LYS 82 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 37.83 37.93 2jtd s LYS 82 CO 0.00 -0.05 0.00 -0.11 0.00 0.00 0.00 175.35 175.19 2jtd n LEU 83 N 1.99 0.26 0.00 2.77 7.94 -1.26 -5.02 117.00 123.67 2jtd n LEU 83 Ca -0.20 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.57 2jtd n LEU 83 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2jtd n LEU 83 CO 0.22 0.03 0.04 0.00 -1.11 0.00 0.00 177.39 176.56 2jtd n GLN 84 N -2.94 1.10 -0.00 1.96 1.13 -1.26 -5.03 117.38 112.34 2jtd n GLN 84 Ca 0.00 -1.60 -0.17 0.00 -1.94 0.00 0.00 57.00 53.29 2jtd n GLN 84 Cb 0.49 0.16 -0.13 0.00 0.11 0.00 0.00 30.24 30.87 2jtd n GLN 84 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2jtd h ASP 85 N 0.30 0.30 0.00 1.08 5.19 -2.00 -3.23 116.42 118.05 2jtd h ASP 85 Ca -0.16 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.33 2jtd h ASP 85 Cb 0.59 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2jtd h ASP 85 CO 0.25 1.19 0.00 -1.84 -3.12 0.00 0.00 179.24 175.72 2jtd n GLU 86 N -4.34 0.80 -0.33 3.56 0.28 -1.26 -4.00 120.64 115.35 2jtd n GLU 86 Ca -0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.90 2jtd n GLU 86 Cb 0.66 -1.20 0.20 0.00 1.43 0.00 0.00 31.44 32.53 2jtd n GLU 86 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jtd h ASP 87 N 0.00 1.00 -3.40 -1.84 1.82 -1.96 -3.41 116.42 108.62 2jtd h ASP 87 Ca 0.00 -0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.09 2jtd h ASP 87 Cb 0.00 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.75 2jtd h ASP 87 CO 0.00 0.66 0.11 -0.70 -1.61 0.00 0.00 179.24 177.70 2jtd s GLU 88 N -5.98 4.44 0.00 0.28 2.56 -1.26 -4.99 118.70 113.75 2jtd s GLU 88 Ca -0.12 0.98 0.00 0.00 0.00 0.00 0.00 54.97 55.83 2jtd s GLU 88 Cb 0.19 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2jtd s GLU 88 CO 0.81 0.40 0.00 0.41 -0.56 0.00 0.00 175.26 176.32 2jtd n GLY 89 N 2.15 3.84 3.46 -1.50 0.00 -0.90 -4.76 105.19 107.48 2jtd n GLY 89 Ca -0.05 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.21 4.73 -0.16 2.61 2.01 -1.26 -0.60 115.64 122.75 2jtd s THR 90 Ca 0.00 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2jtd s THR 90 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2jtd s THR 90 CO 0.00 0.07 0.06 -0.31 -0.69 0.00 0.00 174.62 173.75 2jtd s TYR 91 N 1.64 3.27 -0.24 4.92 2.02 0.18 -0.26 117.35 128.89 2jtd s TYR 91 Ca 0.05 0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2jtd s TYR 91 Cb -0.17 -2.02 0.10 0.00 -0.40 0.00 0.00 41.96 39.47 2jtd s TYR 91 CO 0.07 0.26 0.20 0.99 -1.57 0.00 0.00 175.55 175.50 2jtd s THR 92 N 0.03 -0.25 -0.43 -0.71 2.01 0.10 -0.24 115.64 116.15 2jtd s THR 92 Ca 0.06 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2jtd s THR 92 Cb -0.12 -0.80 0.10 0.00 0.01 0.00 0.00 72.50 71.68 2jtd s THR 92 CO 0.01 -0.40 0.26 -0.36 -0.69 0.00 0.00 174.62 173.44 2jtd s PHE 93 N 2.25 3.42 -0.25 4.92 0.40 0.24 -1.28 117.98 127.69 2jtd s PHE 93 Ca 0.07 -1.88 -0.09 0.00 -0.60 0.00 0.00 56.93 54.44 2jtd s PHE 93 Cb -0.15 -3.17 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 2jtd s PHE 93 CO -0.22 -0.93 0.11 -1.14 0.70 0.00 0.00 175.22 173.74 2jtd s GLN 94 N 1.33 3.81 -0.21 0.44 0.74 -1.12 0.11 119.66 124.76 2jtd s GLN 94 Ca 0.05 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 55.01 2jtd s GLN 94 Cb -0.24 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2jtd s GLN 94 CO -0.01 -0.12 -0.00 0.42 -0.55 0.00 0.00 175.29 175.03 2jtd s ILE 95 N 1.50 3.88 -0.40 -2.34 1.09 0.13 -1.38 121.20 123.68 2jtd s ILE 95 Ca 0.06 -0.33 -0.19 0.00 -1.10 0.00 0.00 60.65 59.09 2jtd s ILE 95 Cb -0.15 -2.76 0.01 0.00 -1.06 0.00 0.00 42.46 38.50 2jtd s ILE 95 CO 0.06 0.42 0.57 -1.58 -0.10 0.00 0.00 174.94 174.30 2jtd s GLN 96 N 1.12 3.38 0.31 2.79 0.74 -0.12 -2.76 119.66 125.12 2jtd s GLN 96 Ca 0.03 -0.34 0.08 0.00 0.05 0.00 0.00 55.36 55.17 2jtd s GLN 96 Cb -0.14 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.03 2jtd s GLN 96 CO 0.01 -0.85 0.17 0.34 -0.55 0.00 0.00 175.29 174.41 2jtd s ASP 97 N 1.88 5.00 0.12 6.67 2.15 -1.15 -3.65 116.67 127.68 2jtd s ASP 97 Ca 0.20 -0.56 -0.14 0.00 0.43 0.00 0.00 52.55 52.48 2jtd s ASP 97 Cb -0.15 -0.96 -0.06 0.00 -0.30 0.00 0.00 42.92 41.45 2jtd s ASP 97 CO 0.16 -0.20 1.47 1.23 -0.17 0.00 0.00 175.17 177.66 2jtd h GLY 98 N 1.52 0.83 0.00 2.66 0.00 -1.97 -3.36 103.07 102.75 2jtd h GLY 98 Ca -0.45 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.09 2jtd h GLY 98 CO 0.61 0.72 0.00 0.28 0.00 0.00 0.00 176.54 178.15 2jtd n LYS 99 N -4.26 -0.30 -4.37 4.80 5.02 -1.26 -5.04 118.16 112.76 2jtd n LYS 99 Ca -0.03 -0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 55.61 2jtd n LYS 99 Cb 0.44 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.50 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jtd s ALA 100 N -0.10 2.00 -0.14 7.82 0.00 -1.26 -5.04 121.76 125.05 2jtd s ALA 100 Ca 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.02 2jtd s ALA 100 Cb 0.00 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.85 2jtd s ALA 100 CO 0.00 -0.31 0.18 0.99 0.00 0.00 0.00 175.76 176.62 2jtd s THR 101 N -3.44 -0.28 -0.06 0.00 2.01 -1.26 -2.91 115.64 109.69 2jtd s THR 101 Ca 0.33 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.53 2jtd s THR 101 Cb 0.07 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2jtd s THR 101 CO 0.12 -0.01 -0.25 -0.83 -0.69 0.00 0.00 174.62 172.96 2jtd s GLY 102 N 2.30 1.31 -0.08 4.40 0.00 -1.11 -5.04 107.32 109.10 2jtd s GLY 102 Ca 0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 2jtd s GLY 102 CO -0.08 -0.60 0.18 -2.38 0.00 0.00 0.00 173.10 170.21 2jtd s HIS 103 N -0.10 -0.22 -0.64 1.90 -3.43 -1.26 0.20 115.29 111.75 2jtd s HIS 103 Ca -0.06 0.56 -0.17 0.00 -0.80 0.00 0.00 55.06 54.60 2jtd s HIS 103 Cb -0.14 -0.01 0.14 0.00 -1.43 0.00 0.00 32.58 31.14 2jtd s HIS 103 CO 0.04 -0.17 0.66 0.45 -2.00 0.00 0.00 174.74 173.73 2jtd s SER 104 N 0.93 6.33 -0.26 7.38 0.15 0.12 -4.91 113.70 123.44 2jtd s SER 104 Ca -0.07 -1.87 -0.07 0.00 0.70 0.00 0.00 55.95 54.64 2jtd s SER 104 Cb -0.09 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2jtd s SER 104 CO -0.05 -0.90 0.07 -0.89 1.20 0.00 0.00 173.24 172.66 2jtd s THR 105 N 1.75 4.19 -0.10 6.45 2.01 -1.26 -0.59 115.64 128.09 2jtd s THR 105 Ca 0.11 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 2jtd s THR 105 Cb -0.23 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2jtd s THR 105 CO 0.01 0.29 0.24 -0.22 -0.69 0.00 0.00 174.62 174.25 2jtd s LEU 106 N 1.59 0.42 -0.19 4.42 2.96 0.67 -5.01 118.68 123.54 2jtd s LEU 106 Ca 0.06 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2jtd s LEU 106 Cb -0.15 0.70 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 2jtd s LEU 106 CO 0.03 -0.17 -0.08 0.54 -1.32 0.00 0.00 176.35 175.35 2jtd s VAL 107 N 1.28 3.17 -0.26 1.68 0.11 -1.26 0.52 120.40 125.64 2jtd s VAL 107 Ca -0.09 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2jtd s VAL 107 Cb -0.11 -2.41 0.07 0.00 -1.53 0.00 0.00 36.38 32.41 2jtd s VAL 107 CO -0.08 0.46 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.38 2jtd s LEU 108 N 1.15 2.77 -0.19 2.54 1.43 0.23 -4.56 118.68 122.05 2jtd s LEU 108 Ca 0.01 -1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 51.66 2jtd s LEU 108 Cb -0.14 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 44.98 2jtd s LEU 108 CO -0.02 -0.28 0.45 0.27 0.23 0.00 0.00 176.35 176.99 2jtd s ILE 109 N 1.38 -0.21 0.00 -0.59 -4.36 -1.26 -2.11 121.20 114.04 2jtd s ILE 109 Ca -0.01 0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 2jtd s ILE 109 Cb -0.19 -0.68 0.00 0.00 1.25 0.00 0.00 42.46 42.85 2jtd s ILE 109 CO -0.09 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.74 2jtd n GLY 110 N 4.60 3.62 0.36 6.27 0.00 -1.26 -1.55 105.19 117.23 2jtd n GLY 110 Ca -0.19 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 1.08 -0.50 1.61 3.58 -2.00 -2.55 116.42 117.63 2jtd h ASP 111 Ca 0.00 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.37 2jtd h ASP 111 Cb 0.00 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 2jtd h ASP 111 CO 0.00 0.86 0.33 0.58 -2.88 0.00 0.00 179.24 178.13 2jtd h VAL 112 N 1.22 1.13 -0.15 2.25 2.07 -1.64 -0.04 116.25 121.08 2jtd h VAL 112 Ca 0.31 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.45 2jtd h VAL 112 Cb 0.01 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jtd h VAL 112 CO -0.05 0.12 -0.54 0.22 0.02 0.00 0.00 177.57 177.34 2jtd h TYR 113 N 0.68 0.54 0.00 1.57 3.20 -1.46 -2.90 116.97 118.60 2jtd h TYR 113 Ca 0.19 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2jtd h TYR 113 Cb -0.07 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2jtd h TYR 113 CO -0.00 0.88 -0.47 1.57 -1.64 0.00 0.00 178.16 178.50 2jtd h LYS 114 N 0.33 0.00 0.13 1.82 5.09 -1.33 -3.31 116.57 119.30 2jtd h LYS 114 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.76 2jtd h LYS 114 Cb 1.06 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.35 2jtd h LYS 114 CO 0.09 0.05 -0.29 -0.22 -2.09 0.00 0.00 179.45 177.00 2jtd h LYS 115 N 0.00 -0.49 -0.14 0.07 3.64 -0.81 -2.65 116.57 116.18 2jtd h LYS 115 Ca -0.01 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2jtd h LYS 115 Cb 1.06 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2jtd h LYS 115 CO 0.01 -0.33 -0.16 -0.07 -2.27 0.00 0.00 179.45 176.63 2jtd h LEU 116 N -0.51 0.22 0.15 5.20 -0.00 -1.66 -2.75 115.31 115.96 2jtd h LEU 116 Ca 0.03 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2jtd h LEU 116 Cb 0.53 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 2jtd h LEU 116 CO -0.16 0.41 -0.25 1.56 -0.00 0.00 0.00 178.44 180.00 2jtd h GLN 117 N 0.22 -0.46 0.00 1.13 1.08 -1.56 -0.59 115.11 114.93 2jtd h GLN 117 Ca 0.04 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2jtd h GLN 117 Cb 0.43 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2jtd h GLN 117 CO 0.03 -0.30 -0.33 0.87 -0.95 0.00 0.00 178.83 178.15 2jtd h LYS 118 N -0.47 0.00 0.00 1.46 1.57 -1.50 0.50 116.57 118.12 2jtd h LYS 118 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2jtd h LYS 118 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2jtd h LYS 118 CO -0.13 0.02 -0.25 0.93 -0.57 0.00 0.00 179.45 179.46 2jtd h GLU 119 N 0.00 0.00 0.00 3.15 5.08 -1.32 -3.29 114.58 118.20 2jtd h GLU 119 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jtd h GLU 119 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2jtd h GLU 119 CO 0.00 0.25 -0.50 0.00 -1.00 0.00 0.00 179.01 177.76 2jtd h ALA 120 N 1.75 0.07 -3.00 3.43 0.00 -0.92 -3.45 119.26 117.13 2jtd h ALA 120 Ca -0.00 -0.57 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 2jtd h ALA 120 Cb 1.07 0.37 -0.26 0.00 0.00 0.00 0.00 17.79 18.97 2jtd h ALA 120 CO 0.03 0.36 -0.68 -1.21 0.00 0.00 0.00 179.25 177.76 2jtd s GLU 121 N -2.11 3.38 0.00 0.00 2.02 0.15 -5.04 118.70 117.10 2jtd s GLU 121 Ca -0.16 -0.64 0.30 0.00 0.02 0.00 0.00 54.97 54.49 2jtd s GLU 121 Cb 0.02 -3.17 1.48 0.00 0.10 0.00 0.00 34.13 32.56 2jtd s GLU 121 CO 0.34 -0.25 1.99 1.19 0.02 0.00 0.00 175.26 178.55