#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 4.16 -0.03 3.49 1.03 -1.26 -5.05 118.70 121.04 2jtd s GLU 2 Ca 0.00 0.67 0.04 0.00 0.03 0.00 0.00 54.97 55.72 2jtd s GLU 2 Cb 0.00 -3.63 -0.01 0.00 -0.80 0.00 0.00 34.13 29.70 2jtd s GLU 2 CO 0.00 -0.39 -0.16 -2.00 -1.33 0.00 0.00 175.26 171.38 2jtd s GLU 3 N 2.40 1.53 0.24 -4.83 -6.30 -1.26 -5.05 118.70 105.43 2jtd s GLU 3 Ca 0.29 -0.57 -0.03 0.00 -2.50 0.00 0.00 54.97 52.16 2jtd s GLU 3 Cb -0.16 -1.39 0.26 0.00 0.00 0.00 0.00 34.13 32.85 2jtd s GLU 3 CO 0.09 0.27 1.69 1.98 0.02 0.00 0.00 175.26 179.31 2jtd h MET 4 N 6.07 0.76 -0.81 4.30 1.85 -2.00 -2.79 114.93 122.31 2jtd h MET 4 Ca -0.34 -0.26 0.08 0.00 -0.61 0.00 0.00 59.70 58.56 2jtd h MET 4 Cb 1.17 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 33.08 2jtd h MET 4 CO 0.48 0.86 0.53 0.87 -0.40 0.00 0.00 176.91 179.25 2jtd h LYS 5 N 0.69 0.82 -0.23 0.39 1.79 -1.99 -1.36 116.57 116.67 2jtd h LYS 5 Ca 0.11 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 2jtd h LYS 5 Cb 0.61 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2jtd h LYS 5 CO 0.04 0.54 -0.37 -0.09 -1.08 0.00 0.00 179.45 178.49 2jtd h ARG 6 N 0.84 0.51 0.00 3.15 2.43 -1.91 0.92 114.38 120.32 2jtd h ARG 6 Ca 0.36 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2jtd h ARG 6 Cb 0.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2jtd h ARG 6 CO -0.13 0.81 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.76 2jtd h LEU 7 N 0.43 0.00 0.18 3.80 4.07 -1.28 0.19 115.31 122.71 2jtd h LEU 7 Ca 0.04 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.68 2jtd h LEU 7 Cb 0.84 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.60 2jtd h LEU 7 CO 0.07 0.30 -1.52 -0.07 -1.08 0.00 0.00 178.44 176.14 2jtd h LEU 8 N 0.00 0.60 -0.74 1.67 3.38 -0.90 -3.33 115.31 116.00 2jtd h LEU 8 Ca -0.00 -0.74 -0.13 0.00 0.09 0.00 0.00 57.88 57.09 2jtd h LEU 8 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jtd h LEU 8 CO 0.04 1.60 -0.52 0.00 0.09 0.00 0.00 178.44 179.65 2jtd h ALA 9 N 0.31 0.92 -1.81 1.53 0.00 -0.50 -3.43 119.26 116.28 2jtd h ALA 9 Ca -0.25 -0.49 -0.63 0.00 0.00 0.00 0.00 54.91 53.54 2jtd h ALA 9 Cb 2.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.79 2jtd h ALA 9 CO 0.21 0.67 1.22 -0.11 0.00 0.00 0.00 179.25 181.25 2jtd n LEU 10 N -3.94 3.12 0.00 0.00 7.94 0.64 -4.89 117.00 119.87 2jtd n LEU 10 Ca -0.02 0.74 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 2jtd n LEU 10 Cb 0.56 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2jtd n LEU 10 CO 0.44 -0.30 0.00 -1.20 -1.11 0.00 0.00 177.39 175.22 2jtd n SER 11 N 8.04 1.77 -4.71 1.96 7.64 -1.26 -4.98 113.62 122.08 2jtd n SER 11 Ca 0.28 -0.63 -0.39 0.00 1.01 0.00 0.00 58.87 59.14 2jtd n SER 11 Cb 0.30 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 2jtd n SER 11 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2jtd s GLN 12 N -0.80 4.34 -0.82 1.43 -1.52 -1.26 -5.00 119.66 116.03 2jtd s GLN 12 Ca 0.00 0.60 -0.25 0.00 -1.95 0.00 0.00 55.36 53.75 2jtd s GLN 12 Cb 0.00 -3.47 0.02 0.00 -0.22 0.00 0.00 33.01 29.34 2jtd s GLN 12 CO 0.00 0.06 1.48 -2.00 -0.25 0.00 0.00 175.29 174.57 2jtd s GLU 13 N 0.92 3.17 -0.17 2.91 -6.30 -1.26 -4.92 118.70 113.05 2jtd s GLU 13 Ca 0.30 -0.39 -0.10 0.00 -2.50 0.00 0.00 54.97 52.27 2jtd s GLU 13 Cb -0.16 -4.65 0.06 0.00 0.00 0.00 0.00 34.13 29.37 2jtd s GLU 13 CO 0.13 -2.37 0.42 -1.58 0.02 0.00 0.00 175.26 171.88 2jtd s HIS 14 N 6.39 -0.61 -0.55 5.30 2.46 -1.26 -5.11 115.29 121.91 2jtd s HIS 14 Ca 0.46 1.31 -0.27 0.00 0.47 0.00 0.00 55.06 57.03 2jtd s HIS 14 Cb -0.06 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.64 2jtd s HIS 14 CO 0.07 -0.34 1.86 0.15 -2.47 0.00 0.00 174.74 174.00 2jtd s LYS 15 N 1.31 2.77 -0.22 2.88 3.01 -1.26 -4.79 119.74 123.44 2jtd s LYS 15 Ca -0.09 0.81 -0.17 0.00 -1.01 0.00 0.00 55.97 55.51 2jtd s LYS 15 Cb -0.08 -4.35 -0.13 0.00 -1.01 0.00 0.00 37.83 32.26 2jtd s LYS 15 CO -0.12 -2.55 -0.09 0.34 0.51 0.00 0.00 175.35 173.44 2jtd n PHE 16 N 12.30 0.57 -2.41 3.18 7.35 -1.26 -4.89 117.46 132.29 2jtd n PHE 16 Ca 0.21 0.25 -0.41 0.00 -0.76 0.00 0.00 57.45 56.74 2jtd n PHE 16 Cb 0.51 -0.96 -0.03 0.00 0.35 0.00 0.00 39.48 39.34 2jtd n PHE 16 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2jtd s PRO 17 N -2.45 4.49 -0.76 -7.13 0.04 -1.26 -4.97 135.00 122.95 2jtd s PRO 17 Ca -0.30 1.81 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 2jtd s PRO 17 Cb 0.08 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.38 2jtd s PRO 17 CO 0.49 -0.12 1.24 0.95 0.04 0.00 0.00 177.00 179.60 2jtd s THR 18 N 0.31 3.88 -0.04 1.26 -4.23 -1.26 -4.96 115.64 110.61 2jtd s THR 18 Ca 0.54 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2jtd s THR 18 Cb -0.31 -4.89 0.03 0.00 1.34 0.00 0.00 72.50 68.67 2jtd s THR 18 CO 0.34 -1.79 -0.01 -0.69 -0.54 0.00 0.00 174.62 171.93 2jtd s VAL 19 N 5.26 0.28 0.11 2.29 1.01 -1.26 -5.08 120.40 123.01 2jtd s VAL 19 Ca 0.34 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2jtd s VAL 19 Cb -0.09 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 2jtd s VAL 19 CO 0.11 0.18 1.46 -0.65 0.00 0.00 0.00 175.10 176.19 2jtd h PRO 20 N 7.34 -0.30 0.00 2.72 0.11 -1.95 -3.41 132.00 136.51 2jtd h PRO 20 Ca -0.39 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jtd h PRO 20 Cb 1.14 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jtd h PRO 20 CO 0.45 -0.20 0.00 2.41 -0.21 0.00 0.00 178.00 180.45 2jtd n THR 21 N -4.96 0.00 -0.89 -1.15 -1.04 -1.26 -5.01 114.28 99.97 2jtd n THR 21 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2jtd n THR 21 Cb 0.28 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.00 0.00 -3.20 -2.82 4.76 -1.26 -5.01 118.16 110.63 2jtd n LYS 22 Ca 0.00 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 54.98 2jtd n LYS 22 Cb 0.00 -0.16 -0.02 0.00 -1.84 0.00 0.00 35.03 33.01 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 0.00 6.68 0.04 4.39 0.01 -1.26 -4.45 113.70 119.11 2jtd s SER 23 Ca 0.00 -2.41 -0.27 0.00 1.31 0.00 0.00 55.95 54.58 2jtd s SER 23 Cb 0.00 -2.27 0.09 0.00 0.21 0.00 0.00 66.02 64.05 2jtd s SER 23 CO 0.00 -0.75 0.76 -0.70 0.41 0.00 0.00 173.24 172.95 2jtd s GLU 24 N 1.07 1.01 -0.02 12.44 2.56 -1.26 -4.10 118.70 130.39 2jtd s GLU 24 Ca 0.22 -0.25 -0.17 0.00 0.00 0.00 0.00 54.97 54.77 2jtd s GLU 24 Cb -0.10 0.47 -0.05 0.00 2.00 0.00 0.00 34.13 36.45 2jtd s GLU 24 CO -0.08 -0.42 0.47 -1.17 -0.56 0.00 0.00 175.26 173.50 2jtd s LEU 25 N -2.28 4.42 -0.15 2.70 1.98 -1.26 -4.23 118.68 119.85 2jtd s LEU 25 Ca 0.01 0.98 0.00 0.00 -2.89 0.00 0.00 54.13 52.23 2jtd s LEU 25 Cb -0.01 -2.70 -0.00 0.00 0.66 0.00 0.00 46.19 44.14 2jtd s LEU 25 CO -0.07 0.20 -0.15 0.00 -1.89 0.00 0.00 176.35 174.44 2jtd s ALA 26 N -0.48 2.52 -0.25 5.97 0.00 -1.07 -4.94 121.76 123.51 2jtd s ALA 26 Ca 0.26 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2jtd s ALA 26 Cb -0.17 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2jtd s ALA 26 CO 0.14 0.00 0.08 0.08 0.00 0.00 0.00 175.76 176.06 2jtd s VAL 27 N 0.76 4.38 -0.16 0.00 1.01 -1.26 -3.32 120.40 121.80 2jtd s VAL 27 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2jtd s VAL 27 Cb -0.15 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2jtd s VAL 27 CO 0.01 0.34 -0.10 -1.61 0.00 0.00 0.00 175.10 173.74 2jtd s GLU 28 N 1.58 3.39 -0.08 2.72 0.41 0.01 -5.03 118.70 121.70 2jtd s GLU 28 Ca 0.06 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 53.99 2jtd s GLU 28 Cb -0.15 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.40 2jtd s GLU 28 CO 0.04 0.06 -0.17 0.42 -0.49 0.00 0.00 175.26 175.11 2jtd s ILE 29 N 0.77 2.73 -0.31 -1.63 1.09 -1.26 0.20 121.20 122.79 2jtd s ILE 29 Ca -0.04 -0.81 0.03 0.00 -1.10 0.00 0.00 60.65 58.73 2jtd s ILE 29 Cb -0.15 -2.08 0.09 0.00 -1.06 0.00 0.00 42.46 39.26 2jtd s ILE 29 CO 0.01 0.56 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.65 2jtd s LEU 30 N -0.16 4.21 0.12 2.97 1.43 -1.11 -4.64 118.68 121.50 2jtd s LEU 30 Ca -0.02 -1.86 0.21 0.00 -1.03 0.00 0.00 54.13 51.43 2jtd s LEU 30 Cb -0.14 -1.58 0.84 0.00 0.03 0.00 0.00 46.19 45.35 2jtd s LEU 30 CO 0.04 -0.31 1.64 -1.84 0.23 0.00 0.00 176.35 176.10 2jtd n GLU 31 N 4.33 0.10 -0.00 1.70 -0.00 -1.26 -1.20 120.64 124.32 2jtd n GLU 31 Ca -0.03 0.29 0.16 0.00 -0.00 0.00 0.00 57.16 57.58 2jtd n GLU 31 Cb 0.42 -1.68 0.87 0.00 -0.00 0.00 0.00 31.44 31.05 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jtd n LYS 32 N -1.86 1.12 0.00 3.44 5.02 -1.26 -4.92 118.16 119.70 2jtd n LYS 32 Ca 0.03 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2jtd n LYS 32 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.03 -0.95 3.67 0.72 0.00 -0.34 -5.18 105.19 104.14 2jtd n GLY 33 Ca 0.23 0.66 -0.23 0.00 0.00 0.00 0.00 46.02 46.68 2jtd n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jtd n GLN 34 N 0.00 -0.30 -4.84 1.61 6.02 -1.21 -4.75 117.38 113.91 2jtd n GLN 34 Ca 0.00 -2.45 -0.33 0.00 -0.01 0.00 0.00 57.00 54.22 2jtd n GLN 34 Cb 0.00 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.34 2jtd n GLN 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jtd s VAL 35 N -3.08 2.41 -0.42 5.09 0.11 -1.21 -2.74 120.40 120.57 2jtd s VAL 35 Ca 0.64 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 58.65 2jtd s VAL 35 Cb -0.03 -1.97 0.02 0.00 -1.53 0.00 0.00 36.38 32.86 2jtd s VAL 35 CO 0.43 0.54 0.39 -0.60 -3.33 0.00 0.00 175.10 172.53 2jtd s ARG 36 N 0.57 3.06 -0.20 1.54 3.52 0.13 -3.52 118.95 124.05 2jtd s ARG 36 Ca -0.11 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 2jtd s ARG 36 Cb -0.16 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 2jtd s ARG 36 CO 0.04 -0.81 -0.13 0.12 -0.81 0.00 0.00 175.30 173.71 2jtd s PHE 37 N 1.99 2.86 -0.07 5.12 2.19 -1.15 -0.81 117.98 128.11 2jtd s PHE 37 Ca 0.10 -1.28 -0.13 0.00 0.33 0.00 0.00 56.93 55.95 2jtd s PHE 37 Cb -0.18 -2.00 0.03 0.00 -1.31 0.00 0.00 43.02 39.56 2jtd s PHE 37 CO 0.12 -0.67 0.31 1.67 1.83 0.00 0.00 175.22 178.49 2jtd s TRP 38 N 1.34 -0.27 0.17 10.12 1.48 -1.21 -0.29 118.94 130.29 2jtd s TRP 38 Ca 0.05 0.58 0.07 0.00 -1.06 0.00 0.00 56.10 55.74 2jtd s TRP 38 Cb -0.14 0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 32.23 2jtd s TRP 38 CO -0.08 -0.27 -0.13 0.00 -4.06 0.00 0.00 176.95 172.41 2jtd s MET 39 N -0.52 1.20 -0.08 3.25 0.23 0.69 -2.60 119.30 121.48 2jtd s MET 39 Ca -0.06 -1.49 0.03 0.00 -1.03 0.00 0.00 55.69 53.14 2jtd s MET 39 Cb -0.04 -0.96 0.01 0.00 -1.53 0.00 0.00 34.83 32.31 2jtd s MET 39 CO 0.02 0.16 -0.18 -1.14 -2.03 0.00 0.00 175.02 171.85 2jtd s GLN 40 N -3.47 2.37 0.18 3.16 0.74 -1.26 -1.42 119.66 119.96 2jtd s GLN 40 Ca 0.18 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.89 2jtd s GLN 40 Cb -0.01 -1.85 -0.06 0.00 1.10 0.00 0.00 33.01 32.19 2jtd s GLN 40 CO 0.04 0.10 0.44 0.00 -0.55 0.00 0.00 175.29 175.32 2jtd s ALA 41 N 0.51 3.72 0.22 1.58 0.00 -0.51 -4.09 121.76 123.19 2jtd s ALA 41 Ca -0.17 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2jtd s ALA 41 Cb -0.17 -2.22 0.18 0.00 0.00 0.00 0.00 23.12 20.91 2jtd s ALA 41 CO 0.06 0.59 1.85 1.05 0.00 0.00 0.00 175.76 179.32 2jtd h GLU 42 N 2.65 1.13 0.00 0.00 -0.00 -1.87 -3.44 114.58 113.05 2jtd h GLU 42 Ca -0.46 -0.12 -0.16 0.00 -0.00 0.00 0.00 59.36 58.62 2jtd h GLU 42 Cb 1.17 -0.23 -0.04 0.00 -0.00 0.00 0.00 28.75 29.65 2jtd h GLU 42 CO 0.71 0.82 -0.03 1.63 -0.00 0.00 0.00 179.01 182.13 2jtd n LYS 43 N -4.42 0.59 0.00 1.06 5.02 -1.26 -4.98 118.16 114.16 2jtd n LYS 43 Ca 0.08 -1.95 0.06 0.00 -2.02 0.00 0.00 58.31 54.49 2jtd n LYS 43 Cb 0.07 1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 37.02 2jtd n LYS 43 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2jtd n LEU 44 N 0.00 0.86 -4.15 -0.35 -0.00 -1.26 -4.77 117.00 107.34 2jtd n LEU 44 Ca -0.01 -0.57 -0.35 0.00 -0.00 0.00 0.00 56.01 55.08 2jtd n LEU 44 Cb 0.43 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.72 2jtd n LEU 44 CO 0.21 0.19 -0.30 -0.55 -0.00 0.00 0.00 177.39 176.95 2jtd s SER 45 N -2.11 4.99 0.05 1.45 0.15 -1.26 -5.05 113.70 111.92 2jtd s SER 45 Ca 0.07 -1.56 -0.17 0.00 0.70 0.00 0.00 55.95 54.99 2jtd s SER 45 Cb 0.10 -1.74 0.06 0.00 -1.71 0.00 0.00 66.02 62.73 2jtd s SER 45 CO 0.50 -0.35 0.77 -1.20 1.20 0.00 0.00 173.24 174.15 2jtd n SER 46 N 4.59 -0.97 -0.75 5.45 7.64 -1.26 -4.99 113.62 123.32 2jtd n SER 46 Ca -0.09 -1.38 0.06 0.00 1.01 0.00 0.00 58.87 58.48 2jtd n SER 46 Cb 0.43 1.55 0.17 0.00 -1.01 0.00 0.00 64.21 65.35 2jtd n SER 46 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2jtd n ASN 47 N -0.91 2.18 -4.56 6.43 0.23 -1.26 -4.83 115.26 112.54 2jtd n ASN 47 Ca 0.01 -2.03 -0.35 0.00 -0.53 0.00 0.00 54.58 51.68 2jtd n ASN 47 Cb 0.39 -0.28 -0.04 0.00 -2.08 0.00 0.00 39.78 37.76 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtd s ALA 48 N -1.51 2.12 -0.08 -2.53 0.00 -1.26 -4.80 121.76 113.71 2jtd s ALA 48 Ca 0.26 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 2jtd s ALA 48 Cb 0.14 -4.43 -0.05 0.00 0.00 0.00 0.00 23.12 18.79 2jtd s ALA 48 CO 0.17 -4.14 0.38 -1.59 0.00 0.00 0.00 175.76 170.58 2jtd s LYS 49 N 6.59 4.08 -0.34 0.00 -2.85 -1.26 -4.84 119.74 121.11 2jtd s LYS 49 Ca 0.61 0.31 -0.03 0.00 -1.00 0.00 0.00 55.97 55.86 2jtd s LYS 49 Cb -0.08 -3.32 0.07 0.00 -2.06 0.00 0.00 37.83 32.43 2jtd s LYS 49 CO 0.08 0.46 0.09 0.54 0.10 0.00 0.00 175.35 176.61 2jtd s VAL 50 N -0.28 3.27 -0.12 1.79 0.11 -1.26 -2.49 120.40 121.41 2jtd s VAL 50 Ca 0.22 -1.53 -0.22 0.00 -2.93 0.00 0.00 61.98 57.52 2jtd s VAL 50 Cb -0.15 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 2jtd s VAL 50 CO 0.10 -0.31 0.65 -0.44 -3.33 0.00 0.00 175.10 171.77 2jtd s SER 51 N 1.47 6.83 -0.86 3.54 0.01 -1.10 -4.98 113.70 118.62 2jtd s SER 51 Ca -0.00 1.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.09 2jtd s SER 51 Cb -0.21 -2.37 0.15 0.00 0.21 0.00 0.00 66.02 63.80 2jtd s SER 51 CO -0.01 -0.16 0.99 -0.31 0.41 0.00 0.00 173.24 174.16 2jtd s TYR 52 N 1.22 3.24 -0.26 2.43 2.02 -1.26 -3.65 117.35 121.08 2jtd s TYR 52 Ca 0.33 -1.45 -0.05 0.00 -0.37 0.00 0.00 57.07 55.52 2jtd s TYR 52 Cb -0.17 -4.15 -0.00 0.00 -0.40 0.00 0.00 41.96 37.25 2jtd s TYR 52 CO 0.14 -1.36 0.03 0.42 -1.57 0.00 0.00 175.55 173.21 2jtd s ILE 53 N 2.16 3.74 -0.33 2.71 1.09 -1.23 -2.41 121.20 126.93 2jtd s ILE 53 Ca 0.27 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 59.22 2jtd s ILE 53 Cb -0.09 -2.84 0.07 0.00 -1.06 0.00 0.00 42.46 38.55 2jtd s ILE 53 CO -0.07 0.23 0.06 0.12 -0.10 0.00 0.00 174.94 175.18 2jtd s PHE 54 N 1.49 3.41 -1.46 3.97 5.36 0.67 -1.30 117.98 130.12 2jtd s PHE 54 Ca 0.04 -2.16 -0.09 0.00 -0.96 0.00 0.00 56.93 53.76 2jtd s PHE 54 Cb -0.16 -2.51 0.04 0.00 -0.34 0.00 0.00 43.02 40.05 2jtd s PHE 54 CO 0.00 -0.87 0.80 -1.71 -1.46 0.00 0.00 175.22 171.99 2jtd n ASN 55 N 4.57 -5.43 -0.81 6.13 2.85 0.41 -0.75 115.26 122.23 2jtd n ASN 55 Ca -0.08 -0.48 -0.10 0.00 -0.11 0.00 0.00 54.58 53.81 2jtd n ASN 55 Cb 0.43 -4.36 -0.04 0.00 1.24 0.00 0.00 39.78 37.05 2jtd n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jtd n GLU 56 N -4.35 -0.70 -4.81 1.20 1.02 -1.26 -5.01 120.64 106.72 2jtd n GLU 56 Ca -0.03 0.81 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 2jtd n GLU 56 Cb 0.57 -4.75 -0.15 0.00 -0.02 0.00 0.00 31.44 27.09 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 -3.04 3.28 -0.21 3.49 1.02 0.08 -5.06 119.74 119.29 2jtd s LYS 57 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 2jtd s LYS 57 Cb 0.00 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2jtd s LYS 57 CO 0.00 0.16 1.36 -1.21 -0.92 0.00 0.00 175.35 174.74 2jtd s GLU 58 N 0.46 4.06 0.33 1.68 2.02 -1.26 -0.24 118.70 125.75 2jtd s GLU 58 Ca -0.11 1.56 0.08 0.00 0.02 0.00 0.00 54.97 56.52 2jtd s GLU 58 Cb -0.16 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 2jtd s GLU 58 CO 0.05 -0.94 0.19 0.96 0.02 0.00 0.00 175.26 175.54 2jtd s ILE 59 N 4.08 3.28 0.13 -1.63 -4.36 -1.01 -4.98 121.20 116.71 2jtd s ILE 59 Ca 0.59 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.42 2jtd s ILE 59 Cb -0.21 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 2jtd s ILE 59 CO 0.21 -0.20 -0.04 -0.36 0.24 0.00 0.00 174.94 174.79 2jtd s PHE 60 N -2.37 1.06 0.49 1.37 0.08 -1.26 -4.89 117.98 112.46 2jtd s PHE 60 Ca 0.38 -0.95 -0.23 0.00 0.12 0.00 0.00 56.93 56.26 2jtd s PHE 60 Cb -0.04 -0.60 -0.08 0.00 -0.57 0.00 0.00 43.02 41.73 2jtd s PHE 60 CO 0.24 -0.16 1.13 -1.91 -0.10 0.00 0.00 175.22 174.42 2jtd n GLU 61 N -0.14 1.46 0.00 0.44 2.13 -1.26 -4.91 120.64 118.35 2jtd n GLU 61 Ca -0.10 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2jtd n GLU 61 Cb 0.62 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2jtd n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jtd n GLY 62 N 1.03 1.58 0.30 8.31 0.00 -1.12 -4.98 105.19 110.32 2jtd n GLY 62 Ca 0.10 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.73 -0.02 1.61 0.11 -2.04 -3.32 132.00 127.61 2jtd h PRO 63 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2jtd h PRO 63 Cb 0.00 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.28 2jtd h PRO 63 CO 0.00 -0.48 -0.28 0.36 -0.21 0.00 0.00 178.00 177.39 2jtd n LYS 64 N -4.26 1.59 -3.49 1.05 2.85 -1.26 -4.92 118.16 109.72 2jtd n LYS 64 Ca -0.09 -1.21 -0.37 0.00 -1.05 0.00 0.00 58.31 55.59 2jtd n LYS 64 Cb 0.30 -1.40 -0.07 0.00 -0.65 0.00 0.00 35.03 33.21 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2jtd s TYR 65 N -2.09 3.45 -0.09 5.58 2.02 -1.25 -3.37 117.35 121.61 2jtd s TYR 65 Ca 0.19 0.63 -0.03 0.00 -0.37 0.00 0.00 57.07 57.50 2jtd s TYR 65 Cb 0.17 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2jtd s TYR 65 CO 0.42 0.19 0.06 0.21 -1.57 0.00 0.00 175.55 174.86 2jtd s LYS 66 N 0.62 0.10 -0.06 -0.62 2.47 -1.25 -2.80 119.74 118.20 2jtd s LYS 66 Ca 0.18 0.17 0.01 0.00 -1.56 0.00 0.00 55.97 54.78 2jtd s LYS 66 Cb -0.13 -1.02 0.02 0.00 -1.46 0.00 0.00 37.83 35.23 2jtd s LYS 66 CO 0.05 -0.44 -0.07 0.00 0.16 0.00 0.00 175.35 175.05 2jtd s MET 67 N 2.12 1.21 0.08 4.03 0.23 -1.26 -1.74 119.30 123.96 2jtd s MET 67 Ca 0.04 -0.23 0.08 0.00 -1.03 0.00 0.00 55.69 54.56 2jtd s MET 67 Cb -0.13 -1.12 -0.03 0.00 -1.53 0.00 0.00 34.83 32.02 2jtd s MET 67 CO -0.05 -0.06 -0.22 -1.01 -2.03 0.00 0.00 175.02 171.65 2jtd s HIS 68 N 0.92 1.91 -0.27 3.16 3.76 -1.16 -5.03 115.29 118.58 2jtd s HIS 68 Ca -0.11 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.35 2jtd s HIS 68 Cb -0.15 -1.09 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 2jtd s HIS 68 CO 0.01 0.17 0.05 -1.50 -0.85 0.00 0.00 174.74 172.62 2jtd s ILE 69 N -0.98 3.90 -0.29 0.60 2.07 -1.26 -3.25 121.20 122.00 2jtd s ILE 69 Ca 0.08 -0.53 -0.23 0.00 -1.41 0.00 0.00 60.65 58.56 2jtd s ILE 69 Cb -0.10 -2.92 -0.00 0.00 0.13 0.00 0.00 42.46 39.57 2jtd s ILE 69 CO 0.03 0.22 0.78 -0.62 -1.91 0.00 0.00 174.94 173.44 2jtd s ASP 70 N 1.52 6.69 0.00 4.50 2.15 0.35 -4.91 116.67 126.97 2jtd s ASP 70 Ca 0.04 0.76 0.15 0.00 0.43 0.00 0.00 52.55 53.93 2jtd s ASP 70 Cb -0.16 -2.41 0.46 0.00 -0.30 0.00 0.00 42.92 40.52 2jtd s ASP 70 CO 0.01 -0.57 1.37 0.54 -0.17 0.00 0.00 175.17 176.36 2jtd n ARG 71 N 6.11 1.95 -0.08 4.34 1.74 -1.26 -2.40 116.66 127.06 2jtd n ARG 71 Ca 0.04 -1.46 -0.08 0.00 -0.77 0.00 0.00 57.85 55.57 2jtd n ARG 71 Cb 0.48 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.68 1.84 -0.04 0.55 3.02 -1.26 -4.77 115.26 115.28 2jtd n ASN 72 Ca 0.15 0.55 -0.02 0.00 -0.03 0.00 0.00 54.58 55.23 2jtd n ASN 72 Cb 0.36 -0.86 -0.09 0.00 -0.61 0.00 0.00 39.78 38.58 2jtd n ASN 72 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jtd n THR 73 N -4.56 0.52 0.00 3.41 -1.04 -1.26 -5.01 114.28 106.34 2jtd n THR 73 Ca -0.13 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2jtd n THR 73 Cb 0.38 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 2.17 1.58 3.73 3.41 0.00 -1.01 -4.70 105.19 110.38 2jtd n GLY 74 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 5.08 -0.23 -0.61 -1.09 -1.21 -1.42 121.20 119.72 2jtd s ILE 75 Ca 0.00 1.19 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 2jtd s ILE 75 Cb 0.00 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2jtd s ILE 75 CO 0.00 0.32 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.34 2jtd s ILE 76 N 0.52 1.57 0.35 2.92 1.01 -0.51 -0.50 121.20 126.56 2jtd s ILE 76 Ca 0.31 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2jtd s ILE 76 Cb -0.17 -1.80 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 2jtd s ILE 76 CO 0.14 -0.06 -0.02 -1.83 0.00 0.00 0.00 174.94 173.18 2jtd s GLU 77 N 1.39 1.77 -0.19 2.79 4.04 -1.20 -0.22 118.70 127.08 2jtd s GLU 77 Ca -0.05 -1.96 -0.06 0.00 0.04 0.00 0.00 54.97 52.95 2jtd s GLU 77 Cb -0.18 -1.40 0.09 0.00 0.02 0.00 0.00 34.13 32.66 2jtd s GLU 77 CO -0.06 -0.01 0.36 1.41 -1.84 0.00 0.00 175.26 175.12 2jtd s MET 78 N -3.72 0.27 -0.31 -4.83 1.75 0.60 -2.99 119.30 110.08 2jtd s MET 78 Ca 0.33 0.85 -0.07 0.00 -1.25 0.00 0.00 55.69 55.56 2jtd s MET 78 Cb 0.06 0.05 0.02 0.00 2.84 0.00 0.00 34.83 37.81 2jtd s MET 78 CO 0.16 -0.34 0.09 0.12 -0.65 0.00 0.00 175.02 174.40 2jtd s PHE 79 N 2.54 3.18 -0.09 4.11 5.36 -0.71 -2.91 117.98 129.46 2jtd s PHE 79 Ca 0.02 -1.11 -0.02 0.00 -0.96 0.00 0.00 56.93 54.86 2jtd s PHE 79 Cb -0.13 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 2jtd s PHE 79 CO -0.12 -0.62 -0.02 -1.64 -1.46 0.00 0.00 175.22 171.36 2jtd s MET 80 N 1.47 3.04 0.56 10.12 -1.94 -1.23 -3.80 119.30 127.52 2jtd s MET 80 Ca 0.01 -0.45 -0.06 0.00 -1.71 0.00 0.00 55.69 53.49 2jtd s MET 80 Cb -0.18 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 2jtd s MET 80 CO 0.02 0.63 0.87 -1.21 -0.01 0.00 0.00 175.02 175.33 2jtd s GLU 81 N -0.70 3.14 -0.17 2.03 0.41 -1.22 -3.30 118.70 118.89 2jtd s GLU 81 Ca 0.11 0.09 -0.17 0.00 -0.41 0.00 0.00 54.97 54.59 2jtd s GLU 81 Cb -0.12 -2.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2jtd s GLU 81 CO 0.02 -0.54 0.43 0.15 -0.49 0.00 0.00 175.26 174.82 2jtd s LYS 82 N -4.92 4.24 0.00 1.61 -0.14 -1.26 -4.94 119.74 114.33 2jtd s LYS 82 Ca 0.52 0.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.43 2jtd s LYS 82 Cb -0.10 -3.50 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 2jtd s LYS 82 CO 0.45 0.04 0.00 1.28 -0.76 0.00 0.00 175.35 176.36 2jtd n LEU 83 N 4.16 0.00 -4.24 3.17 4.77 -1.26 -5.14 117.00 118.46 2jtd n LEU 83 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.76 2jtd n LEU 83 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2jtd n LEU 83 CO 0.41 -0.29 -0.38 -1.10 -1.33 0.00 0.00 177.39 174.70 2jtd s GLN 84 N -0.58 1.06 -0.04 3.23 -0.21 -1.26 -5.10 119.66 116.76 2jtd s GLN 84 Ca 0.00 -1.47 -0.05 0.00 0.02 0.00 0.00 55.36 53.86 2jtd s GLN 84 Cb 0.00 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.50 2jtd s GLN 84 CO 0.00 0.00 0.28 0.22 -2.12 0.00 0.00 175.29 173.67 2jtd h ASP 85 N 2.76 -0.15 0.10 5.90 1.82 -2.00 -3.25 116.42 121.60 2jtd h ASP 85 Ca -0.37 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2jtd h ASP 85 Cb 1.19 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2jtd h ASP 85 CO 0.64 0.15 0.00 -1.84 -1.61 0.00 0.00 179.24 176.58 2jtd n GLU 86 N -3.94 0.78 0.00 0.28 0.28 -1.26 -1.84 120.64 114.94 2jtd n GLU 86 Ca -0.02 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.11 2jtd n GLU 86 Cb 0.07 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 31.67 2jtd n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jtd n ASP 87 N -1.06 2.48 -4.79 -1.84 9.92 -1.25 -4.79 116.55 115.23 2jtd n ASP 87 Ca 0.19 -1.81 -0.36 0.00 -0.53 0.00 0.00 54.79 52.29 2jtd n ASP 87 Cb 0.12 0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.55 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jtd s GLU 88 N -2.03 3.67 0.01 -1.24 2.56 -0.77 -4.95 118.70 115.95 2jtd s GLU 88 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.07 2jtd s GLU 88 Cb 0.20 -3.22 -0.00 0.00 2.00 0.00 0.00 34.13 33.11 2jtd s GLU 88 CO 0.33 0.58 0.01 0.41 -0.56 0.00 0.00 175.26 176.02 2jtd n GLY 89 N 2.61 3.76 3.62 -1.50 0.00 -0.06 -4.43 105.19 109.19 2jtd n GLY 89 Ca -0.18 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.14 4.78 -0.11 2.61 2.01 -1.26 -1.97 115.64 119.55 2jtd s THR 90 Ca 0.01 1.25 -0.14 0.00 0.31 0.00 0.00 61.69 63.12 2jtd s THR 90 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2jtd s THR 90 CO 0.00 -0.25 0.32 -0.31 -0.69 0.00 0.00 174.62 173.69 2jtd s TYR 91 N 3.00 3.54 -0.22 4.92 1.51 0.46 -0.45 117.35 130.11 2jtd s TYR 91 Ca 0.33 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 57.06 2jtd s TYR 91 Cb -0.14 -2.30 0.08 0.00 -0.11 0.00 0.00 41.96 39.49 2jtd s TYR 91 CO 0.12 0.39 0.15 0.99 -1.11 0.00 0.00 175.55 176.09 2jtd s THR 92 N -0.06 -0.17 0.12 -0.71 2.01 -0.42 -0.80 115.64 115.62 2jtd s THR 92 Ca 0.19 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.90 2jtd s THR 92 Cb -0.14 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2jtd s THR 92 CO 0.07 -0.40 0.06 -0.36 -0.69 0.00 0.00 174.62 173.30 2jtd s PHE 93 N 2.19 3.06 -0.13 4.92 0.40 0.50 -3.47 117.98 125.45 2jtd s PHE 93 Ca 0.06 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2jtd s PHE 93 Cb -0.16 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 41.88 2jtd s PHE 93 CO -0.19 0.51 -0.03 -1.14 0.70 0.00 0.00 175.22 175.07 2jtd s GLN 94 N -2.65 1.08 -0.19 0.44 0.74 -1.24 -1.08 119.66 116.77 2jtd s GLN 94 Ca 0.28 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.42 2jtd s GLN 94 Cb -0.11 -1.61 -0.01 0.00 1.10 0.00 0.00 33.01 32.38 2jtd s GLN 94 CO 0.21 -0.39 -0.09 0.42 -0.55 0.00 0.00 175.29 174.89 2jtd s ILE 95 N 1.79 3.11 -0.27 -2.34 1.01 -0.78 -2.69 121.20 121.02 2jtd s ILE 95 Ca 0.03 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 2jtd s ILE 95 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2jtd s ILE 95 CO -0.07 0.47 0.87 -1.58 0.00 0.00 0.00 174.94 174.63 2jtd s GLN 96 N 1.08 4.10 -0.93 2.79 0.74 -1.04 0.57 119.66 126.97 2jtd s GLN 96 Ca 0.00 0.87 -0.02 0.00 0.05 0.00 0.00 55.36 56.26 2jtd s GLN 96 Cb -0.15 -3.69 0.24 0.00 1.10 0.00 0.00 33.01 30.52 2jtd s GLN 96 CO -0.02 -0.64 0.91 -3.47 -0.55 0.00 0.00 175.29 171.53 2jtd n ASP 97 N 6.22 4.61 0.00 6.67 2.03 0.11 -4.06 116.55 132.13 2jtd n ASP 97 Ca 0.06 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.19 2jtd n ASP 97 Cb 0.48 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 2jtd n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtd n GLY 98 N 2.08 0.85 0.32 0.27 0.00 -1.26 -0.25 105.19 107.21 2jtd n GLY 98 Ca 0.23 0.45 0.04 0.00 0.00 0.00 0.00 46.02 46.74 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 0.00 0.48 -3.50 1.61 4.01 -1.26 -5.01 118.16 114.50 2jtd n LYS 99 Ca 0.00 -0.95 -0.20 0.00 -0.51 0.00 0.00 58.31 56.65 2jtd n LYS 99 Cb 0.00 -1.15 -0.02 0.00 -0.51 0.00 0.00 35.03 33.36 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jtd s ALA 100 N -0.79 4.13 -0.16 7.82 0.00 0.66 -5.12 121.76 128.30 2jtd s ALA 100 Ca 0.10 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 2jtd s ALA 100 Cb 0.07 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.93 2jtd s ALA 100 CO 0.12 -0.14 -0.04 0.95 0.00 0.00 0.00 175.76 176.66 2jtd s THR 101 N -2.35 0.98 0.36 0.00 -4.23 -1.26 0.07 115.64 109.21 2jtd s THR 101 Ca 0.47 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 60.15 2jtd s THR 101 Cb -0.06 -1.20 -0.09 0.00 1.34 0.00 0.00 72.50 72.48 2jtd s THR 101 CO 0.29 0.08 1.02 -0.83 -0.54 0.00 0.00 174.62 174.64 2jtd s GLY 102 N 1.68 2.78 -0.08 3.99 0.00 0.19 -4.93 107.32 110.97 2jtd s GLY 102 Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.40 2jtd s GLY 102 CO -0.07 1.10 -0.12 -2.38 0.00 0.00 0.00 173.10 171.63 2jtd s HIS 103 N -1.61 1.52 -0.35 1.90 -3.43 -1.26 -1.86 115.29 110.21 2jtd s HIS 103 Ca 0.54 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 54.21 2jtd s HIS 103 Cb -0.22 -1.13 0.11 0.00 -1.43 0.00 0.00 32.58 29.91 2jtd s HIS 103 CO 0.27 -0.32 0.10 -1.12 -2.00 0.00 0.00 174.74 171.67 2jtd s SER 104 N 0.81 4.31 -0.22 7.38 0.01 -0.24 -4.69 113.70 121.06 2jtd s SER 104 Ca -0.12 -2.03 -0.01 0.00 1.31 0.00 0.00 55.95 55.10 2jtd s SER 104 Cb -0.15 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 64.85 2jtd s SER 104 CO 0.02 -0.38 -0.10 -0.89 0.41 0.00 0.00 173.24 172.30 2jtd s THR 105 N 1.09 2.75 -0.15 1.44 2.01 -1.26 -0.37 115.64 121.14 2jtd s THR 105 Ca 0.11 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 2jtd s THR 105 Cb -0.19 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.10 2jtd s THR 105 CO -0.14 0.37 0.19 -0.22 -0.69 0.00 0.00 174.62 174.12 2jtd s LEU 106 N 1.35 -0.05 -0.33 4.42 1.98 0.02 -5.03 118.68 121.04 2jtd s LEU 106 Ca 0.03 -0.02 -0.14 0.00 -2.89 0.00 0.00 54.13 51.11 2jtd s LEU 106 Cb -0.15 0.29 -0.02 0.00 0.66 0.00 0.00 46.19 46.97 2jtd s LEU 106 CO -0.07 -0.29 0.30 0.54 -1.89 0.00 0.00 176.35 174.93 2jtd s VAL 107 N 2.30 5.23 -0.31 1.68 0.11 -1.26 -0.41 120.40 127.74 2jtd s VAL 107 Ca 0.05 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2jtd s VAL 107 Cb -0.14 -3.75 0.09 0.00 -1.53 0.00 0.00 36.38 31.05 2jtd s VAL 107 CO -0.09 -0.02 0.01 -0.76 -3.33 0.00 0.00 175.10 170.90 2jtd s LEU 108 N 1.87 4.21 -0.13 2.54 1.43 -0.83 -4.41 118.68 123.36 2jtd s LEU 108 Ca 0.09 -1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 51.24 2jtd s LEU 108 Cb -0.17 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2jtd s LEU 108 CO 0.11 -0.33 0.29 -0.63 0.23 0.00 0.00 176.35 176.03 2jtd s ILE 109 N 1.01 -0.20 0.00 -0.59 1.01 -1.26 -0.88 121.20 120.29 2jtd s ILE 109 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2jtd s ILE 109 Cb -0.19 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2jtd s ILE 109 CO -0.08 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2jtd n GLY 110 N 4.68 1.60 0.19 6.18 0.00 -1.25 0.60 105.19 117.18 2jtd n GLY 110 Ca -0.18 0.60 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 0.58 -0.58 1.61 1.82 -1.99 -3.31 116.42 114.56 2jtd h ASP 111 Ca 0.00 -0.38 -0.03 0.00 -0.39 0.00 0.00 57.03 56.23 2jtd h ASP 111 Cb 0.00 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 2jtd h ASP 111 CO 0.00 1.12 0.26 0.58 -1.61 0.00 0.00 179.24 179.60 2jtd h VAL 112 N 0.34 1.21 0.00 2.25 2.07 -0.22 -2.50 116.25 119.40 2jtd h VAL 112 Ca -0.03 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2jtd h VAL 112 Cb 1.30 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2jtd h VAL 112 CO 0.13 0.26 -0.23 0.10 0.02 0.00 0.00 177.57 177.85 2jtd h TYR 113 N 0.88 0.00 0.00 1.57 -0.00 -1.53 -2.50 116.97 115.39 2jtd h TYR 113 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.92 2jtd h TYR 113 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.87 2jtd h TYR 113 CO 0.01 0.23 -0.11 1.57 -0.00 0.00 0.00 178.16 179.86 2jtd h LYS 114 N 0.00 0.00 -0.06 0.10 2.10 -1.60 -2.18 116.57 114.93 2jtd h LYS 114 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jtd h LYS 114 Cb 0.78 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2jtd h LYS 114 CO 0.03 0.11 0.03 -0.22 -2.00 0.00 0.00 179.45 177.40 2jtd h LYS 115 N 0.00 0.08 -0.19 0.07 3.64 -1.53 0.18 116.57 118.82 2jtd h LYS 115 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2jtd h LYS 115 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2jtd h LYS 115 CO 0.01 0.15 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.26 2jtd h LEU 116 N -0.01 0.25 -0.34 5.20 -0.00 -1.53 -0.39 115.31 118.49 2jtd h LEU 116 Ca 0.02 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.80 2jtd h LEU 116 Cb 0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2jtd h LEU 116 CO -0.00 0.32 -0.05 1.56 -0.00 0.00 0.00 178.44 180.26 2jtd h GLN 117 N 0.27 0.63 -0.12 1.13 7.50 -0.90 -2.23 115.11 121.39 2jtd h GLN 117 Ca 0.06 -0.23 -0.11 0.00 0.50 0.00 0.00 58.65 58.87 2jtd h GLN 117 Cb 0.22 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 2jtd h GLN 117 CO 0.01 0.79 -0.42 -0.22 -1.50 0.00 0.00 178.83 177.48 2jtd h LYS 118 N 0.42 0.28 0.00 1.46 1.63 -0.39 -2.40 116.57 117.57 2jtd h LYS 118 Ca 0.09 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2jtd h LYS 118 Cb 0.54 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2jtd h LYS 118 CO 0.03 0.66 -0.01 0.93 -3.45 0.00 0.00 179.45 177.61 2jtd h GLU 119 N 0.23 0.00 0.00 1.90 5.08 -0.97 -3.25 114.58 117.57 2jtd h GLU 119 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jtd h GLU 119 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jtd h GLU 119 CO 0.07 0.01 -0.15 0.00 -1.00 0.00 0.00 179.01 177.94 2jtd h ALA 120 N 1.99 0.00 -3.30 3.43 0.00 -1.12 -3.44 119.26 116.81 2jtd h ALA 120 Ca -0.00 -0.22 -0.68 0.00 0.00 0.00 0.00 54.91 54.01 2jtd h ALA 120 Cb 0.71 0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.29 2jtd h ALA 120 CO 0.00 0.15 -0.58 -1.21 0.00 0.00 0.00 179.25 177.61 2jtd s GLU 121 N -1.48 1.92 0.00 0.00 2.02 -0.93 -5.05 118.70 115.18 2jtd s GLU 121 Ca -0.04 -1.96 0.32 0.00 0.02 0.00 0.00 54.97 53.30 2jtd s GLU 121 Cb 0.01 -3.48 1.90 0.00 0.10 0.00 0.00 34.13 32.65 2jtd s GLU 121 CO 0.06 -1.05 2.23 0.34 0.02 0.00 0.00 175.26 176.86