#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 4.52 -0.26 3.49 2.12 -1.26 -4.97 118.70 122.34 2jtd s GLU 2 Ca 0.00 1.83 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2jtd s GLU 2 Cb 0.00 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.15 2jtd s GLU 2 CO 0.00 -0.04 1.03 -2.00 -0.54 0.00 0.00 175.26 173.71 2jtd s GLU 3 N -0.29 4.18 0.12 4.30 2.12 -1.26 -4.91 118.70 122.96 2jtd s GLU 3 Ca 0.52 1.22 0.26 0.00 0.36 0.00 0.00 54.97 57.32 2jtd s GLU 3 Cb -0.32 -3.67 0.96 0.00 0.26 0.00 0.00 34.13 31.36 2jtd s GLU 3 CO 0.36 -0.71 1.79 -1.33 -0.54 0.00 0.00 175.26 174.83 2jtd n MET 4 N 6.48 0.13 0.06 4.30 2.81 -1.26 -3.99 117.12 125.65 2jtd n MET 4 Ca 0.11 0.17 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 2jtd n MET 4 Cb 0.47 -1.67 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 2jtd n MET 4 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2jtd h LYS 5 N 0.00 -0.13 0.00 0.03 1.79 -2.01 -1.60 116.57 114.64 2jtd h LYS 5 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jtd h LYS 5 Cb 0.55 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2jtd h LYS 5 CO 0.00 -0.09 0.00 0.07 -1.08 0.00 0.00 179.45 178.35 2jtd h ARG 6 N -0.14 0.00 -0.01 3.15 0.11 -1.95 -2.21 114.38 113.34 2jtd h ARG 6 Ca 0.02 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.93 2jtd h ARG 6 Cb 0.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 2jtd h ARG 6 CO -0.05 0.00 -0.75 1.25 0.10 0.00 0.00 179.97 180.52 2jtd h LEU 7 N 0.00 0.09 -0.45 0.08 6.46 -1.48 -3.03 115.31 116.99 2jtd h LEU 7 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2jtd h LEU 7 Cb 0.35 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2jtd h LEU 7 CO 0.00 0.80 0.00 0.18 -0.62 0.00 0.00 178.44 178.80 2jtd n LEU 8 N -3.69 0.49 0.20 2.25 4.77 -0.83 -2.81 117.00 117.38 2jtd n LEU 8 Ca -0.02 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 2jtd n LEU 8 Cb 0.72 -0.53 0.42 0.00 -2.33 0.00 0.00 43.42 41.70 2jtd n LEU 8 CO 0.45 -0.43 0.79 0.00 -1.33 0.00 0.00 177.39 176.86 2jtd h ALA 9 N 2.37 1.47 -2.68 -1.18 0.00 -1.63 -3.43 119.26 114.18 2jtd h ALA 9 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 2jtd h ALA 9 Cb 0.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jtd h ALA 9 CO 0.00 0.38 0.23 -0.51 0.00 0.00 0.00 179.25 179.35 2jtd s LEU 10 N -8.25 4.54 0.33 0.00 1.02 -1.12 -4.85 118.68 110.34 2jtd s LEU 10 Ca -0.03 1.65 0.00 0.00 0.02 0.00 0.00 54.13 55.77 2jtd s LEU 10 Cb 0.15 -3.37 0.00 0.00 0.02 0.00 0.00 46.19 42.99 2jtd s LEU 10 CO 0.71 0.09 0.00 -1.20 0.02 0.00 0.00 176.35 175.97 2jtd n SER 11 N 2.20 -2.84 -3.87 2.29 7.64 -1.26 -5.08 113.62 112.69 2jtd n SER 11 Ca -0.03 0.63 -0.12 0.00 1.01 0.00 0.00 58.87 60.36 2jtd n SER 11 Cb 0.49 2.78 -0.07 0.00 -1.01 0.00 0.00 64.21 66.41 2jtd n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtd s GLN 12 N -2.00 1.52 0.00 1.43 -2.07 -1.26 -5.18 119.66 112.10 2jtd s GLN 12 Ca 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 55.36 52.00 2jtd s GLN 12 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2jtd s GLN 12 CO 0.00 -0.59 0.00 -0.85 -1.32 0.00 0.00 175.29 172.53 2jtd n GLU 13 N -0.40 0.70 -2.24 9.60 0.00 -1.26 -4.94 120.64 122.11 2jtd n GLU 13 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.84 2jtd n GLU 13 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.03 2jtd n GLU 13 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2jtd s HIS 14 N 0.15 2.21 -0.17 -1.84 -3.43 -1.26 -4.58 115.29 106.36 2jtd s HIS 14 Ca 0.00 -0.18 -0.14 0.00 -0.80 0.00 0.00 55.06 53.94 2jtd s HIS 14 Cb 0.00 -4.25 -0.22 0.00 -1.43 0.00 0.00 32.58 26.67 2jtd s HIS 14 CO 0.00 -1.45 0.26 1.17 -2.00 0.00 0.00 174.74 172.71 2jtd n LYS 15 N 8.39 0.66 0.05 -0.38 3.00 -1.26 -4.56 118.16 124.07 2jtd n LYS 15 Ca 0.45 0.41 -0.12 0.00 -0.00 0.00 0.00 58.31 59.05 2jtd n LYS 15 Cb 0.47 -1.72 -0.09 0.00 0.00 0.00 0.00 35.03 33.70 2jtd n LYS 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2jtd h PHE 16 N -0.46 -0.17 -3.30 5.64 3.57 -2.02 -3.42 116.94 116.78 2jtd h PHE 16 Ca -0.40 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.53 2jtd h PHE 16 Cb 1.68 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.43 2jtd h PHE 16 CO 0.08 0.28 0.98 -2.14 -2.23 0.00 0.00 178.31 175.28 2jtd s PRO 17 N -3.82 3.79 0.14 6.41 0.02 -1.26 -5.01 135.00 135.26 2jtd s PRO 17 Ca -0.14 1.01 -0.18 0.00 0.02 0.00 0.00 61.00 61.71 2jtd s PRO 17 Cb 0.01 -3.92 -0.07 0.00 0.02 0.00 0.00 34.50 30.54 2jtd s PRO 17 CO 0.55 -1.29 0.61 -0.08 -0.33 0.00 0.00 177.00 176.46 2jtd s THR 18 N 4.66 4.72 -0.27 0.99 -1.32 -1.26 -4.87 115.64 118.29 2jtd s THR 18 Ca 0.55 1.13 -0.25 0.00 -1.21 0.00 0.00 61.69 61.91 2jtd s THR 18 Cb -0.14 -3.85 0.09 0.00 -1.51 0.00 0.00 72.50 67.10 2jtd s THR 18 CO 0.27 0.37 0.85 0.54 -2.21 0.00 0.00 174.62 174.44 2jtd s VAL 19 N -1.32 0.00 0.18 5.08 0.11 -1.26 -5.06 120.40 118.12 2jtd s VAL 19 Ca 0.35 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 2jtd s VAL 19 Cb -0.18 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.80 2jtd s VAL 19 CO 0.20 0.00 1.64 -0.65 -3.33 0.00 0.00 175.10 172.96 2jtd h PRO 20 N 4.57 -0.06 0.00 1.54 0.11 -1.96 -3.42 132.00 132.78 2jtd h PRO 20 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jtd h PRO 20 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jtd h PRO 20 CO 0.09 -0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.09 2jtd n THR 21 N -5.37 0.00 0.51 -1.15 -2.24 -1.26 -5.02 114.28 99.76 2jtd n THR 21 Ca 0.03 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 2jtd n THR 21 Cb 0.27 -1.54 0.03 0.00 -2.10 0.00 0.00 70.33 66.99 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jtd n LYS 22 N 0.00 1.33 -3.37 -0.78 4.76 -1.26 -4.95 118.16 113.89 2jtd n LYS 22 Ca 0.00 -0.95 -0.44 0.00 -2.87 0.00 0.00 58.31 54.06 2jtd n LYS 22 Cb 0.00 -1.18 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtd s SER 23 N -1.25 6.15 0.06 4.39 0.15 -1.25 -4.37 113.70 117.58 2jtd s SER 23 Ca 0.12 -1.07 -0.24 0.00 0.70 0.00 0.00 55.95 55.46 2jtd s SER 23 Cb 0.10 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 62.27 2jtd s SER 23 CO 0.22 -0.61 0.56 -0.70 1.20 0.00 0.00 173.24 173.91 2jtd s GLU 24 N 1.83 1.10 -0.13 5.44 2.56 -1.26 -4.16 118.70 124.09 2jtd s GLU 24 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 54.97 54.66 2jtd s GLU 24 Cb -0.21 0.51 -0.05 0.00 2.00 0.00 0.00 34.13 36.38 2jtd s GLU 24 CO 0.09 -0.41 0.37 -1.17 -0.56 0.00 0.00 175.26 173.57 2jtd s LEU 25 N -2.06 4.28 -0.14 2.70 1.98 -1.26 -4.10 118.68 120.08 2jtd s LEU 25 Ca -0.04 0.67 0.02 0.00 -2.89 0.00 0.00 54.13 51.88 2jtd s LEU 25 Cb -0.01 -2.50 0.02 0.00 0.66 0.00 0.00 46.19 44.36 2jtd s LEU 25 CO -0.03 0.10 -0.18 0.00 -1.89 0.00 0.00 176.35 174.35 2jtd s ALA 26 N 0.31 2.06 -0.03 5.97 0.00 -1.05 -4.87 121.76 124.15 2jtd s ALA 26 Ca 0.21 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2jtd s ALA 26 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2jtd s ALA 26 CO 0.07 -0.18 -0.24 0.54 0.00 0.00 0.00 175.76 175.95 2jtd s VAL 27 N 1.10 1.93 -0.08 0.00 0.11 -1.26 -2.62 120.40 119.58 2jtd s VAL 27 Ca -0.02 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2jtd s VAL 27 Cb -0.14 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.10 2jtd s VAL 27 CO -0.06 0.54 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.38 2jtd s GLU 28 N -0.40 2.25 -0.35 1.54 2.12 0.26 -5.02 118.70 119.10 2jtd s GLU 28 Ca 0.04 -0.60 -0.13 0.00 0.36 0.00 0.00 54.97 54.64 2jtd s GLU 28 Cb -0.11 -1.79 -0.01 0.00 0.26 0.00 0.00 34.13 32.47 2jtd s GLU 28 CO 0.01 0.07 0.25 0.42 -0.54 0.00 0.00 175.26 175.46 2jtd s ILE 29 N 0.60 5.28 -0.50 -3.70 1.01 -1.26 -0.71 121.20 121.93 2jtd s ILE 29 Ca -0.15 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2jtd s ILE 29 Cb -0.16 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.67 2jtd s ILE 29 CO 0.05 -0.04 0.44 -0.76 0.00 0.00 0.00 174.94 174.63 2jtd s LEU 30 N 1.72 5.88 0.13 2.97 2.01 -0.90 -4.12 118.68 126.37 2jtd s LEU 30 Ca 0.06 -1.55 0.12 0.00 0.01 0.00 0.00 54.13 52.77 2jtd s LEU 30 Cb -0.18 -2.19 0.59 0.00 0.01 0.00 0.00 46.19 44.42 2jtd s LEU 30 CO 0.10 -0.74 1.37 -1.84 1.01 0.00 0.00 176.35 176.25 2jtd n GLU 31 N 5.22 0.07 -0.05 1.70 -0.00 -1.26 -1.67 120.64 124.64 2jtd n GLU 31 Ca -0.13 0.49 0.01 0.00 -0.00 0.00 0.00 57.16 57.53 2jtd n GLU 31 Cb 0.42 -1.69 0.04 0.00 -0.00 0.00 0.00 31.44 30.21 2jtd n GLU 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2jtd n LYS 32 N -1.83 1.22 0.00 3.44 2.85 -1.26 -4.84 118.16 117.74 2jtd n LYS 32 Ca 0.00 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 2jtd n LYS 32 Cb 0.07 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jtd n GLY 33 N 0.52 3.01 3.83 2.58 0.00 -0.67 -5.11 105.19 109.35 2jtd n GLY 33 Ca 0.03 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 3.94 -0.17 1.61 -1.52 -1.10 -3.12 119.66 119.31 2jtd s GLN 34 Ca 0.00 0.40 -0.04 0.00 -1.95 0.00 0.00 55.36 53.77 2jtd s GLN 34 Cb 0.00 -3.24 -0.03 0.00 -0.22 0.00 0.00 33.01 29.53 2jtd s GLN 34 CO 0.00 0.65 -0.02 0.54 -0.25 0.00 0.00 175.29 176.21 2jtd s VAL 35 N -0.95 3.98 -0.39 1.09 0.11 0.02 -2.11 120.40 122.14 2jtd s VAL 35 Ca 0.24 -0.32 -0.14 0.00 -2.93 0.00 0.00 61.98 58.82 2jtd s VAL 35 Cb -0.16 -2.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.95 2jtd s VAL 35 CO 0.13 0.48 0.27 -0.60 -3.33 0.00 0.00 175.10 172.05 2jtd s ARG 36 N 0.48 2.98 -0.16 1.54 3.52 0.12 -3.00 118.95 124.42 2jtd s ARG 36 Ca -0.02 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.58 2jtd s ARG 36 Cb -0.14 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.35 2jtd s ARG 36 CO 0.02 -0.71 -0.18 0.12 -0.81 0.00 0.00 175.30 173.75 2jtd s PHE 37 N 1.65 2.76 -0.09 5.12 2.19 -1.01 -0.58 117.98 128.02 2jtd s PHE 37 Ca 0.04 -1.28 -0.14 0.00 0.33 0.00 0.00 56.93 55.88 2jtd s PHE 37 Cb -0.19 -1.89 0.03 0.00 -1.31 0.00 0.00 43.02 39.66 2jtd s PHE 37 CO 0.09 -0.61 0.36 1.67 1.83 0.00 0.00 175.22 178.56 2jtd s TRP 38 N 1.00 -0.34 0.11 10.12 1.48 -1.08 0.31 118.94 130.55 2jtd s TRP 38 Ca -0.02 0.75 0.04 0.00 -1.06 0.00 0.00 56.10 55.81 2jtd s TRP 38 Cb -0.15 0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.26 2jtd s TRP 38 CO -0.04 -0.27 -0.10 0.00 -4.06 0.00 0.00 176.95 172.48 2jtd s MET 39 N -0.36 0.92 -0.00 3.25 0.23 0.40 -2.54 119.30 121.20 2jtd s MET 39 Ca -0.05 -1.27 0.02 0.00 -1.03 0.00 0.00 55.69 53.36 2jtd s MET 39 Cb -0.03 -0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 32.72 2jtd s MET 39 CO 0.02 0.07 -0.07 -1.14 -2.03 0.00 0.00 175.02 171.88 2jtd s GLN 40 N -3.17 0.52 0.13 3.16 0.74 -1.26 -2.38 119.66 117.39 2jtd s GLN 40 Ca 0.10 -0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.29 2jtd s GLN 40 Cb -0.01 -0.49 -0.04 0.00 1.10 0.00 0.00 33.01 33.58 2jtd s GLN 40 CO -0.00 0.13 -0.13 0.00 -0.55 0.00 0.00 175.29 174.74 2jtd s ALA 41 N -0.24 1.46 0.26 1.58 0.00 -0.92 -3.91 121.76 119.98 2jtd s ALA 41 Ca 0.02 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2jtd s ALA 41 Cb -0.03 -0.03 0.33 0.00 0.00 0.00 0.00 23.12 23.39 2jtd s ALA 41 CO -0.00 0.03 1.64 1.05 0.00 0.00 0.00 175.76 178.48 2jtd h GLU 42 N 3.30 0.37 -5.05 0.00 4.11 -1.85 -3.43 114.58 112.03 2jtd h GLU 42 Ca -0.39 -0.19 -0.54 0.00 0.07 0.00 0.00 59.36 58.32 2jtd h GLU 42 Cb 1.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.32 2jtd h GLU 42 CO 0.55 0.74 -0.53 0.15 0.07 0.00 0.00 179.01 179.99 2jtd s LYS 43 N -4.13 1.88 -0.03 1.06 -0.14 -1.26 -4.85 119.74 112.26 2jtd s LYS 43 Ca -0.06 -2.13 0.14 0.00 -1.36 0.00 0.00 55.97 52.56 2jtd s LYS 43 Cb 0.13 -0.59 -0.22 0.00 -1.68 0.00 0.00 37.83 35.47 2jtd s LYS 43 CO 0.80 -0.45 0.29 1.47 -0.76 0.00 0.00 175.35 176.70 2jtd n LEU 44 N -0.87 0.00 -4.18 3.17 -0.00 -1.19 -4.58 117.00 109.36 2jtd n LEU 44 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.61 2jtd n LEU 44 Cb 0.65 0.03 -0.14 0.00 -0.00 0.00 0.00 43.42 43.96 2jtd n LEU 44 CO 0.36 0.03 -0.37 -0.55 -0.00 0.00 0.00 177.39 176.86 2jtd s SER 45 N -3.75 4.74 0.00 1.45 0.15 -1.26 -4.83 113.70 110.20 2jtd s SER 45 Ca -0.05 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.43 2jtd s SER 45 Cb 0.09 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2jtd s SER 45 CO 0.59 -0.22 0.00 -1.54 1.20 0.00 0.00 173.24 173.27 2jtd n SER 46 N 4.63 0.00 0.00 5.45 3.41 -1.26 -4.99 113.62 120.86 2jtd n SER 46 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2jtd n SER 46 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.12 0.20 -4.56 4.04 3.02 -1.26 -5.06 115.26 111.52 2jtd n ASN 47 Ca 0.00 -1.03 -0.38 0.00 -0.03 0.00 0.00 54.58 53.13 2jtd n ASN 47 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jtd s ALA 48 N -0.03 2.13 -0.33 5.41 0.00 -1.22 -4.26 121.76 123.46 2jtd s ALA 48 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2jtd s ALA 48 Cb 0.00 -4.28 0.03 0.00 0.00 0.00 0.00 23.12 18.87 2jtd s ALA 48 CO 0.00 -3.88 0.10 0.15 0.00 0.00 0.00 175.76 172.14 2jtd s LYS 49 N 7.14 2.74 -0.45 0.00 -0.14 -1.19 -4.89 119.74 122.96 2jtd s LYS 49 Ca 0.75 -1.10 -0.12 0.00 -1.36 0.00 0.00 55.97 54.14 2jtd s LYS 49 Cb -0.15 -3.46 0.08 0.00 -1.68 0.00 0.00 37.83 32.63 2jtd s LYS 49 CO 0.23 -0.61 0.33 0.08 -0.76 0.00 0.00 175.35 174.62 2jtd s VAL 50 N 1.44 4.71 -0.45 3.17 1.01 -1.26 -0.69 120.40 128.33 2jtd s VAL 50 Ca -0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 2jtd s VAL 50 Cb -0.19 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2jtd s VAL 50 CO 0.03 -0.56 0.77 -0.44 0.00 0.00 0.00 175.10 174.89 2jtd s SER 51 N 2.42 6.40 -1.07 3.32 0.01 -0.37 -4.99 113.70 119.42 2jtd s SER 51 Ca 0.04 -0.16 -0.21 0.00 1.31 0.00 0.00 55.95 56.92 2jtd s SER 51 Cb -0.24 -2.38 0.07 0.00 0.21 0.00 0.00 66.02 63.68 2jtd s SER 51 CO 0.04 -0.91 1.47 -0.31 0.41 0.00 0.00 173.24 173.95 2jtd s TYR 52 N 3.24 2.67 -0.19 2.43 2.02 -1.26 -3.11 117.35 123.14 2jtd s TYR 52 Ca 0.29 -1.09 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 2jtd s TYR 52 Cb -0.12 -4.66 -0.02 0.00 -0.40 0.00 0.00 41.96 36.76 2jtd s TYR 52 CO 0.22 -1.85 -0.02 0.42 -1.57 0.00 0.00 175.55 172.75 2jtd s ILE 53 N 4.50 3.83 -0.21 2.71 -1.09 -1.11 -0.92 121.20 128.90 2jtd s ILE 53 Ca 0.46 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 2jtd s ILE 53 Cb 0.00 -2.72 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 2jtd s ILE 53 CO -0.06 0.44 -0.12 0.12 -1.23 0.00 0.00 174.94 174.09 2jtd s PHE 54 N 0.97 2.62 -1.36 3.97 5.36 0.15 -0.15 117.98 129.53 2jtd s PHE 54 Ca 0.01 -1.74 -0.04 0.00 -0.96 0.00 0.00 56.93 54.21 2jtd s PHE 54 Cb -0.14 -1.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 2jtd s PHE 54 CO 0.01 -0.78 0.78 -1.71 -1.46 0.00 0.00 175.22 172.07 2jtd n ASN 55 N 4.63 -2.17 0.00 6.13 4.05 0.86 -1.40 115.26 127.36 2jtd n ASN 55 Ca -0.15 -0.80 0.00 0.00 0.45 0.00 0.00 54.58 54.08 2jtd n ASN 55 Cb 0.46 -4.06 0.00 0.00 1.23 0.00 0.00 39.78 37.41 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 -4.39 -0.69 -4.97 1.20 1.02 -1.26 -4.99 120.64 106.56 2jtd n GLU 56 Ca -0.21 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 2jtd n GLU 56 Cb 0.64 -3.75 -0.14 0.00 -0.02 0.00 0.00 31.44 28.16 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 -0.77 2.01 -0.08 3.49 -0.14 -0.49 -5.08 119.74 118.68 2jtd s LYS 57 Ca 0.00 -0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 53.32 2jtd s LYS 57 Cb 0.00 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2jtd s LYS 57 CO 0.00 0.54 1.12 -1.21 -0.76 0.00 0.00 175.35 175.04 2jtd s GLU 58 N -1.05 4.38 0.24 1.68 2.02 -1.26 0.30 118.70 125.01 2jtd s GLU 58 Ca 0.12 1.55 0.08 0.00 0.02 0.00 0.00 54.97 56.74 2jtd s GLU 58 Cb -0.10 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2jtd s GLU 58 CO 0.02 -0.40 0.08 0.96 0.02 0.00 0.00 175.26 175.94 2jtd s ILE 59 N 2.15 3.91 0.15 -1.63 -4.36 -0.10 -4.93 121.20 116.39 2jtd s ILE 59 Ca 0.52 -1.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 2jtd s ILE 59 Cb -0.22 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.37 2jtd s ILE 59 CO 0.20 -0.32 -0.07 -0.36 0.24 0.00 0.00 174.94 174.63 2jtd s PHE 60 N -2.15 1.23 0.15 1.37 0.08 -1.26 -4.80 117.98 112.59 2jtd s PHE 60 Ca 0.31 -0.84 -0.34 0.00 0.12 0.00 0.00 56.93 56.19 2jtd s PHE 60 Cb -0.07 -0.66 -0.14 0.00 -0.57 0.00 0.00 43.02 41.58 2jtd s PHE 60 CO 0.22 -0.01 1.60 -1.91 -0.10 0.00 0.00 175.22 175.02 2jtd n GLU 61 N -0.20 2.19 0.00 0.44 2.13 -1.26 -4.83 120.64 119.10 2jtd n GLU 61 Ca -0.10 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2jtd n GLU 61 Cb 0.61 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 3.50 2.11 0.20 8.31 0.00 -1.00 -4.99 105.19 113.33 2jtd n GLY 62 Ca 0.17 0.25 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.44 -0.62 1.61 0.11 -2.05 -3.34 132.00 127.27 2jtd h PRO 63 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2jtd h PRO 63 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2jtd h PRO 63 CO 0.00 -0.29 0.00 0.36 -0.21 0.00 0.00 178.00 177.86 2jtd n LYS 64 N -4.25 2.75 -4.60 1.05 2.85 -1.26 -4.92 118.16 109.77 2jtd n LYS 64 Ca -0.06 -2.49 -0.33 0.00 -1.05 0.00 0.00 58.31 54.38 2jtd n LYS 64 Cb 0.18 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 32.94 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 -1.02 2.91 -0.09 5.58 2.02 -1.25 -4.36 117.35 121.13 2jtd s TYR 65 Ca 0.42 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 2jtd s TYR 65 Cb 0.22 -1.90 0.05 0.00 -0.40 0.00 0.00 41.96 39.93 2jtd s TYR 65 CO 0.29 -0.12 0.11 0.21 -1.57 0.00 0.00 175.55 174.47 2jtd s LYS 66 N 0.34 0.01 0.25 -0.62 2.47 -1.25 -2.37 119.74 118.57 2jtd s LYS 66 Ca -0.08 0.34 0.09 0.00 -1.56 0.00 0.00 55.97 54.76 2jtd s LYS 66 Cb -0.15 -0.74 -0.04 0.00 -1.46 0.00 0.00 37.83 35.44 2jtd s LYS 66 CO 0.04 -0.41 0.04 -1.64 0.16 0.00 0.00 175.35 173.54 2jtd s MET 67 N 2.22 2.46 -0.20 4.03 -1.94 -1.26 -1.70 119.30 122.90 2jtd s MET 67 Ca 0.04 -1.30 -0.04 0.00 -1.71 0.00 0.00 55.69 52.68 2jtd s MET 67 Cb -0.13 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 2jtd s MET 67 CO -0.06 0.38 -0.03 -1.01 -0.01 0.00 0.00 175.02 174.30 2jtd s HIS 68 N -2.22 2.98 -0.51 -0.03 3.76 0.51 -4.97 115.29 114.81 2jtd s HIS 68 Ca 0.31 -0.67 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2jtd s HIS 68 Cb -0.07 -2.07 0.13 0.00 1.11 0.00 0.00 32.58 31.68 2jtd s HIS 68 CO 0.21 -0.36 0.32 -1.50 -0.85 0.00 0.00 174.74 172.56 2jtd s ILE 69 N 1.14 3.53 -0.09 0.60 2.07 -1.26 -4.10 121.20 123.08 2jtd s ILE 69 Ca 0.02 -2.48 -0.14 0.00 -1.41 0.00 0.00 60.65 56.65 2jtd s ILE 69 Cb -0.15 -3.36 -0.05 0.00 0.13 0.00 0.00 42.46 39.04 2jtd s ILE 69 CO 0.00 -0.78 0.33 -0.62 -1.91 0.00 0.00 174.94 171.96 2jtd s ASP 70 N 1.32 6.59 0.00 4.50 2.15 -1.22 -4.95 116.67 125.06 2jtd s ASP 70 Ca 0.12 0.69 0.09 0.00 0.43 0.00 0.00 52.55 53.89 2jtd s ASP 70 Cb -0.22 -2.20 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2jtd s ASP 70 CO -0.04 0.22 0.61 0.54 -0.17 0.00 0.00 175.17 176.33 2jtd n ARG 71 N 2.72 1.95 -0.07 4.34 3.00 -1.26 -4.36 116.66 122.97 2jtd n ARG 71 Ca -0.13 -0.62 -0.12 0.00 -0.01 0.00 0.00 57.85 56.97 2jtd n ARG 71 Cb 0.52 -1.06 -0.10 0.00 0.00 0.00 0.00 32.46 31.83 2jtd n ARG 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jtd h ASN 72 N 1.07 0.00 0.00 0.55 2.35 -1.97 -3.44 115.58 114.14 2jtd h ASN 72 Ca 0.00 -0.68 -0.09 0.00 -0.55 0.00 0.00 56.30 54.98 2jtd h ASN 72 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2jtd h ASN 72 CO 0.00 0.95 -0.98 0.41 -1.65 0.00 0.00 177.43 176.15 2jtd n THR 73 N -4.62 1.18 0.00 2.81 -1.04 -1.26 -4.94 114.28 106.40 2jtd n THR 73 Ca -0.11 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jtd n THR 73 Cb 0.39 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 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 2.29 0.59 3.52 3.41 0.00 -1.26 -3.18 105.19 110.55 2jtd n GLY 74 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.17 3.62 -0.21 -0.61 -1.09 -1.26 -2.15 121.20 118.33 2jtd s ILE 75 Ca 0.00 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.90 2jtd s ILE 75 Cb 0.00 -2.51 0.06 0.00 -1.58 0.00 0.00 42.46 38.43 2jtd s ILE 75 CO 0.00 0.56 0.05 -0.63 -1.23 0.00 0.00 174.94 173.69 2jtd s ILE 76 N -0.31 0.49 0.16 2.92 1.01 -1.00 -3.43 121.20 121.04 2jtd s ILE 76 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.15 2jtd s ILE 76 Cb -0.13 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2jtd s ILE 76 CO 0.02 -0.27 -0.00 -1.61 0.00 0.00 0.00 174.94 173.08 2jtd s GLU 77 N 1.86 2.42 -0.04 2.79 8.01 -1.26 -0.46 118.70 132.03 2jtd s GLU 77 Ca 0.00 -1.07 -0.01 0.00 0.01 0.00 0.00 54.97 53.90 2jtd s GLU 77 Cb -0.17 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.30 2jtd s GLU 77 CO -0.10 0.47 0.04 1.41 0.01 0.00 0.00 175.26 177.08 2jtd s MET 78 N -2.86 0.07 -0.28 1.61 1.75 0.15 -0.36 119.30 119.37 2jtd s MET 78 Ca 0.27 0.25 -0.05 0.00 -1.25 0.00 0.00 55.69 54.91 2jtd s MET 78 Cb -0.10 -0.48 0.02 0.00 2.84 0.00 0.00 34.83 37.11 2jtd s MET 78 CO 0.18 -0.25 0.04 0.12 -0.65 0.00 0.00 175.02 174.46 2jtd s PHE 79 N 1.64 3.13 0.39 4.11 5.36 -0.69 -2.41 117.98 129.52 2jtd s PHE 79 Ca -0.02 -1.20 0.04 0.00 -0.96 0.00 0.00 56.93 54.80 2jtd s PHE 79 Cb -0.13 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2jtd s PHE 79 CO -0.03 -0.63 0.15 -1.64 -1.46 0.00 0.00 175.22 171.61 2jtd s MET 80 N 1.44 1.88 0.00 10.12 -1.94 -1.16 -3.80 119.30 125.84 2jtd s MET 80 Ca 0.01 -2.14 0.00 0.00 -1.71 0.00 0.00 55.69 51.86 2jtd s MET 80 Cb -0.17 -0.44 0.00 0.00 2.01 0.00 0.00 34.83 36.23 2jtd s MET 80 CO 0.00 -0.50 0.00 -0.85 -0.01 0.00 0.00 175.02 173.66 2jtd n GLU 81 N -0.85 0.00 -3.12 2.03 0.28 -1.26 -0.80 120.64 116.93 2jtd n GLU 81 Ca -0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 2jtd n GLU 81 Cb 0.65 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.48 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 -1.85 3.76 0.00 3.44 0.00 -1.18 -4.89 119.74 119.02 2jtd s LYS 82 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.28 2jtd s LYS 82 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.32 2jtd s LYS 82 CO 0.00 0.11 0.00 -0.11 0.00 0.00 0.00 175.35 175.35 2jtd n LEU 83 N -0.93 0.00 -3.83 2.77 -0.00 -1.26 -5.11 117.00 108.64 2jtd n LEU 83 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.95 2jtd n LEU 83 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 2jtd n LEU 83 CO 0.47 -0.17 0.59 -1.58 -0.00 0.00 0.00 177.39 176.70 2jtd s GLN 84 N -0.34 1.89 0.25 1.96 2.00 -1.26 -5.02 119.66 119.14 2jtd s GLN 84 Ca 0.00 -1.18 0.16 0.00 -2.00 0.00 0.00 55.36 52.35 2jtd s GLN 84 Cb 0.00 0.55 0.89 0.00 0.80 0.00 0.00 33.01 35.25 2jtd s GLN 84 CO 0.00 -0.88 1.49 -0.25 -0.50 0.00 0.00 175.29 175.15 2jtd n ASP 85 N -1.13 0.43 -0.03 6.67 9.92 -1.26 -0.78 116.55 130.36 2jtd n ASP 85 Ca -0.06 0.69 -0.16 0.00 -0.53 0.00 0.00 54.79 54.72 2jtd n ASP 85 Cb 0.60 -0.74 -0.05 0.00 -0.64 0.00 0.00 41.12 40.29 2jtd n ASP 85 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2jtd h GLU 86 N 0.00 0.79 0.00 -1.24 4.11 -2.00 -3.34 114.58 112.90 2jtd h GLU 86 Ca 0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.36 58.83 2jtd h GLU 86 Cb 0.05 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jtd h GLU 86 CO 0.00 1.22 -1.05 -0.25 0.07 0.00 0.00 179.01 179.00 2jtd n ASP 87 N -3.95 1.30 -4.56 3.06 8.00 -0.47 -4.85 116.55 115.08 2jtd n ASP 87 Ca -0.06 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.61 2jtd n ASP 87 Cb 0.71 1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 43.05 2jtd n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jtd s GLU 88 N -2.50 3.27 0.00 -1.24 8.01 0.04 -4.88 118.70 121.40 2jtd s GLU 88 Ca 0.00 0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.06 2jtd s GLU 88 Cb 0.09 -4.14 0.00 0.00 -4.31 0.00 0.00 34.13 25.77 2jtd s GLU 88 CO 0.51 -2.01 0.00 0.41 0.01 0.00 0.00 175.26 174.18 2jtd n GLY 89 N 5.29 3.56 3.49 -1.39 0.00 -1.00 -4.67 105.19 110.46 2jtd n GLY 89 Ca 0.07 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.53 4.87 0.13 2.61 2.01 -1.26 -1.31 115.64 121.15 2jtd s THR 90 Ca 0.00 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 2jtd s THR 90 Cb 0.00 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 2jtd s THR 90 CO 0.00 -0.67 0.68 -0.31 -0.69 0.00 0.00 174.62 173.64 2jtd s TYR 91 N 2.69 3.86 -0.24 4.92 2.02 0.13 -0.10 117.35 130.63 2jtd s TYR 91 Ca 0.19 1.47 -0.03 0.00 -0.37 0.00 0.00 57.07 58.32 2jtd s TYR 91 Cb -0.16 -2.65 0.10 0.00 -0.40 0.00 0.00 41.96 38.85 2jtd s TYR 91 CO 0.16 0.54 0.19 0.99 -1.57 0.00 0.00 175.55 175.86 2jtd s THR 92 N -1.15 -0.23 -0.29 -0.71 2.01 0.79 -0.46 115.64 115.60 2jtd s THR 92 Ca 0.33 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 2jtd s THR 92 Cb -0.21 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 2jtd s THR 92 CO 0.23 -0.42 0.10 -0.36 -0.69 0.00 0.00 174.62 173.47 2jtd s PHE 93 N 2.24 3.14 -0.15 4.92 0.40 -0.37 -2.75 117.98 125.41 2jtd s PHE 93 Ca 0.07 -0.72 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2jtd s PHE 93 Cb -0.15 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 2jtd s PHE 93 CO -0.23 -0.49 -0.13 -1.14 0.70 0.00 0.00 175.22 173.93 2jtd s GLN 94 N 1.56 3.32 -0.18 0.44 0.74 -1.18 -0.91 119.66 123.45 2jtd s GLN 94 Ca 0.04 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.73 2jtd s GLN 94 Cb -0.17 -2.67 -0.00 0.00 1.10 0.00 0.00 33.01 31.27 2jtd s GLN 94 CO 0.04 0.09 -0.10 0.42 -0.55 0.00 0.00 175.29 175.19 2jtd s ILE 95 N 0.65 2.99 0.12 -2.34 1.09 0.14 -1.23 121.20 122.63 2jtd s ILE 95 Ca -0.07 -0.64 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 2jtd s ILE 95 Cb -0.15 -2.31 -0.06 0.00 -1.06 0.00 0.00 42.46 38.87 2jtd s ILE 95 CO 0.02 0.48 1.08 -1.58 -0.10 0.00 0.00 174.94 174.85 2jtd s GLN 96 N 1.07 4.58 0.00 2.79 0.74 0.14 -1.30 119.66 127.68 2jtd s GLN 96 Ca 0.00 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.06 2jtd s GLN 96 Cb -0.15 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.64 2jtd s GLN 96 CO -0.02 0.02 0.00 -3.47 -0.55 0.00 0.00 175.29 171.27 2jtd n ASP 97 N 2.91 0.00 0.00 6.67 2.03 -1.24 -3.19 116.55 123.72 2jtd n ASP 97 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jtd n ASP 97 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 1.68 2.68 0.09 0.27 0.00 -1.26 -4.82 105.19 103.83 2jtd n GLY 98 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 2jtd n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtd h LYS 99 N 0.00 0.00 -4.28 1.61 1.79 -1.99 -3.46 116.57 110.24 2jtd h LYS 99 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2jtd h LYS 99 Cb 0.00 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.52 2jtd h LYS 99 CO 0.00 0.83 -0.45 0.00 -1.08 0.00 0.00 179.45 178.75 2jtd s ALA 100 N -2.96 0.71 -0.19 3.86 0.00 -1.26 -4.92 121.76 117.01 2jtd s ALA 100 Ca 0.01 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 2jtd s ALA 100 Cb 0.10 1.29 0.05 0.00 0.00 0.00 0.00 23.12 24.55 2jtd s ALA 100 CO 0.79 -0.68 -0.06 0.99 0.00 0.00 0.00 175.76 176.81 2jtd s THR 101 N -4.11 1.25 0.05 0.00 2.01 -1.26 -3.68 115.64 109.90 2jtd s THR 101 Ca 0.34 -0.81 -0.32 0.00 0.31 0.00 0.00 61.69 61.21 2jtd s THR 101 Cb 0.04 -1.45 -0.11 0.00 0.01 0.00 0.00 72.50 71.00 2jtd s THR 101 CO 0.11 0.07 1.88 0.61 -0.69 0.00 0.00 174.62 176.60 2jtd n GLY 102 N 4.81 1.66 2.86 4.40 0.00 -0.42 -4.83 105.19 113.66 2jtd n GLY 102 Ca -0.12 0.78 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 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 3.48 0.35 -0.31 1.61 -3.43 -1.26 0.29 115.29 116.02 2jtd s HIS 103 Ca 0.86 -0.03 -0.02 0.00 -0.80 0.00 0.00 55.06 55.07 2jtd s HIS 103 Cb -0.53 -0.36 0.11 0.00 -1.43 0.00 0.00 32.58 30.36 2jtd s HIS 103 CO 0.42 -0.10 0.13 0.45 -2.00 0.00 0.00 174.74 173.64 2jtd s SER 104 N 0.67 3.70 -0.32 7.38 0.15 -0.09 -4.57 113.70 120.63 2jtd s SER 104 Ca -0.07 -1.58 -0.13 0.00 0.70 0.00 0.00 55.95 54.86 2jtd s SER 104 Cb -0.10 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.58 2jtd s SER 104 CO -0.01 -0.41 0.28 -0.89 1.20 0.00 0.00 173.24 173.41 2jtd s THR 105 N 1.72 5.24 -0.20 6.45 2.01 -1.26 -1.23 115.64 128.37 2jtd s THR 105 Ca 0.11 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 2jtd s THR 105 Cb -0.18 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.70 2jtd s THR 105 CO -0.27 0.05 0.08 -0.22 -0.69 0.00 0.00 174.62 173.58 2jtd s LEU 106 N 1.87 0.60 -0.25 4.42 1.98 0.39 -4.98 118.68 122.71 2jtd s LEU 106 Ca 0.09 -0.78 -0.05 0.00 -2.89 0.00 0.00 54.13 50.50 2jtd s LEU 106 Cb -0.17 -0.35 -0.01 0.00 0.66 0.00 0.00 46.19 46.33 2jtd s LEU 106 CO 0.11 -0.36 0.02 0.54 -1.89 0.00 0.00 176.35 174.77 2jtd s VAL 107 N 2.06 3.73 -0.36 1.68 0.11 -1.26 0.20 120.40 126.57 2jtd s VAL 107 Ca 0.03 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2jtd s VAL 107 Cb -0.16 -2.80 0.09 0.00 -1.53 0.00 0.00 36.38 31.98 2jtd s VAL 107 CO -0.13 0.28 0.10 -0.76 -3.33 0.00 0.00 175.10 171.26 2jtd s LEU 108 N 1.50 4.68 -0.12 2.54 1.43 -0.43 -4.49 118.68 123.80 2jtd s LEU 108 Ca 0.04 -1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 51.27 2jtd s LEU 108 Cb -0.16 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2jtd s LEU 108 CO -0.00 -0.41 0.28 -0.63 0.23 0.00 0.00 176.35 175.81 2jtd s ILE 109 N 1.12 -0.14 0.00 -0.59 1.01 -1.26 -2.37 121.20 118.97 2jtd s ILE 109 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2jtd s ILE 109 Cb -0.21 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2jtd s ILE 109 CO -0.04 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2jtd n GLY 110 N 4.52 3.17 0.20 6.18 0.00 -1.26 -0.69 105.19 117.31 2jtd n GLY 110 Ca -0.20 0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2jtd n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jtd h ASP 111 N 0.00 0.00 -0.62 1.61 5.19 -2.01 -3.27 116.42 117.32 2jtd h ASP 111 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2jtd h ASP 111 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2jtd h ASP 111 CO 0.00 0.29 0.24 0.58 -3.12 0.00 0.00 179.24 177.23 2jtd h VAL 112 N 0.00 1.23 -0.07 -1.35 2.07 -1.30 -2.18 116.25 114.66 2jtd h VAL 112 Ca -0.00 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 2jtd h VAL 112 Cb 0.95 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jtd h VAL 112 CO 0.04 0.29 -0.19 0.10 0.02 0.00 0.00 177.57 177.82 2jtd h TYR 113 N 0.87 0.11 0.00 1.57 -0.00 -1.55 -2.15 116.97 115.82 2jtd h TYR 113 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.92 2jtd h TYR 113 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 36.91 2jtd h TYR 113 CO 0.01 0.30 -0.66 0.36 -0.00 0.00 0.00 178.16 178.17 2jtd n LYS 114 N -4.26 0.13 -0.08 0.10 2.85 -1.08 -3.16 118.16 112.66 2jtd n LYS 114 Ca -0.02 0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jtd n LYS 114 Cb 0.28 -1.57 -0.02 0.00 -0.65 0.00 0.00 35.03 33.08 2jtd n LYS 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2jtd h LYS 115 N 0.00 0.40 -0.10 -1.58 3.64 -0.74 -1.22 116.57 116.97 2jtd h LYS 115 Ca 0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 2jtd h LYS 115 Cb 0.61 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jtd h LYS 115 CO 0.00 0.31 -0.53 -0.07 -2.27 0.00 0.00 179.45 176.90 2jtd h LEU 116 N 0.37 0.30 -1.47 5.20 4.07 -1.65 -3.19 115.31 118.94 2jtd h LEU 116 Ca 0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 2jtd h LEU 116 Cb 0.02 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 2jtd h LEU 116 CO -0.02 0.77 0.26 1.56 -1.08 0.00 0.00 178.44 179.94 2jtd h GLN 117 N 0.21 0.62 -0.63 1.13 4.20 -1.34 -1.74 115.11 117.56 2jtd h GLN 117 Ca 0.01 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.79 2jtd h GLN 117 Cb 1.00 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.55 2jtd h GLN 117 CO 0.08 0.45 0.13 0.87 -0.67 0.00 0.00 178.83 179.69 2jtd h LYS 118 N 0.63 0.25 0.00 1.46 1.57 -1.23 -2.50 116.57 116.75 2jtd h LYS 118 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jtd h LYS 118 Cb -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2jtd h LYS 118 CO -0.03 0.16 -0.55 0.39 -0.57 0.00 0.00 179.45 178.85 2jtd n GLU 119 N -5.14 0.02 0.00 3.15 -0.58 -0.79 -4.46 120.64 112.83 2jtd n GLU 119 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2jtd n GLU 119 Cb 0.35 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jtd n ALA 120 N -1.52 0.00 -3.11 0.62 0.00 -0.72 -4.75 120.51 111.03 2jtd n ALA 120 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2jtd n ALA 120 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jtd n GLU 121 N -0.48 0.77 0.00 0.00 0.00 -1.26 -4.99 120.64 114.68 2jtd n GLU 121 Ca 0.00 -2.98 0.08 0.00 0.00 0.00 0.00 57.16 54.26 2jtd n GLU 121 Cb 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 31.44 30.19 2jtd n GLU 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47