#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 2.69 -0.34 5.31 2.02 -1.26 -5.05 118.70 122.07 2jtd s GLU 2 Ca 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.69 2jtd s GLU 2 Cb 0.00 -3.76 0.10 0.00 0.10 0.00 0.00 34.13 30.56 2jtd s GLU 2 CO 0.00 -0.87 0.06 -1.21 0.02 0.00 0.00 175.26 173.26 2jtd s GLU 3 N 1.47 1.60 0.49 1.61 0.41 -1.26 -4.89 118.70 118.13 2jtd s GLU 3 Ca 0.02 -1.84 0.30 0.00 -0.41 0.00 0.00 54.97 53.05 2jtd s GLU 3 Cb -0.22 -3.24 1.11 0.00 -1.78 0.00 0.00 34.13 30.01 2jtd s GLU 3 CO 0.04 -0.93 1.88 1.98 -0.49 0.00 0.00 175.26 177.73 2jtd h MET 4 N 7.68 0.00 0.00 1.61 1.85 -2.00 -3.09 114.93 120.98 2jtd h MET 4 Ca -0.06 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2jtd h MET 4 Cb 1.02 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.05 2jtd h MET 4 CO 0.54 0.00 -0.01 -0.22 -0.40 0.00 0.00 176.91 176.82 2jtd h LYS 5 N 0.00 0.00 -0.00 0.39 3.64 -2.02 -1.49 116.57 117.10 2jtd h LYS 5 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2jtd h LYS 5 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2jtd h LYS 5 CO 0.00 0.01 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.06 2jtd h ARG 6 N 0.00 0.03 -0.23 1.90 2.43 -1.96 -3.32 114.38 113.23 2jtd h ARG 6 Ca -0.00 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2jtd h ARG 6 Cb 0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2jtd h ARG 6 CO 0.00 0.78 0.25 -0.07 -1.51 0.00 0.00 179.97 179.42 2jtd h LEU 7 N -0.72 0.00 -0.54 3.80 4.07 -1.41 0.32 115.31 120.83 2jtd h LEU 7 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 2jtd h LEU 7 Cb 0.80 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.47 2jtd h LEU 7 CO 0.01 0.00 0.19 -0.07 -1.08 0.00 0.00 178.44 177.48 2jtd h LEU 8 N 0.00 0.17 0.09 1.67 3.38 -1.44 -3.16 115.31 116.03 2jtd h LEU 8 Ca 0.11 0.07 -0.37 0.00 0.09 0.00 0.00 57.88 57.78 2jtd h LEU 8 Cb 0.60 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2jtd h LEU 8 CO -0.00 0.12 -2.08 0.00 0.09 0.00 0.00 178.44 176.57 2jtd n ALA 9 N -2.45 1.03 -1.62 1.53 0.00 -0.12 -4.93 120.51 113.96 2jtd n ALA 9 Ca 0.07 -0.71 -0.50 0.00 0.00 0.00 0.00 53.44 52.30 2jtd n ALA 9 Cb 0.23 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2jtd n ALA 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jtd n LEU 10 N -3.40 2.93 -4.16 0.00 7.94 0.94 -4.69 117.00 116.56 2jtd n LEU 10 Ca -0.34 0.77 -0.15 0.00 -1.11 0.00 0.00 56.01 55.18 2jtd n LEU 10 Cb 1.04 -1.32 -0.11 0.00 0.53 0.00 0.00 43.42 43.55 2jtd n LEU 10 CO 0.40 -0.34 -0.43 -0.44 -1.11 0.00 0.00 177.39 175.47 2jtd s SER 11 N 5.25 1.43 0.81 1.96 0.01 -1.26 -4.78 113.70 117.11 2jtd s SER 11 Ca 0.99 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 57.42 2jtd s SER 11 Cb -0.76 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 65.54 2jtd s SER 11 CO 0.52 -0.19 1.12 -1.10 0.41 0.00 0.00 173.24 174.00 2jtd s GLN 12 N -2.25 2.02 0.17 12.44 -1.52 -1.26 -5.01 119.66 124.25 2jtd s GLN 12 Ca 0.01 0.43 -0.22 0.00 -1.95 0.00 0.00 55.36 53.63 2jtd s GLN 12 Cb -0.06 -1.93 -0.08 0.00 -0.22 0.00 0.00 33.01 30.72 2jtd s GLN 12 CO 0.01 -1.62 0.72 -1.83 -0.25 0.00 0.00 175.29 172.32 2jtd s GLU 13 N -5.30 4.38 -0.22 2.91 -1.05 -1.26 -5.06 118.70 113.10 2jtd s GLU 13 Ca 0.61 0.97 -0.15 0.00 -0.15 0.00 0.00 54.97 56.25 2jtd s GLU 13 Cb -0.13 -3.11 0.06 0.00 -0.44 0.00 0.00 34.13 30.52 2jtd s GLU 13 CO 0.53 0.51 0.55 -3.38 0.95 0.00 0.00 175.26 174.42 2jtd s HIS 14 N -1.29 -0.75 -0.33 4.83 -3.43 -1.26 -5.13 115.29 107.93 2jtd s HIS 14 Ca 0.37 1.62 -0.29 0.00 -0.80 0.00 0.00 55.06 55.97 2jtd s HIS 14 Cb -0.20 0.36 0.02 0.00 -1.43 0.00 0.00 32.58 31.33 2jtd s HIS 14 CO 0.23 -0.38 1.08 0.15 -2.00 0.00 0.00 174.74 173.81 2jtd s LYS 15 N 1.06 4.04 -0.15 -0.38 3.01 -1.26 -4.92 119.74 121.14 2jtd s LYS 15 Ca -0.06 1.03 -0.19 0.00 -1.01 0.00 0.00 55.97 55.73 2jtd s LYS 15 Cb -0.06 -3.75 -0.17 0.00 -1.01 0.00 0.00 37.83 32.84 2jtd s LYS 15 CO -0.10 -0.94 0.38 0.35 0.51 0.00 0.00 175.35 175.55 2jtd h PHE 16 N 8.18 0.00 -2.70 3.18 3.57 -2.00 -3.48 116.94 123.69 2jtd h PHE 16 Ca -0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2jtd h PHE 16 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2jtd h PHE 16 CO 0.84 0.83 0.00 -0.35 -2.23 0.00 0.00 178.31 177.40 2jtd n PRO 17 N -4.60 2.95 -3.87 6.41 -0.04 -1.26 -5.09 135.00 129.50 2jtd n PRO 17 Ca -0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.98 2jtd n PRO 17 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 2jtd n PRO 17 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jtd s THR 18 N 1.94 2.99 -0.05 0.52 2.01 -1.26 -5.08 115.64 116.70 2jtd s THR 18 Ca 0.00 -1.82 0.04 0.00 0.31 0.00 0.00 61.69 60.22 2jtd s THR 18 Cb 0.00 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2jtd s THR 18 CO 0.00 -0.42 -0.16 0.54 -0.69 0.00 0.00 174.62 173.88 2jtd s VAL 19 N 1.15 1.41 0.17 3.82 0.11 -1.26 -5.05 120.40 120.76 2jtd s VAL 19 Ca 0.03 -0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 58.29 2jtd s VAL 19 Cb -0.21 -1.23 0.07 0.00 -1.53 0.00 0.00 36.38 33.48 2jtd s VAL 19 CO -0.03 0.41 1.68 -0.65 -3.33 0.00 0.00 175.10 173.17 2jtd h PRO 20 N 6.49 0.97 0.00 1.54 0.11 -1.98 -3.45 132.00 135.68 2jtd h PRO 20 Ca -0.31 -0.24 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 2jtd h PRO 20 Cb 1.18 -0.12 0.04 0.00 0.11 0.00 0.00 31.00 32.21 2jtd h PRO 20 CO 0.48 0.90 0.08 0.25 -0.21 0.00 0.00 178.00 179.49 2jtd n THR 21 N -4.33 0.00 -0.90 -1.15 -2.24 -1.26 -5.00 114.28 99.39 2jtd n THR 21 Ca 0.03 -0.35 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 2jtd n THR 21 Cb 0.25 -1.57 0.28 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.66 3.27 -3.28 -0.78 5.02 -1.26 -4.86 118.16 114.61 2jtd n LYS 22 Ca 0.05 -2.84 -0.45 0.00 -2.02 0.00 0.00 58.31 53.04 2jtd n LYS 22 Cb 0.16 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jtd s SER 23 N -1.64 6.18 -0.01 4.39 0.15 -1.25 -3.85 113.70 117.67 2jtd s SER 23 Ca 0.43 -1.61 0.04 0.00 0.70 0.00 0.00 55.95 55.51 2jtd s SER 23 Cb 0.34 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 2jtd s SER 23 CO 0.11 -0.88 -0.13 -0.70 1.20 0.00 0.00 173.24 172.84 2jtd s GLU 24 N 1.87 1.06 -0.39 5.44 2.12 -0.67 -4.79 118.70 123.35 2jtd s GLU 24 Ca 0.05 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 54.79 2jtd s GLU 24 Cb -0.27 -1.03 0.04 0.00 0.26 0.00 0.00 34.13 33.12 2jtd s GLU 24 CO 0.05 0.28 0.23 -1.17 -0.54 0.00 0.00 175.26 174.10 2jtd s LEU 25 N -0.35 4.85 -0.19 2.70 1.98 -1.26 -1.25 118.68 125.16 2jtd s LEU 25 Ca 0.05 -1.10 -0.03 0.00 -2.89 0.00 0.00 54.13 50.16 2jtd s LEU 25 Cb -0.05 -2.03 -0.01 0.00 0.66 0.00 0.00 46.19 44.76 2jtd s LEU 25 CO -0.00 -0.43 -0.07 0.00 -1.89 0.00 0.00 176.35 173.95 2jtd s ALA 26 N 1.54 2.75 -0.15 5.97 0.00 -0.87 -5.04 121.76 125.95 2jtd s ALA 26 Ca 0.02 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2jtd s ALA 26 Cb -0.20 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2jtd s ALA 26 CO 0.06 -0.22 -0.21 0.54 0.00 0.00 0.00 175.76 175.93 2jtd s VAL 27 N 1.12 2.12 -0.18 0.00 0.11 -1.26 -2.33 120.40 119.98 2jtd s VAL 27 Ca 0.01 -0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 58.08 2jtd s VAL 27 Cb -0.15 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 2jtd s VAL 27 CO -0.01 0.54 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.55 2jtd s GLU 28 N 0.92 3.54 -0.28 1.54 2.56 0.14 -5.03 118.70 122.08 2jtd s GLU 28 Ca -0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 54.97 54.23 2jtd s GLU 28 Cb -0.15 -2.93 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 2jtd s GLU 28 CO -0.04 0.07 0.26 0.42 -0.56 0.00 0.00 175.26 175.41 2jtd s ILE 29 N 0.79 5.26 -0.22 -3.70 1.09 -1.26 -1.61 121.20 121.55 2jtd s ILE 29 Ca -0.02 0.28 -0.05 0.00 -1.10 0.00 0.00 60.65 59.76 2jtd s ILE 29 Cb -0.15 -3.61 -0.02 0.00 -1.06 0.00 0.00 42.46 37.63 2jtd s ILE 29 CO 0.02 0.19 0.00 -0.76 -0.10 0.00 0.00 174.94 174.29 2jtd s LEU 30 N 1.87 3.18 0.44 2.97 1.43 -1.19 -4.61 118.68 122.78 2jtd s LEU 30 Ca 0.10 -0.27 0.31 0.00 -1.03 0.00 0.00 54.13 53.23 2jtd s LEU 30 Cb -0.16 -1.82 1.43 0.00 0.03 0.00 0.00 46.19 45.67 2jtd s LEU 30 CO 0.11 0.01 1.92 -0.08 0.23 0.00 0.00 176.35 178.53 2jtd h GLU 31 N 7.92 0.00 0.00 1.70 4.81 -1.89 -2.75 114.58 124.37 2jtd h GLU 31 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2jtd h GLU 31 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2jtd h GLU 31 CO 0.60 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 179.75 2jtd h LYS 32 N 0.00 0.00 0.00 1.92 6.56 -2.01 -3.45 116.57 119.60 2jtd h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jtd h LYS 32 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2jtd h LYS 32 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2jtd n GLY 33 N -0.45 0.94 3.33 3.86 0.00 -1.04 -5.13 105.19 106.71 2jtd n GLY 33 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.11 0.49 -0.19 1.61 2.00 -1.22 -4.86 119.66 117.61 2jtd s GLN 34 Ca 0.00 0.68 -0.09 0.00 -2.00 0.00 0.00 55.36 53.95 2jtd s GLN 34 Cb 0.00 0.17 -0.05 0.00 0.80 0.00 0.00 33.01 33.94 2jtd s GLN 34 CO 0.00 -0.09 0.11 0.54 -0.50 0.00 0.00 175.29 175.35 2jtd s VAL 35 N 0.60 5.27 -0.39 1.34 0.11 -1.16 -3.15 120.40 123.01 2jtd s VAL 35 Ca -0.03 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2jtd s VAL 35 Cb -0.05 -3.38 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 2jtd s VAL 35 CO -0.04 0.47 0.25 -0.60 -3.33 0.00 0.00 175.10 171.85 2jtd s ARG 36 N 0.19 2.87 -0.05 1.54 6.06 -0.63 -4.28 118.95 124.65 2jtd s ARG 36 Ca 0.08 -1.08 0.01 0.00 -2.50 0.00 0.00 55.73 52.24 2jtd s ARG 36 Cb -0.11 -3.84 0.02 0.00 0.06 0.00 0.00 34.95 31.07 2jtd s ARG 36 CO -0.01 -0.74 -0.06 0.12 -2.50 0.00 0.00 175.30 172.11 2jtd s PHE 37 N 1.60 0.93 0.02 5.12 2.19 -1.21 0.23 117.98 126.86 2jtd s PHE 37 Ca 0.03 -0.30 -0.16 0.00 0.33 0.00 0.00 56.93 56.83 2jtd s PHE 37 Cb -0.19 -0.78 0.03 0.00 -1.31 0.00 0.00 43.02 40.76 2jtd s PHE 37 CO 0.08 -0.23 0.34 1.67 1.83 0.00 0.00 175.22 178.92 2jtd s TRP 38 N 0.91 -0.19 -0.02 10.12 1.48 -0.99 -0.88 118.94 129.38 2jtd s TRP 38 Ca -0.11 0.19 0.04 0.00 -1.06 0.00 0.00 56.10 55.16 2jtd s TRP 38 Cb -0.15 0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.29 2jtd s TRP 38 CO 0.01 -0.47 -0.14 0.00 -4.06 0.00 0.00 176.95 172.28 2jtd s MET 39 N -1.98 1.23 -0.18 3.25 0.23 0.11 -2.05 119.30 119.92 2jtd s MET 39 Ca -0.09 -0.51 -0.12 0.00 -1.03 0.00 0.00 55.69 53.94 2jtd s MET 39 Cb -0.03 -1.17 -0.05 0.00 -1.53 0.00 0.00 34.83 32.06 2jtd s MET 39 CO 0.01 0.29 0.21 -1.14 -2.03 0.00 0.00 175.02 172.35 2jtd s GLN 40 N -0.24 4.19 -0.06 3.16 0.74 -0.38 -2.14 119.66 124.93 2jtd s GLN 40 Ca 0.04 -0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.42 2jtd s GLN 40 Cb -0.07 -3.41 0.01 0.00 1.10 0.00 0.00 33.01 30.64 2jtd s GLN 40 CO -0.00 0.29 -0.15 0.00 -0.55 0.00 0.00 175.29 174.88 2jtd s ALA 41 N 0.35 1.41 -0.83 1.58 0.00 -0.89 -1.67 121.76 121.71 2jtd s ALA 41 Ca 0.13 -0.55 0.25 0.00 0.00 0.00 0.00 51.96 51.79 2jtd s ALA 41 Cb -0.12 -0.56 0.61 0.00 0.00 0.00 0.00 23.12 23.05 2jtd s ALA 41 CO 0.01 0.18 1.51 -0.85 0.00 0.00 0.00 175.76 176.62 2jtd n GLU 42 N 3.55 0.15 -4.61 0.00 0.28 -1.26 -4.72 120.64 114.04 2jtd n GLU 42 Ca -0.21 0.06 -0.27 0.00 -0.16 0.00 0.00 57.16 56.59 2jtd n GLU 42 Cb 0.52 -1.61 -0.14 0.00 1.43 0.00 0.00 31.44 31.64 2jtd n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2jtd s LYS 43 N -3.08 1.44 0.00 3.44 -0.14 -1.26 -5.10 119.74 115.04 2jtd s LYS 43 Ca 0.10 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 2jtd s LYS 43 Cb 0.15 -1.65 0.00 0.00 -1.68 0.00 0.00 37.83 34.66 2jtd s LYS 43 CO 0.67 0.41 0.00 1.28 -0.76 0.00 0.00 175.35 176.95 2jtd n LEU 44 N 1.58 0.00 -4.18 3.17 4.77 -1.26 -5.01 117.00 116.06 2jtd n LEU 44 Ca -0.18 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.46 2jtd n LEU 44 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2jtd n LEU 44 CO 0.23 0.00 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.37 2jtd s SER 45 N -0.12 4.76 0.00 -1.43 0.15 -1.26 -4.91 113.70 110.89 2jtd s SER 45 Ca 0.00 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2jtd s SER 45 Cb 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2jtd s SER 45 CO 0.00 -0.23 0.00 -1.54 1.20 0.00 0.00 173.24 172.67 2jtd n SER 46 N 4.64 0.00 0.00 5.45 3.41 -1.26 -5.02 113.62 120.84 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 0.00 2.82 -4.55 4.04 4.13 -1.26 -4.97 115.26 115.46 2jtd n ASN 47 Ca 0.00 -0.01 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 2jtd n ASN 47 Cb 0.00 0.58 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 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 -1.15 2.73 -0.13 5.41 0.00 -1.26 -4.99 121.76 122.38 2jtd s ALA 48 Ca 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.35 2jtd s ALA 48 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 2jtd s ALA 48 CO 0.00 -3.38 0.10 0.21 0.00 0.00 0.00 175.76 172.69 2jtd s LYS 49 N 5.60 3.48 -0.26 0.00 2.20 -1.26 -4.91 119.74 124.59 2jtd s LYS 49 Ca 0.38 -0.22 -0.13 0.00 -0.36 0.00 0.00 55.97 55.64 2jtd s LYS 49 Cb -0.06 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2jtd s LYS 49 CO 0.10 0.66 0.27 0.54 -0.36 0.00 0.00 175.35 176.56 2jtd s VAL 50 N -0.71 5.26 -0.51 4.02 0.11 -1.26 -4.19 120.40 123.12 2jtd s VAL 50 Ca 0.13 0.38 -0.26 0.00 -2.93 0.00 0.00 61.98 59.29 2jtd s VAL 50 Cb -0.12 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2jtd s VAL 50 CO 0.03 0.24 1.02 -0.44 -3.33 0.00 0.00 175.10 172.62 2jtd s SER 51 N 1.45 6.48 -1.00 3.54 0.01 0.11 -4.93 113.70 119.36 2jtd s SER 51 Ca 0.11 0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.22 2jtd s SER 51 Cb -0.15 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2jtd s SER 51 CO 0.09 -1.21 1.66 -0.31 0.41 0.00 0.00 173.24 173.88 2jtd s TYR 52 N 4.15 2.26 -0.14 2.43 2.02 -1.26 -2.51 117.35 124.30 2jtd s TYR 52 Ca 0.39 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 2jtd s TYR 52 Cb -0.10 -4.44 -0.02 0.00 -0.40 0.00 0.00 41.96 37.00 2jtd s TYR 52 CO 0.26 -1.84 -0.07 0.42 -1.57 0.00 0.00 175.55 172.75 2jtd s ILE 53 N 6.99 3.58 -0.26 2.71 -1.09 -1.02 -1.81 121.20 130.30 2jtd s ILE 53 Ca 0.56 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2jtd s ILE 53 Cb -0.02 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.39 2jtd s ILE 53 CO -0.05 0.51 0.02 0.12 -1.23 0.00 0.00 174.94 174.31 2jtd s PHE 54 N 0.31 2.12 -1.22 3.97 5.36 0.15 -0.03 117.98 128.64 2jtd s PHE 54 Ca -0.06 -1.74 -0.00 0.00 -0.96 0.00 0.00 56.93 54.16 2jtd s PHE 54 Cb -0.15 -1.68 -0.00 0.00 -0.34 0.00 0.00 43.02 40.85 2jtd s PHE 54 CO 0.04 -0.80 0.92 -1.71 -1.46 0.00 0.00 175.22 172.21 2jtd n ASN 55 N 4.74 -2.05 0.00 6.13 2.85 -0.28 -1.94 115.26 124.72 2jtd n ASN 55 Ca -0.07 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 2jtd n ASN 55 Cb 0.44 -4.84 0.00 0.00 1.24 0.00 0.00 39.78 36.62 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 -4.13 -0.98 -4.45 1.20 1.02 -1.26 -4.98 120.64 107.07 2jtd n GLU 56 Ca -0.28 0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 56.76 2jtd n GLU 56 Cb 0.67 -4.16 -0.10 0.00 -0.02 0.00 0.00 31.44 27.83 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 -1.13 2.88 0.06 3.49 -0.14 -0.82 -5.06 119.74 119.03 2jtd s LYS 57 Ca 0.00 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 2jtd s LYS 57 Cb 0.00 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2jtd s LYS 57 CO 0.00 0.68 1.07 -1.21 -0.76 0.00 0.00 175.35 175.13 2jtd s GLU 58 N -0.92 4.54 0.53 1.68 2.02 -1.26 0.32 118.70 125.62 2jtd s GLU 58 Ca 0.14 1.58 0.06 0.00 0.02 0.00 0.00 54.97 56.77 2jtd s GLU 58 Cb -0.11 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.77 2jtd s GLU 58 CO 0.03 -0.06 0.41 0.96 0.02 0.00 0.00 175.26 176.62 2jtd s ILE 59 N 0.70 1.75 0.11 -1.63 -4.36 -0.75 -4.92 121.20 112.09 2jtd s ILE 59 Ca 0.53 -1.47 -0.08 0.00 -0.26 0.00 0.00 60.65 59.38 2jtd s ILE 59 Cb -0.25 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 2jtd s ILE 59 CO 0.30 0.00 0.19 0.72 0.24 0.00 0.00 174.94 176.38 2jtd s PHE 60 N -2.75 0.29 0.31 1.37 -0.12 -1.26 -4.98 117.98 110.84 2jtd s PHE 60 Ca 0.36 -0.71 -0.27 0.00 -0.05 0.00 0.00 56.93 56.26 2jtd s PHE 60 Cb -0.02 -0.11 -0.10 0.00 -0.63 0.00 0.00 43.02 42.16 2jtd s PHE 60 CO 0.22 -0.57 0.96 -2.00 -0.05 0.00 0.00 175.22 173.78 2jtd s GLU 61 N -3.90 4.62 0.00 1.99 2.12 -1.26 -4.76 118.70 117.51 2jtd s GLU 61 Ca 0.09 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.82 2jtd s GLU 61 Cb 0.05 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.53 2jtd s GLU 61 CO -0.07 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 2jtd n GLY 62 N 0.78 1.02 0.14 -1.50 0.00 -0.68 -4.98 105.19 99.98 2jtd n GLY 62 Ca 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.33 0.25 1.61 0.11 -2.02 -3.38 132.00 128.24 2jtd h PRO 63 Ca 0.00 0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.79 2jtd h PRO 63 Cb 0.00 0.07 0.03 0.00 0.11 0.00 0.00 31.00 31.22 2jtd h PRO 63 CO 0.00 -0.22 -1.53 -0.22 -0.21 0.00 0.00 178.00 175.82 2jtd h LYS 64 N -0.53 0.52 -6.34 1.05 3.64 -1.96 -3.46 116.57 109.49 2jtd h LYS 64 Ca -0.03 -0.89 -0.54 0.00 -1.27 0.00 0.00 60.65 57.91 2jtd h LYS 64 Cb 0.26 0.33 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2jtd h LYS 64 CO 0.06 1.42 0.33 0.71 -2.27 0.00 0.00 179.45 179.70 2jtd s TYR 65 N -2.60 3.64 -0.09 1.91 2.02 -1.26 -4.46 117.35 116.51 2jtd s TYR 65 Ca -0.10 1.62 -0.03 0.00 -0.37 0.00 0.00 57.07 58.19 2jtd s TYR 65 Cb 0.04 -3.07 0.04 0.00 -0.40 0.00 0.00 41.96 38.57 2jtd s TYR 65 CO 0.93 -0.01 0.05 0.15 -1.57 0.00 0.00 175.55 175.11 2jtd s LYS 66 N 1.03 0.20 -0.14 -0.62 -0.14 -1.20 -1.68 119.74 117.18 2jtd s LYS 66 Ca 0.49 0.12 0.02 0.00 -1.36 0.00 0.00 55.97 55.24 2jtd s LYS 66 Cb -0.20 -1.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.86 2jtd s LYS 66 CO 0.26 -0.44 -0.21 -1.64 -0.76 0.00 0.00 175.35 172.57 2jtd s MET 67 N 2.08 2.89 -0.36 1.68 -1.94 -1.26 -0.59 119.30 121.81 2jtd s MET 67 Ca 0.04 -0.80 -0.16 0.00 -1.71 0.00 0.00 55.69 53.05 2jtd s MET 67 Cb -0.14 -2.37 -0.01 0.00 2.01 0.00 0.00 34.83 34.32 2jtd s MET 67 CO -0.05 -0.06 0.40 -1.01 -0.01 0.00 0.00 175.02 174.29 2jtd s HIS 68 N 0.93 3.20 -0.36 -0.03 0.09 0.14 -4.94 115.29 114.32 2jtd s HIS 68 Ca -0.05 -0.04 -0.07 0.00 -0.00 0.00 0.00 55.06 54.90 2jtd s HIS 68 Cb -0.15 -2.75 0.05 0.00 -0.00 0.00 0.00 32.58 29.73 2jtd s HIS 68 CO -0.04 -0.49 0.14 -1.50 -0.00 0.00 0.00 174.74 172.84 2jtd s ILE 69 N 2.11 3.84 -0.22 0.60 2.07 -1.26 -0.70 121.20 127.63 2jtd s ILE 69 Ca 0.13 -1.23 -0.07 0.00 -1.41 0.00 0.00 60.65 58.07 2jtd s ILE 69 Cb -0.16 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 2jtd s ILE 69 CO 0.12 -0.26 0.07 -0.62 -1.91 0.00 0.00 174.94 172.34 2jtd s ASP 70 N 1.55 5.42 -0.05 4.50 2.15 -1.21 -4.96 116.67 124.08 2jtd s ASP 70 Ca -0.00 -0.05 0.13 0.00 0.43 0.00 0.00 52.55 53.05 2jtd s ASP 70 Cb -0.20 -1.95 0.40 0.00 -0.30 0.00 0.00 42.92 40.87 2jtd s ASP 70 CO 0.02 0.07 1.33 0.54 -0.17 0.00 0.00 175.17 176.97 2jtd n ARG 71 N 4.23 2.94 -0.09 4.34 3.00 -1.26 -3.67 116.66 126.16 2jtd n ARG 71 Ca -0.16 -2.31 -0.22 0.00 -0.01 0.00 0.00 57.85 55.14 2jtd n ARG 71 Cb 0.52 -1.45 -0.12 0.00 0.00 0.00 0.00 32.46 31.40 2jtd n ARG 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jtd n ASN 72 N 0.40 2.00 -0.06 0.55 3.02 -1.26 -4.80 115.26 115.12 2jtd n ASN 72 Ca 0.15 0.17 -0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2jtd n ASN 72 Cb 0.57 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 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 -3.76 1.02 0.00 3.41 -1.04 -1.26 -5.06 114.28 107.59 2jtd n THR 73 Ca -0.41 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2jtd n THR 73 Cb 0.93 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 2.19 1.07 3.12 3.41 0.00 -1.24 -5.00 105.19 108.75 2jtd n GLY 74 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.57 2.43 -0.26 -0.61 -1.09 -1.25 -2.10 121.20 116.75 2jtd s ILE 75 Ca 0.00 -1.35 -0.10 0.00 -2.23 0.00 0.00 60.65 56.97 2jtd s ILE 75 Cb 0.00 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 2jtd s ILE 75 CO 0.00 0.10 0.15 -0.63 -1.23 0.00 0.00 174.94 173.33 2jtd s ILE 76 N 1.20 5.10 0.20 2.92 1.01 -0.91 -3.30 121.20 127.42 2jtd s ILE 76 Ca -0.04 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.80 2jtd s ILE 76 Cb -0.18 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2jtd s ILE 76 CO -0.06 0.31 -0.12 -1.61 0.00 0.00 0.00 174.94 173.46 2jtd s GLU 77 N 1.45 1.96 -0.07 2.79 2.02 0.12 0.06 118.70 127.03 2jtd s GLU 77 Ca 0.07 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 2jtd s GLU 77 Cb -0.15 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.04 2jtd s GLU 77 CO 0.07 0.41 -0.01 1.41 0.02 0.00 0.00 175.26 177.17 2jtd s MET 78 N -2.94 0.65 -0.20 1.61 1.75 -0.06 0.25 119.30 120.36 2jtd s MET 78 Ca 0.25 0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 2jtd s MET 78 Cb -0.08 -0.97 0.03 0.00 2.84 0.00 0.00 34.83 36.65 2jtd s MET 78 CO 0.15 -0.28 -0.17 0.12 -0.65 0.00 0.00 175.02 174.19 2jtd s PHE 79 N 1.85 2.91 0.05 4.11 5.36 0.25 -3.31 117.98 129.19 2jtd s PHE 79 Ca 0.03 -1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 54.13 2jtd s PHE 79 Cb -0.12 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 2jtd s PHE 79 CO -0.05 -0.83 0.03 -1.64 -1.46 0.00 0.00 175.22 171.28 2jtd s MET 80 N 1.24 0.63 0.14 10.12 -1.94 -1.26 -3.26 119.30 124.97 2jtd s MET 80 Ca 0.01 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 2jtd s MET 80 Cb -0.15 0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.92 2jtd s MET 80 CO -0.11 -0.14 0.00 -0.85 -0.01 0.00 0.00 175.02 173.91 2jtd n GLU 81 N 0.30 0.00 0.00 2.03 0.28 -1.26 -2.97 120.64 119.02 2jtd n GLU 81 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2jtd n GLU 81 Cb 0.60 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 33.29 2jtd n GLU 81 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2jtd n LYS 82 N -3.22 0.00 0.00 3.44 0.00 -1.26 -4.89 118.16 112.23 2jtd n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jtd n LYS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2jtd n LYS 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jtd n LEU 83 N 0.00 0.00 0.00 -5.58 -0.00 -1.26 -4.86 117.00 105.30 2jtd n LEU 83 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 2jtd n LEU 83 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 2jtd n LEU 83 CO 0.00 -0.50 0.09 0.00 -0.00 0.00 0.00 177.39 176.98 2jtd n GLN 84 N -2.50 0.92 -0.07 1.96 6.02 -1.26 -5.02 117.38 117.43 2jtd n GLN 84 Ca 0.00 -0.82 -0.11 0.00 -0.01 0.00 0.00 57.00 56.06 2jtd n GLN 84 Cb 0.00 -0.05 -0.10 0.00 1.02 0.00 0.00 30.24 31.11 2jtd n GLN 84 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2jtd h ASP 85 N 0.04 0.00 0.00 1.08 3.58 -2.00 -3.31 116.42 115.81 2jtd h ASP 85 Ca -0.07 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.61 2jtd h ASP 85 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2jtd h ASP 85 CO 0.10 0.90 0.00 -0.62 -2.88 0.00 0.00 179.24 176.75 2jtd n GLU 86 N -4.64 0.81 0.10 0.28 4.71 -1.26 -3.78 120.64 116.85 2jtd n GLU 86 Ca -0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.17 2jtd n GLU 86 Cb 0.38 -1.15 0.44 0.00 -1.01 0.00 0.00 31.44 30.10 2jtd n GLU 86 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2jtd n ASP 87 N -0.65 0.47 -4.86 1.62 2.03 -1.25 -4.62 116.55 109.30 2jtd n ASP 87 Ca 0.06 0.63 -0.36 0.00 0.52 0.00 0.00 54.79 55.63 2jtd n ASP 87 Cb 0.03 -0.72 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jtd s GLU 88 N -3.24 3.38 0.00 -0.67 2.56 -1.25 -4.93 118.70 114.56 2jtd s GLU 88 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 54.83 2jtd s GLU 88 Cb 0.09 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.09 2jtd s GLU 88 CO 0.34 0.76 0.00 0.41 -0.56 0.00 0.00 175.26 176.21 2jtd n GLY 89 N 1.88 3.10 3.28 -1.50 0.00 -1.01 -4.80 105.19 106.13 2jtd n GLY 89 Ca -0.19 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 0.37 3.03 -0.10 2.61 2.01 -1.26 -0.47 115.64 121.83 2jtd s THR 90 Ca 0.00 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 2jtd s THR 90 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2jtd s THR 90 CO 0.00 0.47 0.08 -0.31 -0.69 0.00 0.00 174.62 174.16 2jtd s TYR 91 N 1.25 3.40 -0.23 4.92 1.51 0.13 -1.12 117.35 127.21 2jtd s TYR 91 Ca 0.03 0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 56.43 2jtd s TYR 91 Cb -0.14 -1.87 0.10 0.00 -0.11 0.00 0.00 41.96 39.93 2jtd s TYR 91 CO -0.04 0.62 0.20 0.99 -1.11 0.00 0.00 175.55 176.20 2jtd s THR 92 N -0.96 -0.25 -0.29 -0.71 2.01 0.96 -0.13 115.64 116.27 2jtd s THR 92 Ca 0.14 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 2jtd s THR 92 Cb -0.12 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2jtd s THR 92 CO 0.03 -0.38 0.35 -0.36 -0.69 0.00 0.00 174.62 173.57 2jtd s PHE 93 N 2.26 3.23 -0.28 4.92 0.40 -0.89 -2.44 117.98 125.18 2jtd s PHE 93 Ca 0.07 0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.59 2jtd s PHE 93 Cb -0.15 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 2jtd s PHE 93 CO -0.21 -0.27 0.09 -1.14 0.70 0.00 0.00 175.22 174.39 2jtd s GLN 94 N 2.02 3.36 0.05 0.44 -0.44 -1.04 -2.00 119.66 122.04 2jtd s GLN 94 Ca 0.13 -0.68 0.07 0.00 -2.50 0.00 0.00 55.36 52.38 2jtd s GLN 94 Cb -0.16 -3.39 -0.03 0.00 -1.64 0.00 0.00 33.01 27.79 2jtd s GLN 94 CO 0.11 -0.34 -0.20 0.42 0.50 0.00 0.00 175.29 175.78 2jtd s ILE 95 N 1.57 1.59 -0.19 -2.34 1.01 -0.69 0.09 121.20 122.25 2jtd s ILE 95 Ca 0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 2jtd s ILE 95 Cb -0.16 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 2jtd s ILE 95 CO 0.04 0.16 -0.02 -1.58 0.00 0.00 0.00 174.94 173.53 2jtd s GLN 96 N -1.21 3.58 0.00 2.79 0.74 -1.26 -1.40 119.66 122.90 2jtd s GLN 96 Ca 0.07 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.93 2jtd s GLN 96 Cb -0.09 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.03 2jtd s GLN 96 CO 0.02 0.05 0.00 -0.25 -0.55 0.00 0.00 175.29 174.56 2jtd n ASP 97 N 4.10 0.95 -4.56 6.67 9.92 0.11 -4.80 116.55 128.94 2jtd n ASP 97 Ca -0.17 -0.33 -0.29 0.00 -0.53 0.00 0.00 54.79 53.46 2jtd n ASP 97 Cb 0.52 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.95 2jtd n ASP 97 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2jtd s GLY 98 N -0.85 0.38 0.00 0.44 0.00 -1.26 -3.97 107.32 102.06 2jtd s GLY 98 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2jtd s GLY 98 CO 0.00 3.35 0.00 0.28 0.00 0.00 0.00 173.10 176.73 2jtd n LYS 99 N 8.80 0.00 -2.52 2.90 5.02 -1.26 -4.93 118.16 126.17 2jtd n LYS 99 Ca 0.40 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.46 2jtd n LYS 99 Cb 0.48 -0.40 0.05 0.00 -0.02 0.00 0.00 35.03 35.13 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 -0.04 3.69 -0.17 7.82 0.00 -1.25 -5.10 121.76 126.70 2jtd s ALA 100 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 2jtd s ALA 100 Cb 0.00 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.95 2jtd s ALA 100 CO 0.00 -0.90 0.00 0.95 0.00 0.00 0.00 175.76 175.81 2jtd s THR 101 N -2.90 0.70 -0.96 0.00 -4.23 -1.26 0.08 115.64 107.08 2jtd s THR 101 Ca 0.58 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 60.36 2jtd s THR 101 Cb -0.10 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 2jtd s THR 101 CO 0.40 -0.03 1.84 -0.83 -0.54 0.00 0.00 174.62 175.45 2jtd s GLY 102 N 1.80 0.44 -0.06 3.99 0.00 -0.49 -4.86 107.32 108.14 2jtd s GLY 102 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 44.72 43.03 2jtd s GLY 102 CO -0.07 3.31 -0.24 -2.38 0.00 0.00 0.00 173.10 173.72 2jtd s HIS 103 N 8.93 2.47 -0.04 1.90 -3.43 -1.26 -1.70 115.29 122.16 2jtd s HIS 103 Ca 0.64 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 2jtd s HIS 103 Cb -0.05 -1.61 0.03 0.00 -1.43 0.00 0.00 32.58 29.52 2jtd s HIS 103 CO -0.01 -0.18 -0.02 0.45 -2.00 0.00 0.00 174.74 172.98 2jtd s SER 104 N -0.20 0.89 -0.27 7.38 0.15 -0.85 -5.00 113.70 115.79 2jtd s SER 104 Ca -0.02 -0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 2jtd s SER 104 Cb -0.13 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2jtd s SER 104 CO 0.03 -0.10 0.13 -0.89 1.20 0.00 0.00 173.24 173.61 2jtd s THR 105 N 1.20 4.69 -0.23 6.45 2.01 -1.26 -2.10 115.64 126.40 2jtd s THR 105 Ca -0.07 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2jtd s THR 105 Cb -0.14 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.18 2jtd s THR 105 CO -0.02 0.24 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.91 2jtd s LEU 106 N 1.66 2.42 -0.23 4.42 1.98 0.81 -5.00 118.68 124.74 2jtd s LEU 106 Ca 0.06 -1.17 -0.06 0.00 -2.89 0.00 0.00 54.13 50.07 2jtd s LEU 106 Cb -0.16 -1.10 -0.02 0.00 0.66 0.00 0.00 46.19 45.58 2jtd s LEU 106 CO 0.07 -0.26 0.02 0.54 -1.89 0.00 0.00 176.35 174.82 2jtd s VAL 107 N 1.46 3.90 -0.30 1.68 0.11 -1.26 0.19 120.40 126.17 2jtd s VAL 107 Ca -0.04 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2jtd s VAL 107 Cb -0.19 -2.80 0.09 0.00 -1.53 0.00 0.00 36.38 31.95 2jtd s VAL 107 CO -0.07 0.39 0.02 -0.76 -3.33 0.00 0.00 175.10 171.34 2jtd s LEU 108 N 1.45 3.65 -0.09 2.54 1.43 0.38 -4.62 118.68 123.43 2jtd s LEU 108 Ca 0.05 -1.75 -0.04 0.00 -1.03 0.00 0.00 54.13 51.36 2jtd s LEU 108 Cb -0.15 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.74 2jtd s LEU 108 CO 0.01 -0.33 0.19 -0.63 0.23 0.00 0.00 176.35 175.81 2jtd s ILE 109 N 1.17 -0.13 0.00 -0.59 1.01 -1.26 -2.40 121.20 118.99 2jtd s ILE 109 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2jtd s ILE 109 Cb -0.19 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2jtd s ILE 109 CO -0.11 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2jtd n GLY 110 N 4.58 1.79 0.24 6.18 0.00 -1.26 -0.23 105.19 116.49 2jtd n GLY 110 Ca -0.19 0.52 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 0.31 1.61 5.19 -2.00 -3.17 116.42 118.36 2jtd h ASP 111 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2jtd h ASP 111 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jtd h ASP 111 CO 0.00 0.17 -0.15 0.58 -3.12 0.00 0.00 179.24 176.72 2jtd h VAL 112 N 0.00 0.58 -0.39 -1.35 2.07 -0.98 -3.16 116.25 113.03 2jtd h VAL 112 Ca -0.00 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 2jtd h VAL 112 Cb 0.64 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2jtd h VAL 112 CO 0.02 0.12 -0.05 0.10 0.02 0.00 0.00 177.57 177.78 2jtd h TYR 113 N -0.89 0.68 -0.35 1.57 -0.00 -1.61 -2.92 116.97 113.46 2jtd h TYR 113 Ca -0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 58.73 58.51 2jtd h TYR 113 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 36.73 37.05 2jtd h TYR 113 CO 0.04 0.68 -0.14 1.57 -0.00 0.00 0.00 178.16 180.31 2jtd h LYS 114 N 0.60 0.62 -0.27 0.10 2.10 -1.63 -1.16 116.57 116.92 2jtd h LYS 114 Ca 0.12 -0.20 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 2jtd h LYS 114 Cb 0.46 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2jtd h LYS 114 CO 0.02 0.74 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.84 2jtd h LYS 115 N 0.56 0.57 -0.20 0.07 3.64 -1.48 -3.05 116.57 116.69 2jtd h LYS 115 Ca 0.10 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 2jtd h LYS 115 Cb 0.57 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2jtd h LYS 115 CO 0.04 0.83 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.91 2jtd h LEU 116 N 0.30 0.28 -0.27 5.20 3.38 -1.29 -2.50 115.31 120.42 2jtd h LEU 116 Ca 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jtd h LEU 116 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2jtd h LEU 116 CO 0.04 0.39 0.13 1.56 0.09 0.00 0.00 178.44 180.66 2jtd h GLN 117 N 0.29 0.39 0.00 1.13 4.20 -1.12 -2.26 115.11 117.74 2jtd h GLN 117 Ca 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2jtd h GLN 117 Cb 0.31 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jtd h GLN 117 CO 0.01 0.38 -0.14 0.87 -0.67 0.00 0.00 178.83 179.29 2jtd h LYS 118 N 0.30 0.00 0.00 1.46 1.79 -1.40 -1.03 116.57 117.69 2jtd h LYS 118 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2jtd h LYS 118 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jtd h LYS 118 CO -0.01 0.14 -0.12 0.39 -1.08 0.00 0.00 179.45 178.77 2jtd n GLU 119 N -3.24 0.11 -0.02 3.15 1.02 -0.97 -3.99 120.64 116.69 2jtd n GLU 119 Ca 0.01 0.08 -0.02 0.00 -0.02 0.00 0.00 57.16 57.21 2jtd n GLU 119 Cb 0.42 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtd n ALA 120 N -1.62 0.18 -2.79 0.62 0.00 -0.66 -4.88 120.51 111.35 2jtd n ALA 120 Ca 0.06 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 2jtd n ALA 120 Cb 0.38 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jtd s GLU 121 N -1.44 3.46 0.00 0.00 2.02 -0.48 -5.11 118.70 117.15 2jtd s GLU 121 Ca -0.06 -0.64 0.30 0.00 0.02 0.00 0.00 54.97 54.59 2jtd s GLU 121 Cb 0.01 -3.60 1.48 0.00 0.10 0.00 0.00 34.13 32.11 2jtd s GLU 121 CO 0.09 -0.38 1.99 1.19 0.02 0.00 0.00 175.26 178.16