#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 3.37 -0.65 5.31 8.01 -1.26 -5.05 118.70 128.43 2jtd s GLU 2 Ca 0.00 -0.58 -0.27 0.00 0.01 0.00 0.00 54.97 54.12 2jtd s GLU 2 Cb 0.00 -2.75 0.02 0.00 -4.31 0.00 0.00 34.13 27.10 2jtd s GLU 2 CO 0.00 0.33 1.34 -1.21 0.01 0.00 0.00 175.26 175.73 2jtd s GLU 3 N 0.09 3.25 0.32 1.61 2.02 -1.26 -4.89 118.70 119.84 2jtd s GLU 3 Ca -0.03 0.12 0.08 0.00 0.02 0.00 0.00 54.97 55.16 2jtd s GLU 3 Cb -0.14 -4.14 0.54 0.00 0.10 0.00 0.00 34.13 30.49 2jtd s GLU 3 CO 0.03 -2.03 1.75 1.98 0.02 0.00 0.00 175.26 177.02 2jtd h MET 4 N 10.56 0.21 0.00 1.61 4.05 -2.01 -1.99 114.93 127.36 2jtd h MET 4 Ca -0.27 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 2jtd h MET 4 Cb 1.07 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.86 2jtd h MET 4 CO 1.23 0.54 -0.06 0.87 0.23 0.00 0.00 176.91 179.72 2jtd h LYS 5 N 0.19 0.00 -0.00 0.39 6.56 -2.03 -1.63 116.57 120.05 2jtd h LYS 5 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2jtd h LYS 5 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 2jtd h LYS 5 CO 0.05 0.06 -0.04 0.54 -2.06 0.00 0.00 179.45 178.01 2jtd n ARG 6 N -3.21 0.09 0.07 3.15 5.12 -0.75 -3.54 116.66 117.60 2jtd n ARG 6 Ca 0.00 -0.01 0.04 0.00 -1.93 0.00 0.00 57.85 55.95 2jtd n ARG 6 Cb 0.31 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.08 2jtd n ARG 6 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2jtd h LEU 7 N 0.02 0.00 0.00 0.55 6.46 -1.36 -3.34 115.31 117.64 2jtd h LEU 7 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2jtd h LEU 7 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2jtd h LEU 7 CO 0.00 0.39 0.00 0.18 -0.62 0.00 0.00 178.44 178.39 2jtd n LEU 8 N -2.87 0.00 0.11 2.25 7.99 -1.23 -2.73 117.00 120.52 2jtd n LEU 8 Ca -0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.94 2jtd n LEU 8 Cb 0.74 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 44.04 2jtd n LEU 8 CO 0.42 0.00 0.37 0.00 -1.51 0.00 0.00 177.39 176.66 2jtd h ALA 9 N 2.48 0.58 -2.43 -1.18 0.00 -1.82 -3.46 119.26 113.43 2jtd h ALA 9 Ca 0.00 -0.61 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 2jtd h ALA 9 Cb 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.74 2jtd h ALA 9 CO 0.00 0.84 0.93 -0.11 0.00 0.00 0.00 179.25 180.90 2jtd n LEU 10 N -3.29 3.56 -4.19 0.00 7.94 -1.10 -4.95 117.00 114.97 2jtd n LEU 10 Ca 0.01 1.06 -0.14 0.00 -1.11 0.00 0.00 56.01 55.83 2jtd n LEU 10 Cb 0.79 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 43.17 2jtd n LEU 10 CO 0.43 -0.05 -0.11 -0.44 -1.11 0.00 0.00 177.39 176.11 2jtd s SER 11 N 1.35 0.62 0.33 1.96 0.01 -1.26 -5.15 113.70 111.55 2jtd s SER 11 Ca 0.78 -1.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.34 2jtd s SER 11 Cb -0.59 0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2jtd s SER 11 CO 0.36 -0.99 0.94 -1.10 0.41 0.00 0.00 173.24 172.86 2jtd s GLN 12 N -3.82 4.55 -0.18 12.44 -1.52 -1.26 -5.00 119.66 124.86 2jtd s GLN 12 Ca 0.37 1.30 -0.29 0.00 -1.95 0.00 0.00 55.36 54.78 2jtd s GLN 12 Cb 0.04 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 2jtd s GLN 12 CO 0.17 0.27 1.36 -1.83 -0.25 0.00 0.00 175.29 175.00 2jtd s GLU 13 N -2.12 4.12 0.00 2.91 1.03 -1.26 -4.82 118.70 118.57 2jtd s GLU 13 Ca 0.51 1.65 0.05 0.00 0.03 0.00 0.00 54.97 57.20 2jtd s GLU 13 Cb -0.18 -3.84 0.08 0.00 -0.80 0.00 0.00 34.13 29.38 2jtd s GLU 13 CO 0.23 -0.86 1.01 -2.39 -1.33 0.00 0.00 175.26 171.92 2jtd n HIS 14 N 7.06 0.00 -2.60 4.83 1.44 -1.26 -5.05 115.22 119.65 2jtd n HIS 14 Ca 0.15 -0.48 -0.41 0.00 -2.01 0.00 0.00 57.72 54.97 2jtd n HIS 14 Cb 0.45 0.37 -0.03 0.00 0.12 0.00 0.00 29.99 30.90 2jtd n HIS 14 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2jtd s LYS 15 N 0.00 3.30 0.08 -1.40 -0.14 -1.26 -4.89 119.74 115.42 2jtd s LYS 15 Ca 0.06 -0.57 -0.28 0.00 -1.36 0.00 0.00 55.97 53.82 2jtd s LYS 15 Cb 0.07 -4.50 -0.17 0.00 -1.68 0.00 0.00 37.83 31.54 2jtd s LYS 15 CO -0.03 -2.12 1.66 0.74 -0.76 0.00 0.00 175.35 174.84 2jtd h PHE 16 N 9.89 -0.41 -3.63 3.18 0.04 -2.01 -3.38 116.94 120.61 2jtd h PHE 16 Ca -0.15 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.03 2jtd h PHE 16 Cb 1.04 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 39.23 2jtd h PHE 16 CO 1.15 -0.24 0.67 -1.25 -0.60 0.00 0.00 178.31 178.05 2jtd s PRO 17 N -6.02 3.65 0.00 1.51 0.04 -1.26 -4.96 135.00 127.96 2jtd s PRO 17 Ca -0.15 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2jtd s PRO 17 Cb 0.05 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2jtd s PRO 17 CO 0.64 -1.19 0.00 -2.37 0.04 0.00 0.00 177.00 174.11 2jtd n THR 18 N 6.41 0.00 -1.71 1.26 5.66 -1.26 -4.99 114.28 119.65 2jtd n THR 18 Ca 0.08 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.77 2jtd n THR 18 Cb 0.48 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.30 2jtd n THR 18 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2jtd s VAL 19 N -2.81 4.32 -0.10 1.08 -7.23 -1.26 -4.95 120.40 109.45 2jtd s VAL 19 Ca 0.00 0.75 0.27 0.00 -1.81 0.00 0.00 61.98 61.19 2jtd s VAL 19 Cb 0.00 -3.61 0.28 0.00 0.56 0.00 0.00 36.38 33.60 2jtd s VAL 19 CO 0.00 -0.98 1.82 -0.65 -0.31 0.00 0.00 175.10 174.97 2jtd h PRO 20 N -0.54 0.00 0.00 4.82 0.11 -1.95 -3.44 132.00 131.00 2jtd h PRO 20 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2jtd h PRO 20 Cb 1.20 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.36 2jtd h PRO 20 CO 0.59 0.00 0.10 0.25 -0.21 0.00 0.00 178.00 178.73 2jtd n THR 21 N -2.46 0.00 1.46 -1.15 -2.24 -1.26 -4.96 114.28 103.67 2jtd n THR 21 Ca -0.01 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.50 2jtd n THR 21 Cb 0.11 -1.61 0.42 0.00 -2.10 0.00 0.00 70.33 67.15 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 -1.77 1.51 -3.00 -0.78 4.76 -1.26 -4.78 118.16 112.84 2jtd n LYS 22 Ca 0.05 -0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 54.30 2jtd n LYS 22 Cb 0.18 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.57 6.55 -0.09 4.39 0.15 -1.26 -4.46 113.70 117.41 2jtd s SER 23 Ca 0.31 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.37 2jtd s SER 23 Cb 0.16 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2jtd s SER 23 CO 0.25 -0.66 -0.18 -1.83 1.20 0.00 0.00 173.24 172.02 2jtd s GLU 24 N 2.96 2.93 -0.22 5.44 -1.05 -1.25 -4.29 118.70 123.22 2jtd s GLU 24 Ca 0.30 -0.77 -0.09 0.00 -0.15 0.00 0.00 54.97 54.26 2jtd s GLU 24 Cb -0.14 -2.42 -0.05 0.00 -0.44 0.00 0.00 34.13 31.09 2jtd s GLU 24 CO 0.15 0.35 0.12 -1.17 0.95 0.00 0.00 175.26 175.65 2jtd s LEU 25 N -0.03 3.98 -0.18 1.83 1.98 -1.26 -2.63 118.68 122.36 2jtd s LEU 25 Ca -0.05 0.09 0.01 0.00 -2.89 0.00 0.00 54.13 51.29 2jtd s LEU 25 Cb -0.14 -2.04 0.03 0.00 0.66 0.00 0.00 46.19 44.69 2jtd s LEU 25 CO 0.04 0.11 -0.17 0.00 -1.89 0.00 0.00 176.35 174.44 2jtd s ALA 26 N 0.79 2.23 -0.37 5.97 0.00 -0.53 -5.04 121.76 124.81 2jtd s ALA 26 Ca 0.06 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.84 2jtd s ALA 26 Cb -0.13 -1.21 0.11 0.00 0.00 0.00 0.00 23.12 21.89 2jtd s ALA 26 CO 0.02 -0.49 0.10 0.08 0.00 0.00 0.00 175.76 175.46 2jtd s VAL 27 N 1.32 2.24 -0.38 0.00 1.01 -1.26 -1.37 120.40 121.97 2jtd s VAL 27 Ca 0.03 -2.48 -0.17 0.00 0.00 0.00 0.00 61.98 59.36 2jtd s VAL 27 Cb -0.14 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2jtd s VAL 27 CO -0.11 -0.65 0.45 -1.61 0.00 0.00 0.00 175.10 173.18 2jtd s GLU 28 N 0.71 3.40 -0.40 2.72 0.41 0.84 -4.95 118.70 121.42 2jtd s GLU 28 Ca 0.12 -0.46 -0.20 0.00 -0.41 0.00 0.00 54.97 54.02 2jtd s GLU 28 Cb -0.20 -3.87 0.01 0.00 -1.78 0.00 0.00 34.13 28.29 2jtd s GLU 28 CO -0.07 -0.71 0.62 0.42 -0.49 0.00 0.00 175.26 175.03 2jtd s ILE 29 N 2.23 4.87 -0.26 -1.63 1.09 -1.26 -0.79 121.20 125.45 2jtd s ILE 29 Ca 0.15 0.26 -0.05 0.00 -1.10 0.00 0.00 60.65 59.91 2jtd s ILE 29 Cb -0.16 -4.13 -0.00 0.00 -1.06 0.00 0.00 42.46 37.10 2jtd s ILE 29 CO 0.13 -0.47 0.02 -0.76 -0.10 0.00 0.00 174.94 173.77 2jtd s LEU 30 N 2.72 3.38 0.43 2.97 2.01 -0.94 -4.33 118.68 124.91 2jtd s LEU 30 Ca 0.22 -0.54 0.29 0.00 0.01 0.00 0.00 54.13 54.12 2jtd s LEU 30 Cb -0.14 -1.81 1.49 0.00 0.01 0.00 0.00 46.19 45.73 2jtd s LEU 30 CO 0.17 -0.10 1.89 -0.08 1.01 0.00 0.00 176.35 179.24 2jtd h GLU 31 N 8.17 0.00 -0.24 1.70 4.81 -1.83 -2.37 114.58 124.82 2jtd h GLU 31 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2jtd h GLU 31 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2jtd h GLU 31 CO 0.59 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.50 2jtd n LYS 32 N -2.56 0.68 0.00 1.92 5.02 -1.26 -4.78 118.16 117.18 2jtd n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jtd n LYS 32 Cb 0.11 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtd n GLY 33 N 0.17 0.77 3.52 0.72 0.00 -0.90 -5.09 105.19 104.39 2jtd n GLY 33 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.40 -0.30 1.61 -1.52 -1.18 -4.39 119.66 116.28 2jtd s GLN 34 Ca 0.00 -0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 52.55 2jtd s GLN 34 Cb 0.00 -2.38 0.01 0.00 -0.22 0.00 0.00 33.01 30.42 2jtd s GLN 34 CO 0.00 0.59 0.10 0.08 -0.25 0.00 0.00 175.29 175.81 2jtd s VAL 35 N -0.90 4.07 -0.53 1.09 1.01 0.47 -2.22 120.40 123.39 2jtd s VAL 35 Ca 0.15 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2jtd s VAL 35 Cb -0.11 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.24 2jtd s VAL 35 CO 0.05 0.06 0.61 -0.60 0.00 0.00 0.00 175.10 175.21 2jtd s ARG 36 N 1.51 3.07 -0.19 2.72 3.52 0.03 -2.14 118.95 127.47 2jtd s ARG 36 Ca 0.03 -1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 54.44 2jtd s ARG 36 Cb -0.17 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.02 2jtd s ARG 36 CO 0.03 -1.29 0.03 0.12 -0.81 0.00 0.00 175.30 173.38 2jtd s PHE 37 N 2.44 3.13 -0.11 5.12 2.19 -1.18 -0.11 117.98 129.45 2jtd s PHE 37 Ca 0.12 -0.20 -0.18 0.00 0.33 0.00 0.00 56.93 56.99 2jtd s PHE 37 Cb -0.22 -2.09 0.04 0.00 -1.31 0.00 0.00 43.02 39.45 2jtd s PHE 37 CO 0.09 -0.06 0.45 1.67 1.83 0.00 0.00 175.22 179.20 2jtd s TRP 38 N 0.74 -0.44 0.08 10.12 1.48 -0.47 0.55 118.94 131.00 2jtd s TRP 38 Ca 0.02 0.96 0.05 0.00 -1.06 0.00 0.00 56.10 56.07 2jtd s TRP 38 Cb -0.14 0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 32.33 2jtd s TRP 38 CO 0.02 -0.34 -0.14 0.00 -4.06 0.00 0.00 176.95 172.43 2jtd s MET 39 N -0.39 0.85 0.22 3.25 0.23 -0.87 -1.45 119.30 121.13 2jtd s MET 39 Ca -0.05 -1.01 0.12 0.00 -1.03 0.00 0.00 55.69 53.71 2jtd s MET 39 Cb -0.03 -0.81 -0.05 0.00 -1.53 0.00 0.00 34.83 32.41 2jtd s MET 39 CO 0.03 0.17 -0.23 -1.14 -2.03 0.00 0.00 175.02 171.82 2jtd s GLN 40 N -1.95 1.57 0.18 3.16 0.74 -1.08 -0.91 119.66 121.36 2jtd s GLN 40 Ca 0.00 -1.60 0.02 0.00 0.05 0.00 0.00 55.36 53.83 2jtd s GLN 40 Cb -0.09 -1.82 -0.05 0.00 1.10 0.00 0.00 33.01 32.15 2jtd s GLN 40 CO 0.02 0.38 0.01 0.00 -0.55 0.00 0.00 175.29 175.15 2jtd s ALA 41 N -1.93 1.37 -0.26 1.58 0.00 -1.25 -3.90 121.76 117.37 2jtd s ALA 41 Ca 0.24 -1.60 0.19 0.00 0.00 0.00 0.00 51.96 50.78 2jtd s ALA 41 Cb -0.07 0.56 0.12 0.00 0.00 0.00 0.00 23.12 23.74 2jtd s ALA 41 CO 0.11 -0.32 1.37 1.05 0.00 0.00 0.00 175.76 177.97 2jtd h GLU 42 N 2.68 0.00 -5.12 0.00 4.11 -1.93 -3.43 114.58 110.89 2jtd h GLU 42 Ca -0.37 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.39 2jtd h GLU 42 Cb 1.21 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.13 2jtd h GLU 42 CO 0.63 0.24 -0.83 0.15 0.07 0.00 0.00 179.01 179.26 2jtd s LYS 43 N -3.09 3.09 -1.33 1.06 1.02 -1.26 -5.04 119.74 114.18 2jtd s LYS 43 Ca 0.04 -0.79 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 2jtd s LYS 43 Cb 0.07 -2.60 0.11 0.00 -0.52 0.00 0.00 37.83 34.89 2jtd s LYS 43 CO 0.73 -0.11 1.89 1.28 -0.92 0.00 0.00 175.35 178.23 2jtd n LEU 44 N 4.38 6.13 0.00 3.17 4.77 -1.26 -4.68 117.00 129.52 2jtd n LEU 44 Ca -0.20 -4.30 0.01 0.00 -0.03 0.00 0.00 56.01 51.49 2jtd n LEU 44 Cb 0.51 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2jtd n LEU 44 CO 0.27 0.93 0.38 -0.24 -1.33 0.00 0.00 177.39 177.40 2jtd n SER 45 N 5.83 -0.38 -3.57 -1.43 2.88 -1.26 -4.75 113.62 110.93 2jtd n SER 45 Ca 0.45 -1.05 -0.40 0.00 -1.33 0.00 0.00 58.87 56.54 2jtd n SER 45 Cb 0.40 0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 64.42 2jtd n SER 45 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jtd n SER 46 N -0.42 4.68 -0.05 -3.46 7.64 -1.26 -4.11 113.62 116.64 2jtd n SER 46 Ca 0.02 -2.70 -0.10 0.00 1.01 0.00 0.00 58.87 57.09 2jtd n SER 46 Cb 0.19 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 61.88 2jtd n SER 46 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jtd n ASN 47 N 5.70 1.32 -4.64 6.43 2.85 -1.26 -4.97 115.26 120.68 2jtd n ASN 47 Ca 0.56 0.09 -0.43 0.00 -0.11 0.00 0.00 54.58 54.69 2jtd n ASN 47 Cb 0.34 -0.28 -0.03 0.00 1.24 0.00 0.00 39.78 41.05 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtd s ALA 48 N -2.20 3.37 -0.67 5.20 0.00 -1.26 -4.92 121.76 121.29 2jtd s ALA 48 Ca -0.15 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.36 2jtd s ALA 48 Cb 0.05 -3.84 0.03 0.00 0.00 0.00 0.00 23.12 19.36 2jtd s ALA 48 CO 0.20 -1.81 1.23 0.15 0.00 0.00 0.00 175.76 175.53 2jtd s LYS 49 N 4.64 3.33 -0.27 0.00 -0.14 -0.39 -4.82 119.74 122.09 2jtd s LYS 49 Ca 0.79 -0.04 -0.02 0.00 -1.36 0.00 0.00 55.97 55.34 2jtd s LYS 49 Cb -0.32 -4.11 0.04 0.00 -1.68 0.00 0.00 37.83 31.76 2jtd s LYS 49 CO 0.32 -1.93 -0.04 0.08 -0.76 0.00 0.00 175.35 173.03 2jtd s VAL 50 N 5.33 2.90 -0.44 3.17 1.01 -1.26 -0.30 120.40 130.82 2jtd s VAL 50 Ca 0.38 -1.18 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 2jtd s VAL 50 Cb -0.08 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2jtd s VAL 50 CO 0.19 0.07 1.10 -0.44 0.00 0.00 0.00 175.10 176.02 2jtd s SER 51 N 1.29 6.68 -1.18 3.32 0.01 -1.11 -4.95 113.70 117.75 2jtd s SER 51 Ca -0.02 0.54 -0.20 0.00 1.31 0.00 0.00 55.95 57.58 2jtd s SER 51 Cb -0.18 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.57 2jtd s SER 51 CO -0.03 -1.15 1.64 -0.31 0.41 0.00 0.00 173.24 173.81 2jtd s TYR 52 N 4.20 2.64 -0.30 2.43 2.02 -1.26 -3.80 117.35 123.27 2jtd s TYR 52 Ca 0.46 -1.22 -0.08 0.00 -0.37 0.00 0.00 57.07 55.86 2jtd s TYR 52 Cb -0.09 -4.70 -0.00 0.00 -0.40 0.00 0.00 41.96 36.78 2jtd s TYR 52 CO 0.28 -1.83 0.12 0.42 -1.57 0.00 0.00 175.55 172.96 2jtd s ILE 53 N 4.87 4.34 -0.41 2.71 1.01 -1.16 -2.36 121.20 130.21 2jtd s ILE 53 Ca 0.52 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2jtd s ILE 53 Cb 0.02 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.37 2jtd s ILE 53 CO 0.01 0.08 0.21 0.12 0.00 0.00 0.00 174.94 175.37 2jtd s PHE 54 N 1.57 3.48 -1.35 3.97 5.36 0.11 -0.80 117.98 130.32 2jtd s PHE 54 Ca 0.04 -2.10 -0.03 0.00 -0.96 0.00 0.00 56.93 53.88 2jtd s PHE 54 Cb -0.17 -3.09 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 2jtd s PHE 54 CO 0.05 -0.93 0.79 -1.71 -1.46 0.00 0.00 175.22 171.95 2jtd n ASN 55 N 4.71 -2.14 0.00 6.13 4.05 0.22 -1.05 115.26 127.18 2jtd n ASN 55 Ca -0.06 -0.79 0.00 0.00 0.45 0.00 0.00 54.58 54.18 2jtd n ASN 55 Cb 0.42 -4.11 0.00 0.00 1.23 0.00 0.00 39.78 37.31 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 -4.38 -0.89 -4.28 1.20 1.02 -1.26 -4.96 120.64 107.09 2jtd n GLU 56 Ca -0.22 0.22 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2jtd n GLU 56 Cb 0.64 -3.92 -0.11 0.00 -0.02 0.00 0.00 31.44 28.03 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 -0.92 3.69 -0.34 3.49 -0.14 -0.21 -5.07 119.74 120.24 2jtd s LYS 57 Ca 0.00 -0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 2jtd s LYS 57 Cb 0.00 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 2jtd s LYS 57 CO 0.00 0.30 1.29 -1.21 -0.76 0.00 0.00 175.35 174.98 2jtd s GLU 58 N 0.22 3.85 0.41 1.68 2.02 -1.26 0.06 118.70 125.68 2jtd s GLU 58 Ca -0.00 1.12 0.05 0.00 0.02 0.00 0.00 54.97 56.16 2jtd s GLU 58 Cb -0.13 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.20 2jtd s GLU 58 CO 0.02 -1.20 0.58 0.96 0.02 0.00 0.00 175.26 175.63 2jtd s ILE 59 N 4.52 3.70 0.34 -1.63 -4.36 -0.99 -4.97 121.20 117.79 2jtd s ILE 59 Ca 0.56 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 60.15 2jtd s ILE 59 Cb -0.15 -3.31 -0.01 0.00 1.25 0.00 0.00 42.46 40.24 2jtd s ILE 59 CO 0.25 -0.16 0.11 2.22 0.24 0.00 0.00 174.94 177.61 2jtd n PHE 60 N -1.88 0.16 -2.60 1.37 1.16 -1.26 -4.93 117.46 109.48 2jtd n PHE 60 Ca 0.03 -2.15 -0.42 0.00 -1.87 0.00 0.00 57.45 53.03 2jtd n PHE 60 Cb 0.58 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 2jtd n PHE 60 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2jtd s GLU 61 N -3.29 4.46 0.00 3.97 2.12 -1.26 -4.80 118.70 119.89 2jtd s GLU 61 Ca 0.16 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.03 2jtd s GLU 61 Cb 0.01 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2jtd s GLU 61 CO 0.11 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 2jtd n GLY 62 N 3.11 5.48 0.30 -1.50 0.00 -0.01 -4.98 105.19 107.59 2jtd n GLY 62 Ca 0.08 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 1.05 0.00 1.61 0.11 -2.00 -3.32 132.00 129.44 2jtd h PRO 63 Ca 0.00 -0.36 -0.18 0.00 0.11 0.00 0.00 66.00 65.57 2jtd h PRO 63 Cb 0.00 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2jtd h PRO 63 CO 0.00 1.06 -1.01 -0.22 -0.21 0.00 0.00 178.00 177.62 2jtd h LYS 64 N 0.93 0.00 -5.86 1.05 3.64 -1.90 -3.43 116.57 111.01 2jtd h LYS 64 Ca 0.15 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.88 2jtd h LYS 64 Cb 0.63 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 2jtd h LYS 64 CO 0.04 0.87 1.90 0.71 -2.27 0.00 0.00 179.45 180.70 2jtd s TYR 65 N -2.32 2.75 -0.33 1.91 2.02 -1.25 -3.95 117.35 116.18 2jtd s TYR 65 Ca -0.26 -1.40 -0.11 0.00 -0.37 0.00 0.00 57.07 54.94 2jtd s TYR 65 Cb 0.04 -4.71 -0.00 0.00 -0.40 0.00 0.00 41.96 36.89 2jtd s TYR 65 CO 0.55 -1.82 0.19 0.21 -1.57 0.00 0.00 175.55 173.10 2jtd s LYS 66 N 4.29 3.30 0.18 -0.62 2.47 -1.26 -0.83 119.74 127.28 2jtd s LYS 66 Ca 0.50 -0.76 0.04 0.00 -1.56 0.00 0.00 55.97 54.20 2jtd s LYS 66 Cb 0.02 -3.67 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 2jtd s LYS 66 CO 0.01 -0.47 0.23 -1.64 0.16 0.00 0.00 175.35 173.64 2jtd s MET 67 N 1.64 3.18 -0.08 4.03 -1.94 -1.26 -2.26 119.30 122.61 2jtd s MET 67 Ca 0.05 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 2jtd s MET 67 Cb -0.17 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 2jtd s MET 67 CO 0.08 0.49 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.38 2jtd s HIS 68 N -1.81 2.64 0.32 -0.03 3.76 -0.64 -4.98 115.29 114.56 2jtd s HIS 68 Ca 0.33 -0.50 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 2jtd s HIS 68 Cb -0.10 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 2jtd s HIS 68 CO 0.26 -0.07 1.18 -1.50 -0.85 0.00 0.00 174.74 173.76 2jtd s ILE 69 N -0.22 3.17 0.58 0.60 1.10 -1.26 -4.35 121.20 120.83 2jtd s ILE 69 Ca -0.00 1.13 0.28 0.00 -0.51 0.00 0.00 60.65 61.55 2jtd s ILE 69 Cb -0.13 -3.70 0.37 0.00 0.15 0.00 0.00 42.46 39.14 2jtd s ILE 69 CO 0.03 0.23 2.04 -2.24 -2.11 0.00 0.00 174.94 172.90 2jtd h ASP 70 N 3.40 0.00 0.00 4.50 3.04 -1.95 -3.07 116.42 122.34 2jtd h ASP 70 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2jtd h ASP 70 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2jtd h ASP 70 CO 0.65 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 178.39 2jtd n ARG 71 N -3.84 0.85 0.00 4.15 1.74 -1.26 -2.22 116.66 116.07 2jtd n ARG 71 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2jtd n ARG 71 Cb 0.42 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 1.17 0.00 -0.02 0.55 3.02 -1.16 -4.93 115.26 113.89 2jtd n ASN 72 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2jtd n ASN 72 Cb 0.42 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 2jtd n ASN 72 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jtd n THR 73 N -1.87 0.00 -0.46 3.41 -2.24 -1.25 -4.95 114.28 106.92 2jtd n THR 73 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2jtd n THR 73 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2jtd n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtd n GLY 74 N 1.25 0.74 3.64 3.38 0.00 -0.94 -5.05 105.19 108.20 2jtd n GLY 74 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.93 3.77 -0.57 -0.61 -1.09 -1.26 -3.97 121.20 114.54 2jtd s ILE 75 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 2jtd s ILE 75 Cb 0.00 -2.75 0.15 0.00 -1.58 0.00 0.00 42.46 38.27 2jtd s ILE 75 CO 0.00 0.19 0.35 -0.63 -1.23 0.00 0.00 174.94 173.62 2jtd s ILE 76 N -1.21 3.21 0.04 2.92 1.01 -0.09 -4.38 121.20 122.70 2jtd s ILE 76 Ca 0.22 -3.08 -0.20 0.00 0.00 0.00 0.00 60.65 57.59 2jtd s ILE 76 Cb -0.11 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 2jtd s ILE 76 CO 0.14 -0.84 0.59 -1.61 0.00 0.00 0.00 174.94 173.23 2jtd s GLU 77 N -0.11 4.27 -0.35 2.79 8.01 -1.26 -2.06 118.70 129.98 2jtd s GLU 77 Ca 0.17 0.75 0.02 0.00 0.01 0.00 0.00 54.97 55.92 2jtd s GLU 77 Cb -0.23 -3.29 0.10 0.00 -4.31 0.00 0.00 34.13 26.41 2jtd s GLU 77 CO -0.02 0.51 0.09 1.41 0.01 0.00 0.00 175.26 177.26 2jtd s MET 78 N -0.66 1.25 -0.41 1.61 1.75 0.19 -1.62 119.30 121.41 2jtd s MET 78 Ca 0.30 -1.67 -0.26 0.00 -1.25 0.00 0.00 55.69 52.81 2jtd s MET 78 Cb -0.19 -2.76 0.02 0.00 2.84 0.00 0.00 34.83 34.74 2jtd s MET 78 CO 0.18 -0.98 0.95 0.12 -0.65 0.00 0.00 175.02 174.65 2jtd s PHE 79 N 1.02 3.00 0.22 4.11 5.36 -0.96 -3.07 117.98 127.66 2jtd s PHE 79 Ca 0.11 0.66 0.09 0.00 -0.96 0.00 0.00 56.93 56.84 2jtd s PHE 79 Cb -0.19 -3.83 -0.05 0.00 -0.34 0.00 0.00 43.02 38.61 2jtd s PHE 79 CO -0.13 -0.96 -0.18 -1.64 -1.46 0.00 0.00 175.22 170.86 2jtd s MET 80 N 3.67 1.43 -0.09 10.12 -1.94 -0.91 -3.99 119.30 127.60 2jtd s MET 80 Ca 0.39 -1.59 -0.14 0.00 -1.71 0.00 0.00 55.69 52.64 2jtd s MET 80 Cb -0.11 -1.42 0.03 0.00 2.01 0.00 0.00 34.83 35.34 2jtd s MET 80 CO 0.22 0.27 0.36 -1.83 -0.01 0.00 0.00 175.02 174.02 2jtd s GLU 81 N -3.31 0.55 -0.17 2.03 -1.05 -1.26 -0.39 118.70 115.09 2jtd s GLU 81 Ca 0.23 0.22 -0.35 0.00 -0.15 0.00 0.00 54.97 54.93 2jtd s GLU 81 Cb -0.04 0.25 -0.12 0.00 -0.44 0.00 0.00 34.13 33.79 2jtd s GLU 81 CO 0.09 -0.11 1.95 0.36 0.95 0.00 0.00 175.26 178.50 2jtd n LYS 82 N 2.18 1.83 0.00 -4.83 0.00 -1.26 -4.83 118.16 111.25 2jtd n LYS 82 Ca -0.17 0.64 -0.04 0.00 -0.00 0.00 0.00 58.31 58.74 2jtd n LYS 82 Cb 0.57 -2.59 -0.01 0.00 -0.00 0.00 0.00 35.03 32.99 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 7.53 0.94 0.00 -5.58 7.94 -1.26 -5.08 117.00 121.49 2jtd n LEU 83 Ca 0.27 0.14 -0.10 0.00 -1.11 0.00 0.00 56.01 55.21 2jtd n LEU 83 Cb 0.27 -0.32 0.03 0.00 0.53 0.00 0.00 43.42 43.93 2jtd n LEU 83 CO 0.74 -0.34 0.16 0.00 -1.11 0.00 0.00 177.39 176.84 2jtd n GLN 84 N -3.53 0.85 -0.07 1.96 3.00 -1.26 -5.03 117.38 113.29 2jtd n GLN 84 Ca -0.06 -1.57 -0.10 0.00 -0.01 0.00 0.00 57.00 55.25 2jtd n GLN 84 Cb 0.30 -0.08 -0.07 0.00 0.00 0.00 0.00 30.24 30.39 2jtd n GLN 84 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2jtd h ASP 85 N 0.09 0.00 -0.04 1.08 3.32 -1.98 -3.32 116.42 115.57 2jtd h ASP 85 Ca -0.14 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2jtd h ASP 85 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2jtd h ASP 85 CO 0.20 0.93 0.00 -1.84 -1.72 0.00 0.00 179.24 176.81 2jtd n GLU 86 N -4.62 1.15 0.15 3.56 0.00 -1.26 -3.25 120.64 116.36 2jtd n GLU 86 Ca -0.12 -0.23 0.13 0.00 0.00 0.00 0.00 57.16 56.94 2jtd n GLU 86 Cb 0.36 -1.27 0.43 0.00 0.00 0.00 0.00 31.44 30.96 2jtd n GLU 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2jtd h ASP 87 N 0.45 0.00 -3.22 -1.84 3.58 -1.97 -3.42 116.42 110.01 2jtd h ASP 87 Ca 0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 2jtd h ASP 87 Cb 0.10 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.00 2jtd h ASP 87 CO 0.00 0.00 -0.55 -0.70 -2.88 0.00 0.00 179.24 175.11 2jtd s GLU 88 N -3.24 3.84 0.00 0.28 2.56 -1.20 -4.90 118.70 116.04 2jtd s GLU 88 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.97 54.72 2jtd s GLU 88 Cb 0.10 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 33.05 2jtd s GLU 88 CO 0.54 0.37 0.00 0.41 -0.56 0.00 0.00 175.26 176.02 2jtd n GLY 89 N 3.22 3.12 3.49 -1.50 0.00 -0.97 -4.73 105.19 107.83 2jtd n GLY 89 Ca -0.17 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.46 4.72 -0.47 2.61 2.01 -1.26 -0.94 115.64 119.84 2jtd s THR 90 Ca 0.00 -0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 2jtd s THR 90 Cb 0.00 -4.34 0.03 0.00 0.01 0.00 0.00 72.50 68.19 2jtd s THR 90 CO 0.00 -0.84 1.08 -0.31 -0.69 0.00 0.00 174.62 173.86 2jtd s TYR 91 N 3.07 2.85 -0.36 4.92 1.51 0.13 0.70 117.35 130.18 2jtd s TYR 91 Ca 0.22 0.64 0.03 0.00 -1.01 0.00 0.00 57.07 56.95 2jtd s TYR 91 Cb -0.16 -4.29 0.10 0.00 -0.11 0.00 0.00 41.96 37.51 2jtd s TYR 91 CO 0.16 -1.21 0.09 0.99 -1.11 0.00 0.00 175.55 174.47 2jtd s THR 92 N 4.24 2.06 -0.22 -0.71 2.01 0.02 -0.16 115.64 122.88 2jtd s THR 92 Ca 0.45 -2.30 -0.02 0.00 0.31 0.00 0.00 61.69 60.13 2jtd s THR 92 Cb -0.08 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.93 2jtd s THR 92 CO 0.30 -0.64 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.13 2jtd s PHE 93 N 0.87 2.95 -0.36 4.92 0.40 -0.66 -2.99 117.98 123.12 2jtd s PHE 93 Ca 0.12 -1.34 -0.13 0.00 -0.60 0.00 0.00 56.93 54.98 2jtd s PHE 93 Cb -0.20 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.30 2jtd s PHE 93 CO -0.10 -0.68 0.24 1.14 0.70 0.00 0.00 175.22 176.52 2jtd s GLN 94 N 1.38 3.21 -0.51 0.44 -2.07 -1.25 -0.97 119.66 119.89 2jtd s GLN 94 Ca 0.04 -0.83 -0.18 0.00 -1.82 0.00 0.00 55.36 52.56 2jtd s GLN 94 Cb -0.15 -3.81 0.07 0.00 -1.09 0.00 0.00 33.01 28.04 2jtd s GLN 94 CO -0.06 -0.57 0.56 0.42 -1.32 0.00 0.00 175.29 174.32 2jtd s ILE 95 N 1.67 4.99 -1.16 3.63 1.01 0.83 -2.75 121.20 129.42 2jtd s ILE 95 Ca 0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2jtd s ILE 95 Cb -0.18 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.14 2jtd s ILE 95 CO 0.09 -0.80 1.44 -1.58 0.00 0.00 0.00 174.94 174.09 2jtd s GLN 96 N 2.28 3.93 -0.29 2.79 0.74 0.59 -0.57 119.66 129.13 2jtd s GLN 96 Ca 0.10 -2.17 -0.06 0.00 0.05 0.00 0.00 55.36 53.29 2jtd s GLN 96 Cb -0.22 -5.16 0.01 0.00 1.10 0.00 0.00 33.01 28.74 2jtd s GLN 96 CO 0.09 -1.91 0.05 0.34 -0.55 0.00 0.00 175.29 173.30 2jtd s ASP 97 N 3.47 4.96 0.00 6.67 2.15 -1.21 -1.27 116.67 131.45 2jtd s ASP 97 Ca 0.43 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2jtd s ASP 97 Cb -0.01 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 2jtd s ASP 97 CO -0.01 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 2jtd n GLY 98 N 4.82 1.81 2.03 2.66 0.00 -1.26 -3.86 105.19 111.38 2jtd n GLY 98 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jtd n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jtd n LYS 99 N 0.00 0.00 -2.21 1.61 3.00 -1.26 -5.11 118.16 114.19 2jtd n LYS 99 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 2jtd n LYS 99 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jtd s ALA 100 N -1.87 2.95 -0.41 3.14 0.00 -1.25 -4.99 121.76 119.32 2jtd s ALA 100 Ca 0.00 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 2jtd s ALA 100 Cb 0.00 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.78 2jtd s ALA 100 CO 0.00 -0.73 0.26 0.95 0.00 0.00 0.00 175.76 176.24 2jtd s THR 101 N -1.53 4.50 -0.82 0.00 -4.23 -1.26 -3.29 115.64 109.01 2jtd s THR 101 Ca 0.65 -1.14 -0.25 0.00 -1.18 0.00 0.00 61.69 59.77 2jtd s THR 101 Cb -0.29 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 69.91 2jtd s THR 101 CO 0.36 -0.41 1.60 -0.83 -0.54 0.00 0.00 174.62 174.79 2jtd s GLY 102 N 1.95 0.69 -0.41 3.99 0.00 0.27 -4.76 107.32 109.04 2jtd s GLY 102 Ca 0.03 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.16 2jtd s GLY 102 CO 0.05 3.01 0.26 -2.38 0.00 0.00 0.00 173.10 174.03 2jtd s HIS 103 N 7.18 3.31 -0.11 1.90 -3.43 -1.26 -0.12 115.29 122.76 2jtd s HIS 103 Ca 0.52 -1.35 -0.09 0.00 -0.80 0.00 0.00 55.06 53.35 2jtd s HIS 103 Cb -0.07 -2.85 -0.04 0.00 -1.43 0.00 0.00 32.58 28.19 2jtd s HIS 103 CO 0.06 -0.80 0.19 0.45 -2.00 0.00 0.00 174.74 172.64 2jtd s SER 104 N 2.03 6.45 -0.40 7.38 0.15 -0.14 -4.95 113.70 124.21 2jtd s SER 104 Ca 0.03 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.23 2jtd s SER 104 Cb -0.22 -2.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.10 2jtd s SER 104 CO 0.03 0.36 0.16 -0.89 1.20 0.00 0.00 173.24 174.11 2jtd s THR 105 N -0.86 1.72 -0.46 6.45 2.01 -1.25 -1.65 115.64 121.60 2jtd s THR 105 Ca 0.16 -2.37 -0.09 0.00 0.31 0.00 0.00 61.69 59.70 2jtd s THR 105 Cb -0.13 -2.24 0.11 0.00 0.01 0.00 0.00 72.50 70.26 2jtd s THR 105 CO 0.05 -0.75 0.32 -0.22 -0.69 0.00 0.00 174.62 173.33 2jtd s LEU 106 N 0.67 5.60 -0.35 4.42 1.98 0.77 -4.94 118.68 126.82 2jtd s LEU 106 Ca 0.14 -1.88 -0.22 0.00 -2.89 0.00 0.00 54.13 49.28 2jtd s LEU 106 Cb -0.22 -1.99 0.00 0.00 0.66 0.00 0.00 46.19 44.64 2jtd s LEU 106 CO -0.08 -0.67 0.71 0.54 -1.89 0.00 0.00 176.35 174.96 2jtd s VAL 107 N 1.35 4.82 -0.67 1.68 0.11 -1.26 0.21 120.40 126.64 2jtd s VAL 107 Ca 0.06 0.77 0.05 0.00 -2.93 0.00 0.00 61.98 59.93 2jtd s VAL 107 Cb -0.26 -4.13 0.16 0.00 -1.53 0.00 0.00 36.38 30.63 2jtd s VAL 107 CO -0.01 -0.34 0.46 -0.76 -3.33 0.00 0.00 175.10 171.12 2jtd s LEU 108 N 2.87 4.65 -0.01 2.54 1.43 -0.12 -4.33 118.68 125.71 2jtd s LEU 108 Ca 0.28 -3.71 0.00 0.00 -1.03 0.00 0.00 54.13 49.67 2jtd s LEU 108 Cb -0.14 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.49 2jtd s LEU 108 CO 0.15 -0.11 0.00 -0.63 0.23 0.00 0.00 176.35 175.99 2jtd s ILE 109 N -1.24 0.07 0.00 -0.59 1.01 -1.26 -2.29 121.20 116.90 2jtd s ILE 109 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2jtd s ILE 109 Cb -0.07 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.27 2jtd s ILE 109 CO -0.14 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2jtd n GLY 110 N 3.56 3.00 0.31 6.18 0.00 -1.26 0.17 105.19 117.15 2jtd n GLY 110 Ca -0.19 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2jtd n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jtd n ASP 111 N 9.26 1.07 0.05 1.61 5.68 -1.26 -3.82 116.55 129.14 2jtd n ASP 111 Ca 0.00 -1.11 -0.20 0.00 -0.50 0.00 0.00 54.79 52.98 2jtd n ASP 111 Cb 0.00 0.03 -0.14 0.00 -1.14 0.00 0.00 41.12 39.87 2jtd n ASP 111 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2jtd h VAL 112 N 1.51 0.92 0.00 2.12 2.07 -0.62 -3.22 116.25 119.03 2jtd h VAL 112 Ca 0.00 -2.57 -0.04 0.00 0.82 0.00 0.00 66.70 64.90 2jtd h VAL 112 Cb 0.44 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2jtd h VAL 112 CO 0.00 0.83 -0.21 0.10 0.02 0.00 0.00 177.57 178.30 2jtd h TYR 113 N 0.08 0.00 0.00 1.57 -0.00 -1.62 -1.39 116.97 115.61 2jtd h TYR 113 Ca -0.33 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.37 2jtd h TYR 113 Cb 2.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.78 2jtd h TYR 113 CO 0.08 0.21 -0.30 1.57 -0.00 0.00 0.00 178.16 179.72 2jtd h LYS 114 N 0.00 0.00 0.58 0.10 2.10 -1.73 -2.66 116.57 114.96 2jtd h LYS 114 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2jtd h LYS 114 Cb 0.47 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2jtd h LYS 114 CO 0.03 0.16 -0.28 -0.22 -2.00 0.00 0.00 179.45 177.13 2jtd h LYS 115 N 0.00 -0.75 0.00 0.07 3.64 -1.26 -2.92 116.57 115.35 2jtd h LYS 115 Ca -0.01 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jtd h LYS 115 Cb 1.13 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2jtd h LYS 115 CO 0.02 -0.50 0.00 1.28 -2.27 0.00 0.00 179.45 177.98 2jtd n LEU 116 N -4.74 0.57 0.27 5.20 4.32 -1.12 -2.39 117.00 119.11 2jtd n LEU 116 Ca -0.10 0.63 -0.16 0.00 -0.02 0.00 0.00 56.01 56.37 2jtd n LEU 116 Cb 0.31 -0.55 -0.08 0.00 -1.62 0.00 0.00 43.42 41.48 2jtd n LEU 116 CO 0.23 -0.48 0.62 -0.61 -1.22 0.00 0.00 177.39 175.93 2jtd h GLN 117 N 0.00 -0.65 -0.02 3.23 5.75 -1.37 -3.15 115.11 118.90 2jtd h GLN 117 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2jtd h GLN 117 Cb 0.37 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2jtd h GLN 117 CO 0.00 -0.38 0.00 1.63 -2.65 0.00 0.00 178.83 177.43 2jtd n LYS 118 N -5.33 1.77 0.26 1.69 5.02 -1.11 -1.48 118.16 118.98 2jtd n LYS 118 Ca -0.12 -1.12 0.17 0.00 -2.02 0.00 0.00 58.31 55.23 2jtd n LYS 118 Cb 0.30 -1.48 0.70 0.00 -0.02 0.00 0.00 35.03 34.54 2jtd n LYS 118 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jtd h GLU 119 N 2.71 0.00 0.00 1.97 5.08 -1.43 -3.32 114.58 119.59 2jtd h GLU 119 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jtd h GLU 119 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jtd h GLU 119 CO 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 179.01 177.61 2jtd n ALA 120 N -2.04 1.88 -3.15 3.43 0.00 -1.13 -4.93 120.51 114.57 2jtd n ALA 120 Ca 0.01 -0.35 -0.45 0.00 0.00 0.00 0.00 53.44 52.64 2jtd n ALA 120 Cb 0.27 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jtd s GLU 121 N -2.18 3.16 0.00 0.00 0.41 -0.55 -5.07 118.70 114.47 2jtd s GLU 121 Ca -0.12 -1.58 0.24 0.00 -0.41 0.00 0.00 54.97 53.11 2jtd s GLU 121 Cb 0.02 -4.35 0.30 0.00 -1.78 0.00 0.00 34.13 28.31 2jtd s GLU 121 CO 0.17 -1.50 1.32 1.97 -0.49 0.00 0.00 175.26 176.73