#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 2.78 -0.05 3.44 1.03 -1.26 -4.97 118.70 119.67 2jtd s GLU 2 Ca 0.00 0.70 -0.30 0.00 0.03 0.00 0.00 54.97 55.40 2jtd s GLU 2 Cb 0.00 -1.99 -0.04 0.00 -0.80 0.00 0.00 34.13 31.29 2jtd s GLU 2 CO 0.00 -1.14 1.40 -2.00 -1.33 0.00 0.00 175.26 172.19 2jtd s GLU 3 N -5.18 4.26 0.06 -4.83 -6.30 -1.26 -4.92 118.70 100.53 2jtd s GLU 3 Ca 0.58 1.92 -0.10 0.00 -2.50 0.00 0.00 54.97 54.87 2jtd s GLU 3 Cb -0.13 -3.69 -0.30 0.00 0.00 0.00 0.00 34.13 30.01 2jtd s GLU 3 CO 0.54 -0.64 1.09 1.98 0.02 0.00 0.00 175.26 178.24 2jtd h MET 4 N 8.20 0.43 0.00 4.30 1.85 -2.05 -3.36 114.93 124.31 2jtd h MET 4 Ca -0.35 -0.69 -0.01 0.00 -0.61 0.00 0.00 59.70 58.03 2jtd h MET 4 Cb 1.16 0.25 -0.00 0.00 0.43 0.00 0.00 31.60 33.44 2jtd h MET 4 CO 0.92 1.32 -0.06 0.87 -0.40 0.00 0.00 176.91 179.57 2jtd h LYS 5 N 0.14 0.00 -0.15 0.39 1.79 -2.01 -1.87 116.57 114.85 2jtd h LYS 5 Ca -0.19 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2jtd h LYS 5 Cb 2.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.67 2jtd h LYS 5 CO 0.24 0.06 0.28 0.07 -1.08 0.00 0.00 179.45 179.01 2jtd h ARG 6 N 0.00 0.00 0.00 3.15 0.11 -1.98 0.36 114.38 116.01 2jtd h ARG 6 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2jtd h ARG 6 Cb 0.13 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2jtd h ARG 6 CO 0.01 0.00 -0.54 -0.07 0.10 0.00 0.00 179.97 179.46 2jtd h LEU 7 N 0.00 0.00 0.07 0.08 -0.00 -1.61 -2.31 115.31 111.54 2jtd h LEU 7 Ca 0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.63 2jtd h LEU 7 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2jtd h LEU 7 CO -0.00 0.54 -1.76 -0.07 -0.00 0.00 0.00 178.44 177.15 2jtd h LEU 8 N 0.00 0.23 -0.75 1.67 3.38 -0.58 -3.35 115.31 115.91 2jtd h LEU 8 Ca -0.01 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2jtd h LEU 8 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2jtd h LEU 8 CO 0.07 1.41 -0.19 0.00 0.09 0.00 0.00 178.44 179.82 2jtd h ALA 9 N 0.56 0.95 -1.55 1.53 0.00 -0.92 -3.45 119.26 116.38 2jtd h ALA 9 Ca -0.32 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 2jtd h ALA 9 Cb 2.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2jtd h ALA 9 CO 0.10 0.23 1.33 -0.11 0.00 0.00 0.00 179.25 180.80 2jtd n LEU 10 N -3.24 2.73 -4.78 0.00 7.94 -0.87 -4.81 117.00 113.96 2jtd n LEU 10 Ca 0.01 0.54 -0.31 0.00 -1.11 0.00 0.00 56.01 55.14 2jtd n LEU 10 Cb 0.48 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 2jtd n LEU 10 CO 0.34 -0.54 -0.20 -0.44 -1.11 0.00 0.00 177.39 175.44 2jtd s SER 11 N 6.54 4.22 -0.05 1.96 0.01 -1.26 -5.05 113.70 120.06 2jtd s SER 11 Ca 1.03 -1.56 0.04 0.00 1.31 0.00 0.00 55.95 56.77 2jtd s SER 11 Cb -0.71 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 2jtd s SER 11 CO 0.48 -0.88 -0.16 -1.10 0.41 0.00 0.00 173.24 171.99 2jtd s GLN 12 N -3.94 2.50 -1.05 12.44 -0.21 -1.26 -5.07 119.66 123.06 2jtd s GLN 12 Ca 0.12 -0.73 -0.20 0.00 0.02 0.00 0.00 55.36 54.57 2jtd s GLN 12 Cb 0.01 -2.34 0.09 0.00 1.00 0.00 0.00 33.01 31.78 2jtd s GLN 12 CO 0.07 0.59 1.39 -1.83 -2.12 0.00 0.00 175.29 173.38 2jtd s GLU 13 N -0.64 3.71 -0.41 2.91 1.03 -1.26 -4.92 118.70 119.12 2jtd s GLU 13 Ca 0.10 -1.62 -0.03 0.00 0.03 0.00 0.00 54.97 53.45 2jtd s GLU 13 Cb -0.11 -5.21 0.11 0.00 -0.80 0.00 0.00 34.13 28.12 2jtd s GLU 13 CO 0.01 -2.03 0.20 -1.58 -1.33 0.00 0.00 175.26 170.53 2jtd s HIS 14 N 3.75 3.59 0.08 4.83 2.46 -1.26 -5.09 115.29 123.66 2jtd s HIS 14 Ca 0.43 -2.44 -0.22 0.00 0.47 0.00 0.00 55.06 53.30 2jtd s HIS 14 Cb -0.01 -3.22 -0.07 0.00 -0.13 0.00 0.00 32.58 29.15 2jtd s HIS 14 CO -0.06 -0.97 0.64 0.15 -2.47 0.00 0.00 174.74 172.03 2jtd s LYS 15 N 1.12 4.34 -0.12 2.88 1.02 -1.26 -5.00 119.74 122.72 2jtd s LYS 15 Ca 0.08 0.87 -0.20 0.00 0.02 0.00 0.00 55.97 56.75 2jtd s LYS 15 Cb -0.23 -3.27 -0.18 0.00 -0.52 0.00 0.00 37.83 33.63 2jtd s LYS 15 CO -0.04 0.54 0.58 0.74 -0.92 0.00 0.00 175.35 176.25 2jtd h PHE 16 N 4.77 -0.02 -2.97 3.18 0.04 -1.98 -3.46 116.94 116.49 2jtd h PHE 16 Ca -0.48 -0.00 -0.46 0.00 2.80 0.00 0.00 57.97 59.83 2jtd h PHE 16 Cb 1.21 0.01 0.04 0.00 2.20 0.00 0.00 35.95 39.40 2jtd h PHE 16 CO 0.66 0.63 -0.01 -1.25 -0.60 0.00 0.00 178.31 177.75 2jtd s PRO 17 N -2.20 2.96 0.25 1.51 0.04 -1.26 -5.11 135.00 131.19 2jtd s PRO 17 Ca -0.13 -0.39 -0.01 0.00 0.04 0.00 0.00 61.00 60.51 2jtd s PRO 17 Cb -0.02 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jtd s PRO 17 CO 0.48 -0.44 0.45 -0.08 0.04 0.00 0.00 177.00 177.44 2jtd s THR 18 N -2.70 5.16 -0.00 1.26 -1.32 -1.26 -5.06 115.64 111.72 2jtd s THR 18 Ca 0.51 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2jtd s THR 18 Cb -0.10 -3.77 -0.00 0.00 -1.51 0.00 0.00 72.50 67.12 2jtd s THR 18 CO 0.40 -0.29 -0.01 0.54 -2.21 0.00 0.00 174.62 173.05 2jtd s VAL 19 N -2.01 0.11 0.38 5.08 0.11 -1.26 -5.04 120.40 117.77 2jtd s VAL 19 Ca 0.39 -0.08 0.11 0.00 -2.93 0.00 0.00 61.98 59.47 2jtd s VAL 19 Cb -0.10 -0.10 0.33 0.00 -1.53 0.00 0.00 36.38 34.98 2jtd s VAL 19 CO 0.31 0.01 1.89 -0.65 -3.33 0.00 0.00 175.10 173.33 2jtd h PRO 20 N 6.07 0.57 0.00 1.54 0.11 -1.99 -3.42 132.00 134.88 2jtd h PRO 20 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2jtd h PRO 20 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jtd h PRO 20 CO 0.50 0.38 0.00 0.25 -0.21 0.00 0.00 178.00 178.92 2jtd n THR 21 N -4.52 0.00 -0.10 -1.15 -2.24 -1.26 -5.05 114.28 99.95 2jtd n THR 21 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2jtd n THR 21 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.60 -3.46 -0.78 4.76 -1.26 -5.05 118.16 113.97 2jtd n LYS 22 Ca 0.00 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 2jtd n LYS 22 Cb 0.00 -0.21 -0.10 0.00 -1.84 0.00 0.00 35.03 32.88 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 -0.23 6.11 -0.06 4.39 0.15 -1.22 -4.28 113.70 118.55 2jtd s SER 23 Ca 0.00 -0.78 -0.04 0.00 0.70 0.00 0.00 55.95 55.83 2jtd s SER 23 Cb 0.00 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2jtd s SER 23 CO 0.00 -0.42 0.15 -0.70 1.20 0.00 0.00 173.24 173.46 2jtd s GLU 24 N 1.74 0.13 -0.45 5.44 -6.30 -1.26 -3.75 118.70 114.23 2jtd s GLU 24 Ca 0.06 0.29 -0.21 0.00 -2.50 0.00 0.00 54.97 52.61 2jtd s GLU 24 Cb -0.18 -0.06 0.03 0.00 0.00 0.00 0.00 34.13 33.91 2jtd s GLU 24 CO 0.10 -0.10 0.67 -1.17 0.02 0.00 0.00 175.26 174.79 2jtd s LEU 25 N 0.67 4.51 -0.07 2.70 1.98 -1.26 -4.53 118.68 122.68 2jtd s LEU 25 Ca -0.05 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 50.80 2jtd s LEU 25 Cb -0.07 -2.72 -0.03 0.00 0.66 0.00 0.00 46.19 44.03 2jtd s LEU 25 CO -0.03 -0.83 -0.05 0.00 -1.89 0.00 0.00 176.35 173.55 2jtd s ALA 26 N 2.90 3.06 -0.07 5.97 0.00 -1.22 -4.90 121.76 127.50 2jtd s ALA 26 Ca 0.23 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2jtd s ALA 26 Cb -0.14 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2jtd s ALA 26 CO 0.19 0.58 -0.11 0.08 0.00 0.00 0.00 175.76 176.49 2jtd s VAL 27 N -0.83 1.08 -0.24 0.00 1.01 -1.26 -3.34 120.40 116.82 2jtd s VAL 27 Ca 0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2jtd s VAL 27 Cb -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2jtd s VAL 27 CO 0.02 0.34 -0.00 -1.61 0.00 0.00 0.00 175.10 173.85 2jtd s GLU 28 N 0.74 3.41 -0.26 2.72 2.02 -0.18 -4.98 118.70 122.16 2jtd s GLU 28 Ca -0.13 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 2jtd s GLU 28 Cb -0.16 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2jtd s GLU 28 CO 0.03 -0.22 0.14 0.42 0.02 0.00 0.00 175.26 175.65 2jtd s ILE 29 N 1.51 5.04 -0.27 -1.63 1.09 -1.26 0.74 121.20 126.42 2jtd s ILE 29 Ca 0.05 0.07 -0.12 0.00 -1.10 0.00 0.00 60.65 59.56 2jtd s ILE 29 Cb -0.15 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 2jtd s ILE 29 CO -0.01 0.31 0.25 -0.76 -0.10 0.00 0.00 174.94 174.63 2jtd s LEU 30 N 1.47 4.05 0.07 2.97 1.02 -0.11 -3.44 118.68 124.70 2jtd s LEU 30 Ca 0.07 0.13 0.21 0.00 0.02 0.00 0.00 54.13 54.55 2jtd s LEU 30 Cb -0.15 -2.23 0.85 0.00 0.02 0.00 0.00 46.19 44.68 2jtd s LEU 30 CO 0.07 -0.07 1.65 -1.84 0.02 0.00 0.00 176.35 176.18 2jtd n GLU 31 N 4.96 0.06 -0.27 1.70 -0.00 -1.26 -2.24 120.64 123.59 2jtd n GLU 31 Ca -0.12 0.22 0.10 0.00 -0.00 0.00 0.00 57.16 57.36 2jtd n GLU 31 Cb 0.52 -1.59 0.26 0.00 -0.00 0.00 0.00 31.44 30.63 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jtd n LYS 32 N -1.70 2.35 0.00 3.44 5.02 -1.26 -4.95 118.16 121.05 2jtd n LYS 32 Ca 0.04 -2.08 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 2jtd n LYS 32 Cb 0.24 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtd n GLY 33 N 1.43 -1.19 4.00 0.72 0.00 -0.95 -5.16 105.19 104.04 2jtd n GLY 33 Ca 0.20 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 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 2.70 -0.07 1.61 -1.52 -1.24 -4.73 119.66 116.41 2jtd s GLN 34 Ca 0.00 -1.35 0.05 0.00 -1.95 0.00 0.00 55.36 52.11 2jtd s GLN 34 Cb 0.00 -2.70 -0.00 0.00 -0.22 0.00 0.00 33.01 30.08 2jtd s GLN 34 CO 0.00 -0.38 -0.22 0.54 -0.25 0.00 0.00 175.29 174.98 2jtd s VAL 35 N -2.42 1.88 -0.27 1.09 0.11 -0.91 -0.93 120.40 118.96 2jtd s VAL 35 Ca 0.55 -0.95 -0.09 0.00 -2.93 0.00 0.00 61.98 58.56 2jtd s VAL 35 Cb -0.09 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2jtd s VAL 35 CO 0.34 0.52 0.13 -0.60 -3.33 0.00 0.00 175.10 172.16 2jtd s ARG 36 N 0.08 3.81 -0.17 1.54 3.52 0.23 -3.15 118.95 124.81 2jtd s ARG 36 Ca -0.09 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2jtd s ARG 36 Cb -0.15 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2jtd s ARG 36 CO 0.05 -0.18 -0.14 0.12 -0.81 0.00 0.00 175.30 174.33 2jtd s PHE 37 N 1.69 2.82 -0.00 5.12 2.19 -0.79 -1.01 117.98 128.00 2jtd s PHE 37 Ca 0.07 -1.17 -0.16 0.00 0.33 0.00 0.00 56.93 55.99 2jtd s PHE 37 Cb -0.16 -1.94 0.03 0.00 -1.31 0.00 0.00 43.02 39.64 2jtd s PHE 37 CO 0.08 -0.57 0.35 1.67 1.83 0.00 0.00 175.22 178.58 2jtd s TRP 38 N 1.07 -0.22 0.05 10.12 1.48 -1.21 0.33 118.94 130.56 2jtd s TRP 38 Ca -0.00 0.29 -0.15 0.00 -1.06 0.00 0.00 56.10 55.17 2jtd s TRP 38 Cb -0.14 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.33 2jtd s TRP 38 CO -0.04 -0.45 0.35 0.00 -4.06 0.00 0.00 176.95 172.75 2jtd s MET 39 N -1.66 0.88 -0.21 3.25 0.23 0.45 -3.43 119.30 118.82 2jtd s MET 39 Ca -0.11 -0.48 -0.07 0.00 -1.03 0.00 0.00 55.69 54.00 2jtd s MET 39 Cb -0.03 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 2jtd s MET 39 CO 0.03 -0.30 0.06 -1.14 -2.03 0.00 0.00 175.02 171.64 2jtd s GLN 40 N -2.69 3.81 -0.23 3.16 0.74 -1.26 -0.69 119.66 122.50 2jtd s GLN 40 Ca -0.04 -0.42 -0.02 0.00 0.05 0.00 0.00 55.36 54.94 2jtd s GLN 40 Cb -0.00 -3.23 0.07 0.00 1.10 0.00 0.00 33.01 30.94 2jtd s GLN 40 CO -0.04 0.08 0.04 0.00 -0.55 0.00 0.00 175.29 174.82 2jtd s ALA 41 N 0.89 1.26 0.36 1.58 0.00 0.16 -3.44 121.76 122.57 2jtd s ALA 41 Ca 0.03 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.05 2jtd s ALA 41 Cb -0.14 -1.33 0.70 0.00 0.00 0.00 0.00 23.12 22.35 2jtd s ALA 41 CO 0.02 -1.32 1.84 1.05 0.00 0.00 0.00 175.76 177.36 2jtd h GLU 42 N 8.17 0.15 -4.90 0.00 4.11 -1.92 -3.40 114.58 116.79 2jtd h GLU 42 Ca -0.16 -0.05 -0.65 0.00 0.07 0.00 0.00 59.36 58.58 2jtd h GLU 42 Cb 1.08 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.13 2jtd h GLU 42 CO 0.38 0.42 -0.55 0.15 0.07 0.00 0.00 179.01 179.48 2jtd s LYS 43 N -4.42 3.79 -0.18 1.06 -0.14 -1.26 -4.95 119.74 113.64 2jtd s LYS 43 Ca -0.04 -0.41 0.16 0.00 -1.36 0.00 0.00 55.97 54.32 2jtd s LYS 43 Cb 0.15 -3.56 0.55 0.00 -1.68 0.00 0.00 37.83 33.29 2jtd s LYS 43 CO 0.74 -0.21 1.45 1.47 -0.76 0.00 0.00 175.35 178.03 2jtd n LEU 44 N 5.02 4.05 -4.91 3.17 -0.00 -1.26 -4.76 117.00 118.31 2jtd n LEU 44 Ca -0.15 -2.97 -0.27 0.00 -0.00 0.00 0.00 56.01 52.63 2jtd n LEU 44 Cb 0.51 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2jtd n LEU 44 CO 0.33 0.67 0.43 -0.55 -0.00 0.00 0.00 177.39 178.27 2jtd s SER 45 N -1.78 6.20 0.00 1.45 0.15 -1.26 -4.94 113.70 113.53 2jtd s SER 45 Ca 0.43 0.87 0.08 0.00 0.70 0.00 0.00 55.95 58.03 2jtd s SER 45 Cb 0.34 -2.18 0.35 0.00 -1.71 0.00 0.00 66.02 62.82 2jtd s SER 45 CO 0.10 -0.61 1.20 -1.20 1.20 0.00 0.00 173.24 173.94 2jtd n SER 46 N -2.26 0.00 -0.09 5.45 7.64 -1.26 -1.36 113.62 121.74 2jtd n SER 46 Ca 0.01 0.40 -0.09 0.00 1.01 0.00 0.00 58.87 60.20 2jtd n SER 46 Cb 0.55 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 63.37 2jtd n SER 46 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2jtd h ASN 47 N 0.00 0.83 -1.02 6.43 4.21 -1.93 -3.35 115.58 120.75 2jtd h ASN 47 Ca 0.00 -0.33 -0.58 0.00 1.21 0.00 0.00 56.30 56.60 2jtd h ASN 47 Cb 0.11 -0.23 -0.09 0.00 -1.12 0.00 0.00 38.32 36.99 2jtd h ASN 47 CO 0.00 1.07 1.53 0.00 -1.29 0.00 0.00 177.43 178.73 2jtd s ALA 48 N -4.49 2.68 -0.42 -0.83 0.00 -0.46 -4.79 121.76 113.45 2jtd s ALA 48 Ca -0.10 -2.29 -0.29 0.00 0.00 0.00 0.00 51.96 49.29 2jtd s ALA 48 Cb 0.12 -4.55 0.02 0.00 0.00 0.00 0.00 23.12 18.71 2jtd s ALA 48 CO 0.85 -3.72 1.25 -1.59 0.00 0.00 0.00 175.76 172.55 2jtd s LYS 49 N 5.09 3.71 -0.43 0.00 -2.85 -0.78 -4.84 119.74 119.64 2jtd s LYS 49 Ca 0.50 0.81 -0.10 0.00 -1.00 0.00 0.00 55.97 56.19 2jtd s LYS 49 Cb -0.00 -3.94 0.08 0.00 -2.06 0.00 0.00 37.83 31.92 2jtd s LYS 49 CO -0.06 -1.39 0.28 0.08 0.10 0.00 0.00 175.35 174.37 2jtd s VAL 50 N 4.75 4.32 -0.30 1.79 1.01 -1.26 -2.01 120.40 128.70 2jtd s VAL 50 Ca 0.54 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2jtd s VAL 50 Cb -0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2jtd s VAL 50 CO 0.30 -0.55 0.23 -0.44 0.00 0.00 0.00 175.10 174.63 2jtd s SER 51 N 2.25 6.06 -1.02 3.32 0.01 -1.21 -5.01 113.70 118.10 2jtd s SER 51 Ca 0.03 -0.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.93 2jtd s SER 51 Cb -0.24 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2jtd s SER 51 CO 0.02 -0.13 1.63 -0.31 0.41 0.00 0.00 173.24 174.86 2jtd s TYR 52 N 1.78 2.32 -0.21 2.43 2.02 -1.26 -4.14 117.35 120.29 2jtd s TYR 52 Ca 0.07 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2jtd s TYR 52 Cb -0.16 -4.49 -0.00 0.00 -0.40 0.00 0.00 41.96 36.90 2jtd s TYR 52 CO 0.11 -1.84 -0.07 0.42 -1.57 0.00 0.00 175.55 172.59 2jtd s ILE 53 N 6.61 3.13 -0.25 2.71 -1.09 -1.24 -2.42 121.20 128.65 2jtd s ILE 53 Ca 0.54 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 2jtd s ILE 53 Cb -0.02 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.51 2jtd s ILE 53 CO -0.05 0.45 -0.11 0.12 -1.23 0.00 0.00 174.94 174.11 2jtd s PHE 54 N 1.39 3.19 -1.30 3.97 5.36 0.65 -1.27 117.98 129.98 2jtd s PHE 54 Ca 0.05 -2.17 -0.02 0.00 -0.96 0.00 0.00 56.93 53.83 2jtd s PHE 54 Cb -0.14 -1.94 -0.00 0.00 -0.34 0.00 0.00 43.02 40.59 2jtd s PHE 54 CO -0.05 -0.86 0.68 -1.71 -1.46 0.00 0.00 175.22 171.82 2jtd n ASN 55 N 4.48 -1.57 0.00 6.13 2.85 -0.43 -1.21 115.26 125.51 2jtd n ASN 55 Ca -0.15 -0.86 0.00 0.00 -0.11 0.00 0.00 54.58 53.46 2jtd n ASN 55 Cb 0.43 -3.92 0.00 0.00 1.24 0.00 0.00 39.78 37.54 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 -4.24 -0.56 -4.67 1.20 1.02 -1.26 -4.96 120.64 107.17 2jtd n GLU 56 Ca -0.28 0.14 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 2jtd n GLU 56 Cb 0.67 -3.84 -0.13 0.00 -0.02 0.00 0.00 31.44 28.12 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 -0.82 3.27 0.11 3.49 -0.14 -0.35 -5.09 119.74 120.21 2jtd s LYS 57 Ca 0.00 -0.62 -0.31 0.00 -1.36 0.00 0.00 55.97 53.68 2jtd s LYS 57 Cb 0.00 -2.67 -0.07 0.00 -1.68 0.00 0.00 37.83 33.41 2jtd s LYS 57 CO 0.00 0.34 1.24 -1.21 -0.76 0.00 0.00 175.35 174.96 2jtd s GLU 58 N 0.05 4.42 0.22 1.68 2.02 -1.26 -0.25 118.70 125.57 2jtd s GLU 58 Ca -0.03 1.88 0.07 0.00 0.02 0.00 0.00 54.97 56.91 2jtd s GLU 58 Cb -0.14 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2jtd s GLU 58 CO 0.04 -0.25 0.10 0.96 0.02 0.00 0.00 175.26 176.13 2jtd s ILE 59 N 0.70 4.11 0.29 -1.63 -4.36 -1.02 -4.94 121.20 114.35 2jtd s ILE 59 Ca 0.58 -1.43 0.09 0.00 -0.26 0.00 0.00 60.65 59.64 2jtd s ILE 59 Cb -0.32 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.19 2jtd s ILE 59 CO 0.32 -0.24 0.03 0.72 0.24 0.00 0.00 174.94 176.00 2jtd s PHE 60 N -1.99 2.69 0.31 1.37 -0.71 -1.26 -4.96 117.98 113.42 2jtd s PHE 60 Ca 0.31 -0.27 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 2jtd s PHE 60 Cb -0.08 -1.30 -0.09 0.00 -1.21 0.00 0.00 43.02 40.33 2jtd s PHE 60 CO 0.22 0.56 0.84 -2.00 -1.34 0.00 0.00 175.22 173.50 2jtd s GLU 61 N -3.71 4.34 0.00 1.99 2.12 -1.26 -4.63 118.70 117.56 2jtd s GLU 61 Ca 0.33 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2jtd s GLU 61 Cb -0.05 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.65 2jtd s GLU 61 CO 0.20 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2jtd n GLY 62 N 0.31 1.22 0.25 -1.50 0.00 0.13 -4.91 105.19 100.69 2jtd n GLY 62 Ca 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 1.61 0.11 -2.01 -3.23 132.00 128.47 2jtd h PRO 63 Ca 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.76 2jtd h PRO 63 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2jtd h PRO 63 CO 0.00 0.06 -2.33 1.17 -0.21 0.00 0.00 178.00 176.69 2jtd n LYS 64 N -3.15 0.83 -5.03 1.05 0.00 -1.26 -4.85 118.16 105.75 2jtd n LYS 64 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 58.31 58.02 2jtd n LYS 64 Cb 0.41 -1.50 -0.17 0.00 0.00 0.00 0.00 35.03 33.78 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jtd s TYR 65 N -2.48 2.21 -0.08 5.64 2.02 -1.22 -3.65 117.35 119.79 2jtd s TYR 65 Ca -0.10 -0.86 -0.03 0.00 -0.37 0.00 0.00 57.07 55.71 2jtd s TYR 65 Cb 0.06 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2jtd s TYR 65 CO 0.79 -0.36 0.07 0.21 -1.57 0.00 0.00 175.55 174.69 2jtd s LYS 66 N 0.38 -0.00 0.17 -0.62 2.47 -0.81 0.21 119.74 121.54 2jtd s LYS 66 Ca -0.16 0.23 0.06 0.00 -1.56 0.00 0.00 55.97 54.54 2jtd s LYS 66 Cb -0.17 -0.91 -0.04 0.00 -1.46 0.00 0.00 37.83 35.25 2jtd s LYS 66 CO 0.07 -0.43 -0.13 0.00 0.16 0.00 0.00 175.35 175.03 2jtd s MET 67 N 2.15 1.16 -0.14 4.03 0.23 -1.26 0.31 119.30 125.79 2jtd s MET 67 Ca 0.04 -1.47 -0.02 0.00 -1.03 0.00 0.00 55.69 53.21 2jtd s MET 67 Cb -0.13 -0.88 0.04 0.00 -1.53 0.00 0.00 34.83 32.33 2jtd s MET 67 CO -0.05 0.14 0.00 -1.01 -2.03 0.00 0.00 175.02 172.07 2jtd s HIS 68 N -2.97 1.00 -0.71 3.16 3.76 -0.65 -5.00 115.29 113.89 2jtd s HIS 68 Ca 0.18 -0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 54.33 2jtd s HIS 68 Cb -0.00 -0.99 0.18 0.00 1.11 0.00 0.00 32.58 32.88 2jtd s HIS 68 CO 0.04 -0.50 0.65 -1.50 -0.85 0.00 0.00 174.74 172.58 2jtd s ILE 69 N 1.86 5.40 -0.08 0.60 1.10 -1.26 -3.70 121.20 125.13 2jtd s ILE 69 Ca 0.02 -2.12 0.01 0.00 -0.51 0.00 0.00 60.65 58.05 2jtd s ILE 69 Cb -0.15 -4.38 -0.03 0.00 0.15 0.00 0.00 42.46 38.05 2jtd s ILE 69 CO -0.07 -0.96 -0.10 -0.62 -2.11 0.00 0.00 174.94 171.08 2jtd s ASP 70 N 2.66 4.39 0.00 4.50 -1.08 -1.26 -5.00 116.67 120.88 2jtd s ASP 70 Ca 0.12 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.24 2jtd s ASP 70 Cb -0.18 -1.17 0.17 0.00 -1.46 0.00 0.00 42.92 40.28 2jtd s ASP 70 CO -0.04 0.32 1.15 0.54 0.52 0.00 0.00 175.17 177.66 2jtd n ARG 71 N 2.51 1.85 0.00 4.34 3.00 -1.26 -4.07 116.66 123.03 2jtd n ARG 71 Ca -0.18 -1.73 0.08 0.00 -0.01 0.00 0.00 57.85 56.01 2jtd n ARG 71 Cb 0.53 -1.39 -0.14 0.00 0.00 0.00 0.00 32.46 31.46 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 1.15 0.19 -0.08 0.55 3.02 -1.26 -4.58 115.26 114.25 2jtd n ASN 72 Ca 0.12 0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.62 2jtd n ASN 72 Cb 0.51 1.52 -0.07 0.00 -0.61 0.00 0.00 39.78 41.14 2jtd n ASN 72 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jtd n THR 73 N -2.42 0.87 -0.49 3.41 -2.24 -1.26 -5.01 114.28 107.14 2jtd n THR 73 Ca -0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2jtd n THR 73 Cb 0.65 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.54 0.75 3.22 3.38 0.00 -1.26 -5.03 105.19 108.79 2jtd n GLY 74 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.89 3.12 -0.37 -0.61 -1.09 -1.26 -0.66 121.20 117.44 2jtd s ILE 75 Ca 0.00 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.19 2jtd s ILE 75 Cb 0.00 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 2jtd s ILE 75 CO 0.00 0.11 0.60 -0.63 -1.23 0.00 0.00 174.94 173.79 2jtd s ILE 76 N 1.35 4.92 0.10 2.92 1.01 0.13 -4.74 121.20 126.89 2jtd s ILE 76 Ca -0.00 0.43 0.10 0.00 0.00 0.00 0.00 60.65 61.17 2jtd s ILE 76 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2jtd s ILE 76 CO -0.02 -0.32 -0.25 -1.61 0.00 0.00 0.00 174.94 172.73 2jtd s GLU 77 N 2.62 1.41 -0.01 2.79 2.02 -1.24 -0.41 118.70 125.87 2jtd s GLU 77 Ca 0.22 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2jtd s GLU 77 Cb -0.15 -1.75 0.01 0.00 0.10 0.00 0.00 34.13 32.34 2jtd s GLU 77 CO 0.15 0.42 0.00 1.41 0.02 0.00 0.00 175.26 177.27 2jtd s MET 78 N -1.78 0.07 -0.17 1.61 1.75 0.15 -1.64 119.30 119.29 2jtd s MET 78 Ca 0.11 0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.58 2jtd s MET 78 Cb -0.10 -0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.38 2jtd s MET 78 CO 0.04 -0.06 -0.09 0.12 -0.65 0.00 0.00 175.02 174.38 2jtd s PHE 79 N 0.46 2.88 0.24 4.11 5.36 0.15 -1.88 117.98 129.30 2jtd s PHE 79 Ca -0.04 -0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 55.12 2jtd s PHE 79 Cb -0.06 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2jtd s PHE 79 CO -0.01 -0.37 0.22 -1.64 -1.46 0.00 0.00 175.22 171.96 2jtd s MET 80 N 0.85 1.39 0.00 10.12 -1.94 -1.19 -1.92 119.30 126.62 2jtd s MET 80 Ca -0.03 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 2jtd s MET 80 Cb -0.15 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.00 2jtd s MET 80 CO 0.01 -0.49 0.00 -0.85 -0.01 0.00 0.00 175.02 173.67 2jtd n GLU 81 N -0.37 0.00 -2.92 2.03 0.28 -1.24 -2.13 120.64 116.29 2jtd n GLU 81 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.76 2jtd n GLU 81 Cb 0.65 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.51 2jtd n GLU 81 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2jtd s LYS 82 N -1.83 3.55 0.00 3.44 3.01 -1.26 -4.93 119.74 121.72 2jtd s LYS 82 Ca 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 55.97 55.02 2jtd s LYS 82 Cb 0.00 -2.48 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 2jtd s LYS 82 CO 0.00 -0.06 0.00 -0.11 0.51 0.00 0.00 175.35 175.69 2jtd n LEU 83 N -1.94 0.00 0.00 3.17 7.94 -1.26 -4.97 117.00 119.93 2jtd n LEU 83 Ca -0.01 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.87 2jtd n LEU 83 Cb 0.55 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.50 2jtd n LEU 83 CO 0.51 0.00 -0.01 0.00 -1.11 0.00 0.00 177.39 176.78 2jtd n GLN 84 N -0.41 1.17 -0.18 1.96 6.02 -1.26 -5.03 117.38 119.65 2jtd n GLN 84 Ca 0.00 -0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 56.68 2jtd n GLN 84 Cb 0.00 0.11 0.01 0.00 1.02 0.00 0.00 30.24 31.38 2jtd n GLN 84 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jtd h ASP 85 N 0.10 0.66 1.41 1.08 5.19 -2.02 -2.64 116.42 120.20 2jtd h ASP 85 Ca -0.02 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2jtd h ASP 85 Cb 0.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2jtd h ASP 85 CO 0.04 0.59 0.00 1.05 -3.12 0.00 0.00 179.24 177.80 2jtd h GLU 86 N 0.67 0.00 0.08 3.56 4.11 -2.03 -3.19 114.58 117.78 2jtd h GLU 86 Ca 0.17 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.36 2jtd h GLU 86 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jtd h GLU 86 CO -0.02 0.00 -1.13 -0.44 0.07 0.00 0.00 179.01 177.49 2jtd h ASP 87 N 0.00 0.31 -3.59 3.06 3.32 -1.87 -3.42 116.42 114.22 2jtd h ASP 87 Ca 0.00 -0.32 -0.64 0.00 0.02 0.00 0.00 57.03 56.09 2jtd h ASP 87 Cb 0.71 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.01 2jtd h ASP 87 CO 0.00 1.23 -0.01 -1.61 -1.72 0.00 0.00 179.24 177.13 2jtd s GLU 88 N -2.75 3.62 0.00 3.56 8.01 -1.18 -4.95 118.70 125.00 2jtd s GLU 88 Ca -0.03 -0.12 0.00 0.00 0.01 0.00 0.00 54.97 54.83 2jtd s GLU 88 Cb 0.08 -3.81 0.00 0.00 -4.31 0.00 0.00 34.13 26.09 2jtd s GLU 88 CO 0.86 -0.67 0.00 0.41 0.01 0.00 0.00 175.26 175.87 2jtd n GLY 89 N 4.77 3.16 3.49 -1.39 0.00 -1.13 -4.77 105.19 109.32 2jtd n GLY 89 Ca -0.04 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.27 4.89 -0.15 2.61 2.01 -1.26 -0.69 115.64 123.33 2jtd s THR 90 Ca 0.00 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 2jtd s THR 90 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2jtd s THR 90 CO 0.00 -0.64 0.52 -0.31 -0.69 0.00 0.00 174.62 173.50 2jtd s TYR 91 N 2.62 3.46 -0.26 4.92 1.51 -0.00 -1.32 117.35 128.28 2jtd s TYR 91 Ca 0.18 0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 57.11 2jtd s TYR 91 Cb -0.16 -2.63 0.08 0.00 -0.11 0.00 0.00 41.96 39.14 2jtd s TYR 91 CO 0.15 0.05 0.05 0.99 -1.11 0.00 0.00 175.55 175.68 2jtd s THR 92 N 1.06 0.89 -0.38 -0.71 2.01 -0.39 -0.47 115.64 117.64 2jtd s THR 92 Ca 0.26 -1.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 2jtd s THR 92 Cb -0.15 -1.50 0.06 0.00 0.01 0.00 0.00 72.50 70.92 2jtd s THR 92 CO 0.11 -0.42 0.19 -0.36 -0.69 0.00 0.00 174.62 173.44 2jtd s PHE 93 N 1.65 3.32 -0.34 4.92 0.40 -0.51 -3.64 117.98 123.78 2jtd s PHE 93 Ca 0.04 -1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 54.68 2jtd s PHE 93 Cb -0.17 -2.68 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 2jtd s PHE 93 CO -0.16 -0.80 0.29 -1.14 0.70 0.00 0.00 175.22 174.11 2jtd s GLN 94 N 1.39 3.55 -0.17 0.44 0.74 -1.26 -0.95 119.66 123.40 2jtd s GLN 94 Ca 0.01 -0.52 -0.02 0.00 0.05 0.00 0.00 55.36 54.89 2jtd s GLN 94 Cb -0.21 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.09 2jtd s GLN 94 CO 0.02 -0.46 -0.09 0.42 -0.55 0.00 0.00 175.29 174.62 2jtd s ILE 95 N 1.86 3.17 -0.41 -2.34 1.09 -1.13 -3.34 121.20 120.11 2jtd s ILE 95 Ca 0.09 -0.59 -0.07 0.00 -1.10 0.00 0.00 60.65 58.97 2jtd s ILE 95 Cb -0.17 -2.39 0.08 0.00 -1.06 0.00 0.00 42.46 38.93 2jtd s ILE 95 CO 0.11 0.48 0.23 -1.58 -0.10 0.00 0.00 174.94 174.08 2jtd s GLN 96 N 0.88 2.47 -0.05 2.79 0.74 -0.85 -1.38 119.66 124.26 2jtd s GLN 96 Ca -0.02 -1.52 0.15 0.00 0.05 0.00 0.00 55.36 54.01 2jtd s GLN 96 Cb -0.15 -3.69 0.46 0.00 1.10 0.00 0.00 33.01 30.73 2jtd s GLN 96 CO 0.00 -0.95 1.38 -0.40 -0.55 0.00 0.00 175.29 174.78 2jtd n ASP 97 N 4.83 3.55 0.00 6.67 5.75 -1.18 -1.86 116.55 134.30 2jtd n ASP 97 Ca -0.09 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2jtd n ASP 97 Cb 0.43 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2jtd n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jtd n GLY 98 N 0.55 0.35 0.21 6.12 0.00 -1.26 -4.83 105.19 106.33 2jtd n GLY 98 Ca 0.17 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 2jtd n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtd h LYS 99 N 0.00 0.72 -6.87 1.61 3.64 -2.02 -3.44 116.57 110.21 2jtd h LYS 99 Ca 0.00 -0.65 -0.45 0.00 -1.27 0.00 0.00 60.65 58.27 2jtd h LYS 99 Cb 0.00 0.16 0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2jtd h LYS 99 CO 0.00 1.25 -0.00 0.00 -2.27 0.00 0.00 179.45 178.43 2jtd s ALA 100 N -3.58 3.70 -0.12 5.00 0.00 -1.26 -5.10 121.76 120.39 2jtd s ALA 100 Ca -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 2jtd s ALA 100 Cb 0.08 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 21.03 2jtd s ALA 100 CO 0.90 -0.68 0.06 0.95 0.00 0.00 0.00 175.76 177.00 2jtd s THR 101 N -2.76 0.04 -1.36 0.00 -4.23 -1.26 -3.12 115.64 102.94 2jtd s THR 101 Ca 0.54 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 2jtd s THR 101 Cb -0.10 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.29 2jtd s THR 101 CO 0.40 -0.07 1.93 0.61 -0.54 0.00 0.00 174.62 176.95 2jtd n GLY 102 N 5.24 3.31 3.66 3.99 0.00 -0.48 -4.89 105.19 116.01 2jtd n GLY 102 Ca -0.06 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 3.82 3.22 0.05 1.61 -3.43 -1.26 -2.83 115.29 116.47 2jtd s HIS 103 Ca 0.51 0.10 0.02 0.00 -0.80 0.00 0.00 55.06 54.89 2jtd s HIS 103 Cb 0.08 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 29.26 2jtd s HIS 103 CO 0.01 0.30 -0.07 0.45 -2.00 0.00 0.00 174.74 173.43 2jtd s SER 104 N -0.23 0.83 -0.11 7.38 0.15 -0.13 -4.85 113.70 116.74 2jtd s SER 104 Ca 0.07 -0.66 -0.01 0.00 0.70 0.00 0.00 55.95 56.05 2jtd s SER 104 Cb -0.12 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2jtd s SER 104 CO 0.02 -0.29 -0.07 -0.89 1.20 0.00 0.00 173.24 173.21 2jtd s THR 105 N -1.97 0.98 -0.16 6.45 2.01 -1.26 -1.42 115.64 120.26 2jtd s THR 105 Ca -0.05 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2jtd s THR 105 Cb -0.06 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.48 2jtd s THR 105 CO -0.01 0.34 0.01 -0.22 -0.69 0.00 0.00 174.62 174.04 2jtd s LEU 106 N 1.73 1.11 -0.19 4.42 1.98 0.37 -5.01 118.68 123.09 2jtd s LEU 106 Ca 0.05 -0.62 -0.08 0.00 -2.89 0.00 0.00 54.13 50.59 2jtd s LEU 106 Cb -0.13 -0.61 -0.04 0.00 0.66 0.00 0.00 46.19 46.07 2jtd s LEU 106 CO -0.08 -0.26 0.07 0.54 -1.89 0.00 0.00 176.35 174.73 2jtd s VAL 107 N 1.85 4.78 -0.32 1.68 0.11 -1.26 -0.82 120.40 126.40 2jtd s VAL 107 Ca 0.01 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2jtd s VAL 107 Cb -0.16 -3.17 0.09 0.00 -1.53 0.00 0.00 36.38 31.62 2jtd s VAL 107 CO -0.07 0.44 0.02 -0.76 -3.33 0.00 0.00 175.10 171.40 2jtd s LEU 108 N 0.58 4.42 -0.16 2.54 1.43 0.14 -4.47 118.68 123.15 2jtd s LEU 108 Ca 0.04 -1.99 -0.08 0.00 -1.03 0.00 0.00 54.13 51.06 2jtd s LEU 108 Cb -0.13 -1.58 0.06 0.00 0.03 0.00 0.00 46.19 44.57 2jtd s LEU 108 CO 0.01 -0.35 0.38 -0.63 0.23 0.00 0.00 176.35 175.99 2jtd s ILE 109 N 0.97 -0.17 0.00 -0.59 1.01 -1.26 -2.85 121.20 118.30 2jtd s ILE 109 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2jtd s ILE 109 Cb -0.19 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2jtd s ILE 109 CO -0.08 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2jtd n GLY 110 N 4.55 2.38 0.24 6.18 0.00 -1.26 -0.31 105.19 116.97 2jtd n GLY 110 Ca -0.20 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2jtd n GLY 110 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jtd h ASP 111 N 0.00 0.00 -0.05 1.61 2.03 -2.00 -2.97 116.42 115.04 2jtd h ASP 111 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2jtd h ASP 111 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jtd h ASP 111 CO 0.00 0.19 -0.10 0.58 -1.03 0.00 0.00 179.24 178.88 2jtd h VAL 112 N 0.00 1.42 -0.27 4.15 2.07 -1.02 -3.06 116.25 119.54 2jtd h VAL 112 Ca -0.00 -1.40 -0.15 0.00 0.82 0.00 0.00 66.70 65.96 2jtd h VAL 112 Cb 0.63 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2jtd h VAL 112 CO 0.02 0.39 -0.44 0.10 0.02 0.00 0.00 177.57 177.66 2jtd h TYR 113 N -0.34 0.82 -0.33 1.57 -0.00 -1.48 -3.00 116.97 114.21 2jtd h TYR 113 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 58.73 58.43 2jtd h TYR 113 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 36.73 37.22 2jtd h TYR 113 CO 0.12 1.00 -0.01 1.57 -0.00 0.00 0.00 178.16 180.83 2jtd h LYS 114 N 0.55 0.51 0.35 0.10 2.10 -1.59 0.20 116.57 118.77 2jtd h LYS 114 Ca 0.04 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2jtd h LYS 114 Cb 0.99 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2jtd h LYS 114 CO 0.09 0.54 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.70 2jtd h LYS 115 N 0.48 -0.45 -0.33 0.07 3.64 -1.42 -2.33 116.57 116.23 2jtd h LYS 115 Ca 0.10 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jtd h LYS 115 Cb 0.33 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2jtd h LYS 115 CO 0.01 -0.13 -0.05 -0.07 -2.27 0.00 0.00 179.45 176.94 2jtd h LEU 116 N -0.84 0.51 0.42 5.20 3.38 -1.40 -2.36 115.31 120.22 2jtd h LEU 116 Ca -0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2jtd h LEU 116 Cb 0.53 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jtd h LEU 116 CO 0.08 0.62 -0.20 -0.61 0.09 0.00 0.00 178.44 178.42 2jtd h GLN 117 N 0.51 -0.54 0.00 1.13 4.15 -0.62 -2.91 115.11 116.83 2jtd h GLN 117 Ca 0.10 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2jtd h GLN 117 Cb 0.41 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2jtd h GLN 117 CO 0.02 -0.27 -0.11 -0.22 -1.93 0.00 0.00 178.83 176.32 2jtd h LYS 118 N -0.74 0.00 0.00 1.69 3.64 -1.36 0.16 116.57 119.96 2jtd h LYS 118 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jtd h LYS 118 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2jtd h LYS 118 CO 0.09 0.11 0.00 0.39 -2.27 0.00 0.00 179.45 177.77 2jtd n GLU 119 N -3.16 0.07 -0.08 1.90 1.02 -0.90 -4.01 120.64 115.48 2jtd n GLU 119 Ca 0.02 0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 2jtd n GLU 119 Cb 0.50 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.58 1.35 -3.10 0.62 0.00 -0.59 -4.93 120.51 112.28 2jtd n ALA 120 Ca 0.05 -0.74 -0.38 0.00 0.00 0.00 0.00 53.44 52.37 2jtd n ALA 120 Cb 0.31 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 2jtd n ALA 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jtd s GLU 121 N -2.64 2.98 0.00 0.00 -6.30 0.46 -5.00 118.70 108.20 2jtd s GLU 121 Ca -0.26 -0.94 0.26 0.00 -2.50 0.00 0.00 54.97 51.52 2jtd s GLU 121 Cb 0.06 -3.47 0.59 0.00 0.00 0.00 0.00 34.13 31.31 2jtd s GLU 121 CO 0.37 -0.53 1.49 1.19 0.02 0.00 0.00 175.26 177.79