#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 1.18 -0.24 5.31 2.12 -1.26 -5.09 118.70 120.73 2jtd s GLU 2 Ca 0.00 -0.37 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 2jtd s GLU 2 Cb 0.00 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 2jtd s GLU 2 CO 0.00 0.13 1.99 -1.21 -0.54 0.00 0.00 175.26 175.64 2jtd s GLU 3 N 0.21 3.34 0.57 4.30 2.02 -1.26 -4.84 118.70 123.04 2jtd s GLU 3 Ca -0.04 1.82 0.35 0.00 0.02 0.00 0.00 54.97 57.12 2jtd s GLU 3 Cb -0.10 -4.26 1.60 0.00 0.10 0.00 0.00 34.13 31.47 2jtd s GLU 3 CO 0.01 -1.86 2.08 0.52 0.02 0.00 0.00 175.26 176.03 2jtd h MET 4 N 13.56 0.00 -0.15 1.61 2.86 -2.02 -1.85 114.93 128.93 2jtd h MET 4 Ca -0.38 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.30 2jtd h MET 4 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 2jtd h MET 4 CO 0.99 0.03 0.11 0.87 1.06 0.00 0.00 176.91 179.97 2jtd h LYS 5 N 0.00 0.00 0.00 1.72 6.56 -2.03 -1.18 116.57 121.64 2jtd h LYS 5 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jtd h LYS 5 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2jtd h LYS 5 CO 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.39 2jtd h ARG 6 N 0.00 0.00 0.00 3.15 2.47 -1.73 -2.83 114.38 115.45 2jtd h ARG 6 Ca 0.07 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 2jtd h ARG 6 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2jtd h ARG 6 CO -0.00 0.00 -0.47 -0.07 0.56 0.00 0.00 179.97 179.99 2jtd h LEU 7 N 0.00 0.00 -0.73 3.04 3.38 -1.36 -3.17 115.31 116.47 2jtd h LEU 7 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jtd h LEU 7 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jtd h LEU 7 CO 0.00 0.47 0.00 0.18 0.09 0.00 0.00 178.44 179.18 2jtd n LEU 8 N -3.33 0.38 0.14 1.67 7.99 -1.07 -1.63 117.00 121.15 2jtd n LEU 8 Ca 0.01 0.64 0.03 0.00 -0.01 0.00 0.00 56.01 56.68 2jtd n LEU 8 Cb 0.66 -0.65 0.42 0.00 -0.11 0.00 0.00 43.42 43.73 2jtd n LEU 8 CO 0.39 -0.66 0.89 0.00 -1.51 0.00 0.00 177.39 176.50 2jtd h ALA 9 N 2.13 1.55 -1.50 -1.18 0.00 -1.74 -3.35 119.26 115.18 2jtd h ALA 9 Ca 0.00 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.07 2jtd h ALA 9 Cb 0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 2jtd h ALA 9 CO 0.00 0.33 1.17 -1.17 0.00 0.00 0.00 179.25 179.58 2jtd s LEU 10 N -8.73 4.22 -0.73 0.00 0.20 -0.65 -4.72 118.68 108.27 2jtd s LEU 10 Ca -0.05 -1.69 -0.02 0.00 0.69 0.00 0.00 54.13 53.05 2jtd s LEU 10 Cb 0.15 -2.49 0.33 0.00 -0.43 0.00 0.00 46.19 43.75 2jtd s LEU 10 CO 0.72 -1.31 2.13 -0.24 -0.29 0.00 0.00 176.35 177.37 2jtd n SER 11 N 7.81 7.38 -0.87 3.68 2.88 -1.26 -4.98 113.62 128.27 2jtd n SER 11 Ca 0.28 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 2jtd n SER 11 Cb 0.50 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2jtd n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtd n GLN 12 N -0.39 -2.32 -3.71 -1.46 1.13 -1.26 -4.96 117.38 104.41 2jtd n GLN 12 Ca 0.54 1.78 -0.37 0.00 -1.94 0.00 0.00 57.00 57.02 2jtd n GLN 12 Cb 0.39 -2.18 -0.06 0.00 0.11 0.00 0.00 30.24 28.50 2jtd n GLN 12 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2jtd s GLU 13 N -4.76 3.65 0.00 -1.09 1.03 -1.26 -4.90 118.70 111.37 2jtd s GLU 13 Ca 0.00 0.07 0.00 0.00 0.03 0.00 0.00 54.97 55.07 2jtd s GLU 13 Cb 0.00 -3.16 0.00 0.00 -0.80 0.00 0.00 34.13 30.17 2jtd s GLU 13 CO 0.00 0.71 0.00 -2.39 -1.33 0.00 0.00 175.26 172.25 2jtd n HIS 14 N 1.66 0.00 -2.74 4.83 1.44 -1.26 -5.13 115.22 114.01 2jtd n HIS 14 Ca -0.15 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.13 2jtd n HIS 14 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 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 3.99 0.12 -1.40 -0.14 -1.26 -4.92 119.74 116.14 2jtd s LYS 15 Ca 0.00 0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 55.45 2jtd s LYS 15 Cb 0.00 -3.75 -0.14 0.00 -1.68 0.00 0.00 37.83 32.26 2jtd s LYS 15 CO 0.00 -0.86 1.27 0.74 -0.76 0.00 0.00 175.35 175.74 2jtd h PHE 16 N 8.18 0.45 0.00 3.18 0.04 -2.00 -3.30 116.94 123.49 2jtd h PHE 16 Ca -0.22 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.25 2jtd h PHE 16 Cb 1.07 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2jtd h PHE 16 CO 0.82 1.14 0.07 -2.30 -0.60 0.00 0.00 178.31 177.44 2jtd n PRO 17 N -3.63 0.42 -2.00 1.51 -0.02 -1.26 -4.83 135.00 125.19 2jtd n PRO 17 Ca -0.06 -0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.02 2jtd n PRO 17 Cb 0.90 -1.45 0.18 0.00 -0.02 0.00 0.00 33.50 33.11 2jtd n PRO 17 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2jtd s THR 18 N 1.70 2.01 0.38 3.45 -1.32 -1.24 -4.57 115.64 116.05 2jtd s THR 18 Ca 0.07 -0.06 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2jtd s THR 18 Cb 0.03 -2.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 2jtd s THR 18 CO 0.00 0.00 0.56 0.68 -2.21 0.00 0.00 174.62 173.65 2jtd s VAL 19 N -3.82 4.05 -0.13 5.08 -7.23 -1.07 -4.96 120.40 112.32 2jtd s VAL 19 Ca 0.73 -0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2jtd s VAL 19 Cb -0.04 -3.44 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 2jtd s VAL 19 CO 0.52 -0.23 1.73 -0.81 -0.31 0.00 0.00 175.10 176.00 2jtd n PRO 20 N -1.83 0.92 0.00 4.82 -0.04 -1.26 -3.97 135.00 133.65 2jtd n PRO 20 Ca 0.00 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2jtd n PRO 20 Cb 0.58 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2jtd n PRO 20 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jtd n THR 21 N 3.15 0.00 -1.80 0.52 -1.04 -1.26 -4.62 114.28 109.23 2jtd n THR 21 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2jtd n THR 21 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jtd n LYS 22 N 0.00 0.00 -3.53 -2.82 4.76 -1.25 -5.09 118.16 110.22 2jtd n LYS 22 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2jtd n LYS 22 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 2jtd n LYS 22 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jtd s SER 23 N 0.00 5.76 -0.29 4.39 0.01 -1.26 -4.30 113.70 118.01 2jtd s SER 23 Ca 0.00 -1.93 -0.18 0.00 1.31 0.00 0.00 55.95 55.14 2jtd s SER 23 Cb 0.00 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2jtd s SER 23 CO 0.00 -0.70 0.54 -1.83 0.41 0.00 0.00 173.24 171.66 2jtd s GLU 24 N 1.34 3.96 -0.27 12.44 -1.05 -0.65 -2.61 118.70 131.86 2jtd s GLU 24 Ca 0.06 0.23 -0.10 0.00 -0.15 0.00 0.00 54.97 55.01 2jtd s GLU 24 Cb -0.26 -3.69 -0.05 0.00 -0.44 0.00 0.00 34.13 29.69 2jtd s GLU 24 CO -0.01 -0.45 0.16 -1.17 0.95 0.00 0.00 175.26 174.75 2jtd s LEU 25 N 2.39 3.91 -0.05 1.83 1.98 -1.26 -1.74 118.68 125.74 2jtd s LEU 25 Ca 0.22 -0.04 0.05 0.00 -2.89 0.00 0.00 54.13 51.46 2jtd s LEU 25 Cb -0.15 -2.08 -0.01 0.00 0.66 0.00 0.00 46.19 44.61 2jtd s LEU 25 CO 0.10 -0.04 -0.20 0.00 -1.89 0.00 0.00 176.35 174.33 2jtd s ALA 26 N 1.68 1.76 -0.19 5.97 0.00 -0.18 -4.87 121.76 125.93 2jtd s ALA 26 Ca 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2jtd s ALA 26 Cb -0.16 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.44 2jtd s ALA 26 CO 0.09 0.33 -0.11 0.08 0.00 0.00 0.00 175.76 176.15 2jtd s VAL 27 N -0.06 1.63 -0.17 0.00 1.01 -1.26 -2.04 120.40 119.51 2jtd s VAL 27 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2jtd s VAL 27 Cb -0.12 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2jtd s VAL 27 CO 0.03 0.25 -0.17 -1.61 0.00 0.00 0.00 175.10 173.59 2jtd s GLU 28 N 1.42 3.09 -0.21 2.72 0.41 0.15 -5.02 118.70 121.26 2jtd s GLU 28 Ca 0.00 -0.79 -0.07 0.00 -0.41 0.00 0.00 54.97 53.70 2jtd s GLU 28 Cb -0.15 -2.62 -0.04 0.00 -1.78 0.00 0.00 34.13 29.55 2jtd s GLU 28 CO -0.09 -0.13 0.06 0.42 -0.49 0.00 0.00 175.26 175.04 2jtd s ILE 29 N 1.13 4.53 -0.35 -1.63 1.09 -1.26 0.03 121.20 124.75 2jtd s ILE 29 Ca 0.01 -0.11 -0.10 0.00 -1.10 0.00 0.00 60.65 59.35 2jtd s ILE 29 Cb -0.14 -3.07 0.02 0.00 -1.06 0.00 0.00 42.46 38.20 2jtd s ILE 29 CO -0.07 0.40 0.17 -0.76 -0.10 0.00 0.00 174.94 174.58 2jtd s LEU 30 N 0.96 4.43 0.28 2.97 2.01 0.87 -4.44 118.68 125.76 2jtd s LEU 30 Ca 0.04 -0.85 0.23 0.00 0.01 0.00 0.00 54.13 53.56 2jtd s LEU 30 Cb -0.14 -1.99 1.03 0.00 0.01 0.00 0.00 46.19 45.10 2jtd s LEU 30 CO 0.03 -0.31 1.71 -1.84 1.01 0.00 0.00 176.35 176.94 2jtd n GLU 31 N 4.96 0.19 0.04 1.70 -0.00 -1.26 -0.82 120.64 125.45 2jtd n GLU 31 Ca -0.13 0.47 0.09 0.00 -0.00 0.00 0.00 57.16 57.59 2jtd n GLU 31 Cb 0.47 -1.90 0.37 0.00 -0.00 0.00 0.00 31.44 30.38 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 -2.26 0.06 0.00 3.44 5.02 -1.26 -4.80 118.16 118.37 2jtd n LYS 32 Ca 0.01 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2jtd n LYS 32 Cb 0.19 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.03 1.01 2.81 0.72 0.00 -0.00 -5.15 105.19 104.61 2jtd n GLY 33 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.06 -0.28 1.61 -1.52 -0.23 -4.74 119.66 114.56 2jtd s GLN 34 Ca 0.00 0.11 -0.07 0.00 -1.95 0.00 0.00 55.36 53.44 2jtd s GLN 34 Cb 0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 33.01 32.54 2jtd s GLN 34 CO 0.00 -0.11 0.08 0.08 -0.25 0.00 0.00 175.29 175.09 2jtd s VAL 35 N 0.77 4.11 -0.35 1.09 1.01 0.26 -0.09 120.40 127.20 2jtd s VAL 35 Ca -0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2jtd s VAL 35 Cb -0.10 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2jtd s VAL 35 CO -0.02 0.15 0.15 -0.60 0.00 0.00 0.00 175.10 174.78 2jtd s ARG 36 N 1.54 2.72 -0.09 2.72 3.52 0.10 -2.17 118.95 127.31 2jtd s ARG 36 Ca 0.04 -1.13 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 2jtd s ARG 36 Cb -0.17 -3.58 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2jtd s ARG 36 CO 0.03 -0.67 -0.19 0.12 -0.81 0.00 0.00 175.30 173.77 2jtd s PHE 37 N 1.47 2.62 -0.01 5.12 2.19 -0.57 0.33 117.98 129.14 2jtd s PHE 37 Ca 0.00 -0.69 -0.17 0.00 0.33 0.00 0.00 56.93 56.40 2jtd s PHE 37 Cb -0.19 -1.71 0.03 0.00 -1.31 0.00 0.00 43.02 39.84 2jtd s PHE 37 CO 0.04 -0.20 0.35 1.67 1.83 0.00 0.00 175.22 178.92 2jtd s TRP 38 N 0.03 -0.23 -0.06 10.12 1.48 -0.87 0.71 118.94 130.12 2jtd s TRP 38 Ca -0.07 0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 55.26 2jtd s TRP 38 Cb -0.15 0.14 0.04 0.00 -1.16 0.00 0.00 33.47 32.34 2jtd s TRP 38 CO 0.05 -0.44 0.14 0.00 -4.06 0.00 0.00 176.95 172.65 2jtd s MET 39 N -1.52 0.09 -0.13 3.25 0.23 -0.37 -1.01 119.30 119.84 2jtd s MET 39 Ca -0.12 0.36 -0.01 0.00 -1.03 0.00 0.00 55.69 54.89 2jtd s MET 39 Cb -0.04 -0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 33.07 2jtd s MET 39 CO 0.04 -0.16 -0.08 -1.14 -2.03 0.00 0.00 175.02 171.64 2jtd s GLN 40 N 1.13 3.38 0.38 3.16 0.74 -0.71 -0.52 119.66 127.22 2jtd s GLN 40 Ca -0.09 -0.59 0.08 0.00 0.05 0.00 0.00 55.36 54.81 2jtd s GLN 40 Cb -0.11 -2.74 -0.02 0.00 1.10 0.00 0.00 33.01 31.24 2jtd s GLN 40 CO -0.06 0.31 0.34 0.00 -0.55 0.00 0.00 175.29 175.34 2jtd s ALA 41 N 0.13 3.97 -2.01 1.58 0.00 -0.51 -1.63 121.76 123.29 2jtd s ALA 41 Ca -0.04 -1.78 0.12 0.00 0.00 0.00 0.00 51.96 50.27 2jtd s ALA 41 Cb -0.14 -1.10 0.35 0.00 0.00 0.00 0.00 23.12 22.23 2jtd s ALA 41 CO 0.04 -0.12 1.29 -0.85 0.00 0.00 0.00 175.76 176.11 2jtd n GLU 42 N -1.48 1.86 -4.33 0.00 0.28 -1.26 -4.85 120.64 110.87 2jtd n GLU 42 Ca 0.01 -1.33 -0.19 0.00 -0.16 0.00 0.00 57.16 55.49 2jtd n GLU 42 Cb 0.61 -1.29 -0.10 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.51 1.27 -0.00 3.44 1.02 -1.26 -5.05 119.74 117.64 2jtd s LYS 43 Ca 0.25 -1.50 0.11 0.00 0.02 0.00 0.00 55.97 54.85 2jtd s LYS 43 Cb 0.13 -1.11 -0.13 0.00 -0.52 0.00 0.00 37.83 36.20 2jtd s LYS 43 CO 0.17 0.19 0.41 1.28 -0.92 0.00 0.00 175.35 176.49 2jtd n LEU 44 N -0.13 0.40 -4.65 3.17 4.77 -1.26 -4.50 117.00 114.80 2jtd n LEU 44 Ca -0.10 -0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 55.25 2jtd n LEU 44 Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 2jtd n LEU 44 CO 0.33 0.10 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.73 2jtd s SER 45 N -2.28 4.48 -0.87 -1.43 0.01 -1.26 -3.71 113.70 108.64 2jtd s SER 45 Ca 0.02 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 2jtd s SER 45 Cb 0.08 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.49 2jtd s SER 45 CO 0.44 -0.07 2.07 -0.24 0.41 0.00 0.00 173.24 175.86 2jtd n SER 46 N -0.93 4.75 -0.00 2.44 2.88 -1.26 -4.02 113.62 117.49 2jtd n SER 46 Ca -0.06 -2.31 -0.07 0.00 -1.33 0.00 0.00 58.87 55.11 2jtd n SER 46 Cb 0.60 -1.07 -0.12 0.00 -0.75 0.00 0.00 64.21 62.86 2jtd n SER 46 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2jtd h ASN 47 N 6.34 0.00 -3.34 -3.46 -0.73 -1.96 -3.46 115.58 108.97 2jtd h ASN 47 Ca 0.47 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 58.09 2jtd h ASN 47 Cb 0.16 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 2jtd h ASN 47 CO 1.41 0.91 0.04 0.00 -0.37 0.00 0.00 177.43 179.42 2jtd s ALA 48 N -2.68 3.53 -0.44 1.57 0.00 -1.26 -4.86 121.76 117.62 2jtd s ALA 48 Ca -0.04 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 2jtd s ALA 48 Cb 0.08 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.47 2jtd s ALA 48 CO 0.82 0.33 0.96 0.15 0.00 0.00 0.00 175.76 178.02 2jtd s LYS 49 N -1.00 3.64 -0.37 0.00 -0.14 0.66 -4.86 119.74 117.67 2jtd s LYS 49 Ca 0.32 0.34 -0.04 0.00 -1.36 0.00 0.00 55.97 55.22 2jtd s LYS 49 Cb -0.21 -3.89 0.08 0.00 -1.68 0.00 0.00 37.83 32.13 2jtd s LYS 49 CO 0.21 -1.18 0.15 0.08 -0.76 0.00 0.00 175.35 173.85 2jtd s VAL 50 N 3.80 3.45 -0.26 3.17 1.01 -1.26 0.03 120.40 130.33 2jtd s VAL 50 Ca 0.39 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 2jtd s VAL 50 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2jtd s VAL 50 CO 0.25 -0.44 0.43 -0.44 0.00 0.00 0.00 175.10 174.90 2jtd s SER 51 N 1.68 6.33 -0.83 3.32 0.01 -0.88 -5.01 113.70 118.32 2jtd s SER 51 Ca 0.02 0.39 -0.17 0.00 1.31 0.00 0.00 55.95 57.50 2jtd s SER 51 Cb -0.22 -2.24 0.16 0.00 0.21 0.00 0.00 66.02 63.93 2jtd s SER 51 CO -0.01 -0.22 0.93 -0.31 0.41 0.00 0.00 173.24 174.04 2jtd s TYR 52 N 2.12 3.31 -0.14 2.43 2.02 -1.26 -3.49 117.35 122.34 2jtd s TYR 52 Ca 0.17 -1.51 0.01 0.00 -0.37 0.00 0.00 57.07 55.37 2jtd s TYR 52 Cb -0.16 -4.08 -0.01 0.00 -0.40 0.00 0.00 41.96 37.32 2jtd s TYR 52 CO 0.10 -1.29 -0.16 0.42 -1.57 0.00 0.00 175.55 173.05 2jtd s ILE 53 N 1.83 2.71 -0.11 2.71 1.09 -1.14 -1.41 121.20 126.89 2jtd s ILE 53 Ca 0.24 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 59.01 2jtd s ILE 53 Cb -0.10 -2.13 0.03 0.00 -1.06 0.00 0.00 42.46 39.20 2jtd s ILE 53 CO -0.06 0.52 -0.04 0.12 -0.10 0.00 0.00 174.94 175.38 2jtd s PHE 54 N 0.62 1.21 -1.55 3.97 5.36 0.67 -0.64 117.98 127.62 2jtd s PHE 54 Ca -0.09 -0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 55.26 2jtd s PHE 54 Cb -0.16 -1.09 0.01 0.00 -0.34 0.00 0.00 43.02 41.44 2jtd s PHE 54 CO 0.03 -0.46 0.61 -1.71 -1.46 0.00 0.00 175.22 172.23 2jtd n ASN 55 N 5.01 -6.13 0.00 6.13 4.05 0.17 -0.39 115.26 124.10 2jtd n ASN 55 Ca -0.10 -0.29 0.00 0.00 0.45 0.00 0.00 54.58 54.64 2jtd n ASN 55 Cb 0.50 -4.94 0.00 0.00 1.23 0.00 0.00 39.78 36.57 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 -4.02 -0.11 -3.44 1.20 1.02 -1.26 -4.99 120.64 109.05 2jtd n GLU 56 Ca -0.11 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.68 2jtd n GLU 56 Cb 0.62 -3.33 -0.07 0.00 -0.02 0.00 0.00 31.44 28.64 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 -0.43 4.21 -0.28 3.49 -0.14 0.47 -5.03 119.74 122.03 2jtd s LYS 57 Ca 0.00 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.49 2jtd s LYS 57 Cb 0.00 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 2jtd s LYS 57 CO 0.00 0.06 1.71 -1.21 -0.76 0.00 0.00 175.35 175.15 2jtd s GLU 58 N 0.99 3.55 0.55 1.68 2.02 -1.26 -0.24 118.70 126.00 2jtd s GLU 58 Ca 0.18 1.52 0.07 0.00 0.02 0.00 0.00 54.97 56.76 2jtd s GLU 58 Cb -0.14 -4.12 0.05 0.00 0.10 0.00 0.00 34.13 30.02 2jtd s GLU 58 CO 0.07 -1.59 0.52 0.96 0.02 0.00 0.00 175.26 175.24 2jtd s ILE 59 N 6.07 1.82 0.10 -1.63 -5.25 -0.50 -4.98 121.20 116.83 2jtd s ILE 59 Ca 0.76 -1.34 -0.03 0.00 -0.99 0.00 0.00 60.65 59.04 2jtd s ILE 59 Cb -0.23 -2.15 -0.03 0.00 2.95 0.00 0.00 42.46 42.99 2jtd s ILE 59 CO 0.32 0.00 0.09 0.72 -1.79 0.00 0.00 174.94 174.28 2jtd s PHE 60 N -2.74 0.56 -0.61 1.37 -0.71 -1.26 -4.93 117.98 109.67 2jtd s PHE 60 Ca 0.43 -1.00 -0.27 0.00 -1.04 0.00 0.00 56.93 55.05 2jtd s PHE 60 Cb -0.03 -0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2jtd s PHE 60 CO 0.27 -0.51 1.72 -2.00 -1.34 0.00 0.00 175.22 173.36 2jtd s GLU 61 N -3.96 2.83 0.00 1.99 2.12 -1.26 -4.80 118.70 115.62 2jtd s GLU 61 Ca 0.14 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.99 2jtd s GLU 61 Cb 0.07 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.14 2jtd s GLU 61 CO -0.04 -2.50 0.00 0.41 -0.54 0.00 0.00 175.26 172.58 2jtd n GLY 62 N 5.59 4.72 0.28 -1.50 0.00 -1.25 -4.92 105.19 108.10 2jtd n GLY 62 Ca 0.17 -1.96 0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.04 -2.76 132.00 128.92 2jtd h PRO 63 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jtd h PRO 63 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2jtd h PRO 63 CO 0.00 0.04 -1.81 1.17 -0.21 0.00 0.00 178.00 177.19 2jtd n LYS 64 N -3.19 0.57 -4.29 1.05 4.81 -1.26 -4.94 118.16 110.91 2jtd n LYS 64 Ca -0.00 -0.16 -0.27 0.00 -0.87 0.00 0.00 58.31 57.00 2jtd n LYS 64 Cb 0.27 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jtd s TYR 65 N -3.38 2.62 -0.21 5.64 2.02 -1.04 -4.22 117.35 118.77 2jtd s TYR 65 Ca -0.05 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.35 2jtd s TYR 65 Cb 0.14 -1.30 0.10 0.00 -0.40 0.00 0.00 41.96 40.50 2jtd s TYR 65 CO 0.87 0.49 0.43 0.21 -1.57 0.00 0.00 175.55 175.98 2jtd s LYS 66 N -2.71 0.34 -0.04 -0.62 2.47 -1.23 -3.80 119.74 114.15 2jtd s LYS 66 Ca 0.24 1.01 0.03 0.00 -1.56 0.00 0.00 55.97 55.69 2jtd s LYS 66 Cb -0.09 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 2jtd s LYS 66 CO 0.14 -0.29 -0.14 -1.64 0.16 0.00 0.00 175.35 173.59 2jtd s MET 67 N 2.62 1.49 0.57 4.03 -1.94 -1.26 -1.51 119.30 123.31 2jtd s MET 67 Ca -0.00 -0.49 -0.04 0.00 -1.71 0.00 0.00 55.69 53.45 2jtd s MET 67 Cb -0.12 -1.31 0.01 0.00 2.01 0.00 0.00 34.83 35.42 2jtd s MET 67 CO -0.13 0.18 0.86 -1.01 -0.01 0.00 0.00 175.02 174.90 2jtd s HIS 68 N 0.15 3.18 -0.06 -0.03 3.76 -0.65 -4.95 115.29 116.70 2jtd s HIS 68 Ca -0.05 0.50 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 2jtd s HIS 68 Cb -0.11 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.85 2jtd s HIS 68 CO 0.02 -0.80 -0.12 -1.50 -0.85 0.00 0.00 174.74 171.49 2jtd s ILE 69 N -2.92 3.25 -1.00 0.60 1.10 -1.26 -4.43 121.20 116.55 2jtd s ILE 69 Ca 0.54 -0.65 -0.24 0.00 -0.51 0.00 0.00 60.65 59.79 2jtd s ILE 69 Cb -0.10 -2.29 -0.05 0.00 0.15 0.00 0.00 42.46 40.17 2jtd s ILE 69 CO 0.43 0.59 1.90 1.51 -2.11 0.00 0.00 174.94 177.26 2jtd s ASP 70 N -0.72 5.28 0.03 4.50 -4.77 -1.26 -4.19 116.67 115.54 2jtd s ASP 70 Ca 0.11 -1.05 0.00 0.00 -3.30 0.00 0.00 52.55 48.32 2jtd s ASP 70 Cb -0.11 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 2jtd s ASP 70 CO 0.01 -2.68 0.00 0.54 0.70 0.00 0.00 175.17 173.74 2jtd n ARG 71 N 8.70 0.00 -0.02 2.11 1.74 -1.24 -4.39 116.66 123.56 2jtd n ARG 71 Ca 0.41 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.30 2jtd n ARG 71 Cb 0.47 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.78 2jtd n ARG 71 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jtd h ASN 72 N 0.00 0.24 0.00 0.55 2.35 -1.85 -3.41 115.58 113.46 2jtd h ASN 72 Ca 0.00 -0.89 -0.12 0.00 -0.55 0.00 0.00 56.30 54.74 2jtd h ASN 72 Cb 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2jtd h ASN 72 CO 0.00 1.33 -1.70 0.35 -1.65 0.00 0.00 177.43 175.76 2jtd n THR 73 N -4.28 0.43 -1.00 2.81 -2.24 -1.26 -4.97 114.28 103.77 2jtd n THR 73 Ca -0.17 -0.40 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2jtd n THR 73 Cb 0.71 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.05 0.45 3.43 3.38 0.00 -1.26 -4.90 105.19 108.34 2jtd n GLY 74 Ca -0.11 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2jtd n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtd s ILE 75 N -2.00 2.82 -0.27 -0.61 1.01 -1.26 -1.42 121.20 119.46 2jtd s ILE 75 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2jtd s ILE 75 Cb 0.00 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.44 2jtd s ILE 75 CO 0.00 0.59 -0.06 -0.63 0.00 0.00 0.00 174.94 174.84 2jtd s ILE 76 N -0.69 2.61 -0.12 2.92 1.01 0.32 -4.14 121.20 123.11 2jtd s ILE 76 Ca 0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.33 2jtd s ILE 76 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2jtd s ILE 76 CO 0.00 0.00 -0.02 -1.61 0.00 0.00 0.00 174.94 173.31 2jtd s GLU 77 N 1.21 3.36 -0.22 2.79 8.01 -1.26 -1.24 118.70 131.36 2jtd s GLU 77 Ca -0.05 -0.48 0.01 0.00 0.01 0.00 0.00 54.97 54.46 2jtd s GLU 77 Cb -0.19 -2.85 0.03 0.00 -4.31 0.00 0.00 34.13 26.81 2jtd s GLU 77 CO -0.04 0.44 -0.15 1.41 0.01 0.00 0.00 175.26 176.93 2jtd s MET 78 N -0.16 2.71 -0.26 1.61 1.75 0.22 -1.63 119.30 123.53 2jtd s MET 78 Ca 0.04 -1.03 -0.05 0.00 -1.25 0.00 0.00 55.69 53.40 2jtd s MET 78 Cb -0.13 -2.74 0.01 0.00 2.84 0.00 0.00 34.83 34.81 2jtd s MET 78 CO 0.02 -0.36 0.01 0.12 -0.65 0.00 0.00 175.02 174.17 2jtd s PHE 79 N 1.23 3.08 0.08 4.11 5.36 -0.57 -1.52 117.98 129.76 2jtd s PHE 79 Ca -0.01 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 54.85 2jtd s PHE 79 Cb -0.16 -2.17 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 2jtd s PHE 79 CO -0.09 -0.60 -0.01 -1.64 -1.46 0.00 0.00 175.22 171.42 2jtd s MET 80 N 1.45 0.75 0.00 10.12 -1.94 -0.92 -3.55 119.30 125.20 2jtd s MET 80 Ca 0.03 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 2jtd s MET 80 Cb -0.16 0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.82 2jtd s MET 80 CO -0.01 -0.14 0.00 -0.85 -0.01 0.00 0.00 175.02 174.01 2jtd n GLU 81 N 0.02 0.00 -3.57 2.03 0.28 -1.26 -0.57 120.64 117.56 2jtd n GLU 81 Ca -0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.73 2jtd n GLU 81 Cb 0.62 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.42 2jtd n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2jtd s LYS 82 N 0.94 0.95 0.00 3.44 0.00 -1.26 -4.90 119.74 118.92 2jtd s LYS 82 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 55.97 56.43 2jtd s LYS 82 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 37.83 38.28 2jtd s LYS 82 CO 0.00 -0.24 0.00 -0.11 0.00 0.00 0.00 175.35 175.00 2jtd n LEU 83 N 1.52 0.32 -5.00 2.77 7.94 -1.26 -5.03 117.00 118.27 2jtd n LEU 83 Ca -0.17 0.02 -0.21 0.00 -1.11 0.00 0.00 56.01 54.53 2jtd n LEU 83 Cb 0.56 -0.14 0.05 0.00 0.53 0.00 0.00 43.42 44.42 2jtd n LEU 83 CO 0.17 -0.14 0.27 -1.10 -1.11 0.00 0.00 177.39 175.48 2jtd s GLN 84 N -0.29 2.28 0.29 1.96 1.11 -1.26 -5.02 119.66 118.73 2jtd s GLN 84 Ca 0.00 -1.76 0.14 0.00 0.01 0.00 0.00 55.36 53.75 2jtd s GLN 84 Cb 0.00 -2.50 0.29 0.00 -1.01 0.00 0.00 33.01 29.79 2jtd s GLN 84 CO 0.00 -0.82 1.55 -0.44 0.01 0.00 0.00 175.29 175.59 2jtd h ASP 85 N 0.31 0.00 0.60 5.90 5.19 -1.97 -3.01 116.42 123.45 2jtd h ASP 85 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2jtd h ASP 85 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2jtd h ASP 85 CO 0.45 0.56 0.00 -1.84 -3.12 0.00 0.00 179.24 175.29 2jtd n GLU 86 N -3.43 0.23 0.00 3.56 0.28 -1.26 -2.63 120.64 117.40 2jtd n GLU 86 Ca 0.00 0.06 0.13 0.00 -0.16 0.00 0.00 57.16 57.19 2jtd n GLU 86 Cb 0.67 -1.50 0.46 0.00 1.43 0.00 0.00 31.44 32.50 2jtd n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jtd n ASP 87 N -1.36 0.23 -4.85 -1.84 9.92 -1.13 -4.83 116.55 112.70 2jtd n ASP 87 Ca 0.10 0.21 -0.38 0.00 -0.53 0.00 0.00 54.79 54.19 2jtd n ASP 87 Cb 0.23 -0.21 -0.06 0.00 -0.64 0.00 0.00 41.12 40.44 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jtd s GLU 88 N -3.01 3.78 0.00 -1.24 2.56 -1.08 -4.95 118.70 114.76 2jtd s GLU 88 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.33 2jtd s GLU 88 Cb 0.18 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 33.09 2jtd s GLU 88 CO 0.60 0.70 0.00 0.41 -0.56 0.00 0.00 175.26 176.41 2jtd n GLY 89 N 1.93 2.17 3.56 -1.50 0.00 -0.54 -4.80 105.19 106.01 2jtd n GLY 89 Ca -0.16 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2jtd n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtd s THR 90 N -1.14 5.08 -0.00 2.61 2.01 -1.26 -0.58 115.64 122.36 2jtd s THR 90 Ca 0.00 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 2jtd s THR 90 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 2jtd s THR 90 CO 0.00 -0.13 0.43 -0.31 -0.69 0.00 0.00 174.62 173.92 2jtd s TYR 91 N 2.24 3.72 -0.23 4.92 1.51 0.11 -0.65 117.35 128.97 2jtd s TYR 91 Ca 0.16 1.01 -0.04 0.00 -1.01 0.00 0.00 57.07 57.20 2jtd s TYR 91 Cb -0.16 -2.32 0.09 0.00 -0.11 0.00 0.00 41.96 39.46 2jtd s TYR 91 CO 0.12 0.61 0.19 0.99 -1.11 0.00 0.00 175.55 176.35 2jtd s THR 92 N -0.96 -0.24 -0.13 -0.71 2.01 0.19 -0.48 115.64 115.33 2jtd s THR 92 Ca 0.24 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2jtd s THR 92 Cb -0.17 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 2jtd s THR 92 CO 0.14 -0.36 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.24 2jtd s PHE 93 N 2.25 2.86 -0.14 4.92 0.40 -1.03 -2.89 117.98 124.36 2jtd s PHE 93 Ca 0.07 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2jtd s PHE 93 Cb -0.16 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2jtd s PHE 93 CO -0.19 -0.10 -0.17 1.14 0.70 0.00 0.00 175.22 176.60 2jtd s GLN 94 N 0.19 2.54 -0.33 0.44 -2.07 -1.23 -0.94 119.66 118.26 2jtd s GLN 94 Ca -0.06 -0.67 -0.05 0.00 -1.82 0.00 0.00 55.36 52.77 2jtd s GLN 94 Cb -0.15 -2.19 0.04 0.00 -1.09 0.00 0.00 33.01 29.63 2jtd s GLN 94 CO 0.04 -0.14 0.07 0.42 -1.32 0.00 0.00 175.29 174.36 2jtd s ILE 95 N 1.17 3.48 -0.62 3.63 1.01 0.27 -2.07 121.20 128.08 2jtd s ILE 95 Ca -0.01 -1.24 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 2jtd s ILE 95 Cb -0.14 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.45 2jtd s ILE 95 CO -0.07 -0.16 0.76 -1.58 0.00 0.00 0.00 174.94 173.89 2jtd s GLN 96 N 1.34 3.09 -0.31 2.79 0.74 0.10 0.81 119.66 128.23 2jtd s GLN 96 Ca -0.03 -1.32 0.03 0.00 0.05 0.00 0.00 55.36 54.09 2jtd s GLN 96 Cb -0.20 -4.30 0.08 0.00 1.10 0.00 0.00 33.01 29.70 2jtd s GLN 96 CO 0.01 -1.58 -0.00 0.34 -0.55 0.00 0.00 175.29 173.51 2jtd s ASP 97 N 3.60 4.69 0.00 6.67 2.15 -0.72 -0.24 116.67 132.82 2jtd s ASP 97 Ca 0.14 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.29 2jtd s ASP 97 Cb -0.22 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 2jtd s ASP 97 CO 0.05 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2jtd n GLY 98 N 4.36 1.94 1.05 2.66 0.00 -1.26 -3.39 105.19 110.54 2jtd n GLY 98 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.84 1.61 3.00 -1.26 -5.11 118.16 113.56 2jtd n LYS 99 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2jtd n LYS 99 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 35.03 34.74 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 -1.57 3.34 -0.28 3.14 0.00 -1.22 -5.06 121.76 120.11 2jtd s ALA 100 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 2jtd s ALA 100 Cb 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.44 2jtd s ALA 100 CO 0.00 -0.02 0.00 0.95 0.00 0.00 0.00 175.76 176.69 2jtd s THR 101 N -2.38 3.19 -0.95 0.00 -4.23 -1.26 -1.75 115.64 108.26 2jtd s THR 101 Ca 0.51 -1.11 -0.19 0.00 -1.18 0.00 0.00 61.69 59.72 2jtd s THR 101 Cb -0.10 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.14 2jtd s THR 101 CO 0.31 0.03 1.17 -0.83 -0.54 0.00 0.00 174.62 174.77 2jtd s GLY 102 N 1.34 1.89 -0.17 3.99 0.00 0.24 -4.82 107.32 109.79 2jtd s GLY 102 Ca -0.02 -2.75 -0.08 0.00 0.00 0.00 0.00 44.72 41.88 2jtd s GLY 102 CO -0.01 2.08 0.09 -2.38 0.00 0.00 0.00 173.10 172.88 2jtd s HIS 103 N 2.86 3.36 -0.06 1.90 -3.43 -1.26 -0.56 115.29 118.10 2jtd s HIS 103 Ca 0.34 0.25 -0.01 0.00 -0.80 0.00 0.00 55.06 54.85 2jtd s HIS 103 Cb -0.04 -2.05 0.03 0.00 -1.43 0.00 0.00 32.58 29.09 2jtd s HIS 103 CO -0.09 0.34 -0.01 0.45 -2.00 0.00 0.00 174.74 173.43 2jtd s SER 104 N -0.03 1.22 -0.30 7.38 0.15 -0.12 -4.99 113.70 117.01 2jtd s SER 104 Ca 0.08 -0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 2jtd s SER 104 Cb -0.12 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 2jtd s SER 104 CO 0.00 -0.15 0.28 -0.89 1.20 0.00 0.00 173.24 173.68 2jtd s THR 105 N 1.59 5.25 -0.27 6.45 2.01 -1.26 -2.45 115.64 126.95 2jtd s THR 105 Ca -0.01 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2jtd s THR 105 Cb -0.13 -3.66 0.08 0.00 0.01 0.00 0.00 72.50 68.80 2jtd s THR 105 CO -0.03 0.11 0.01 -0.22 -0.69 0.00 0.00 174.62 173.80 2jtd s LEU 106 N 1.88 2.88 -0.25 4.42 1.98 0.37 -5.00 118.68 124.97 2jtd s LEU 106 Ca 0.10 -1.46 -0.09 0.00 -2.89 0.00 0.00 54.13 49.78 2jtd s LEU 106 Cb -0.16 -1.17 -0.04 0.00 0.66 0.00 0.00 46.19 45.47 2jtd s LEU 106 CO 0.11 -0.31 0.11 0.54 -1.89 0.00 0.00 176.35 174.91 2jtd s VAL 107 N 1.36 4.78 -0.30 1.68 0.11 -1.26 0.07 120.40 126.84 2jtd s VAL 107 Ca 0.01 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2jtd s VAL 107 Cb -0.18 -3.24 0.08 0.00 -1.53 0.00 0.00 36.38 31.51 2jtd s VAL 107 CO -0.11 0.33 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.22 2jtd s LEU 108 N 1.43 3.98 -0.11 2.54 1.43 0.25 -4.56 118.68 123.64 2jtd s LEU 108 Ca 0.06 -1.79 -0.06 0.00 -1.03 0.00 0.00 54.13 51.30 2jtd s LEU 108 Cb -0.15 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2jtd s LEU 108 CO 0.06 -0.31 0.27 -0.63 0.23 0.00 0.00 176.35 175.97 2jtd s ILE 109 N 1.06 -0.03 0.00 -0.59 1.01 -1.26 -1.47 121.20 119.92 2jtd s ILE 109 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2jtd s ILE 109 Cb -0.19 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.87 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 4.00 1.94 0.19 6.18 0.00 -1.26 0.22 105.19 116.46 2jtd n GLY 110 Ca -0.23 0.48 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 0.53 1.61 3.04 -2.00 -3.31 116.42 116.29 2jtd h ASP 111 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 2jtd h ASP 111 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 2jtd h ASP 111 CO 0.00 0.26 -0.25 0.58 -2.04 0.00 0.00 179.24 177.79 2jtd h VAL 112 N 0.00 0.45 0.00 4.15 2.07 -0.61 -2.25 116.25 120.07 2jtd h VAL 112 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2jtd h VAL 112 Cb 1.03 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jtd h VAL 112 CO 0.03 0.03 -0.11 0.10 0.02 0.00 0.00 177.57 177.64 2jtd h TYR 113 N -0.82 0.00 0.00 1.57 -0.00 -1.65 -1.57 116.97 114.50 2jtd h TYR 113 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.56 2jtd h TYR 113 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 2jtd h TYR 113 CO -0.02 0.11 -0.49 1.57 -0.00 0.00 0.00 178.16 179.34 2jtd h LYS 114 N 0.00 0.00 0.00 0.10 5.09 -1.61 -1.34 116.57 118.82 2jtd h LYS 114 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.69 2jtd h LYS 114 Cb 0.36 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.70 2jtd h LYS 114 CO 0.01 0.49 -0.20 -0.22 -2.09 0.00 0.00 179.45 177.44 2jtd h LYS 115 N 0.00 0.13 -0.37 0.07 3.64 -0.70 -3.11 116.57 116.23 2jtd h LYS 115 Ca -0.00 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2jtd h LYS 115 Cb 1.35 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 2jtd h LYS 115 CO 0.06 0.91 0.25 -0.07 -2.27 0.00 0.00 179.45 178.34 2jtd h LEU 116 N -0.59 0.21 -0.79 5.20 4.07 -1.43 0.20 115.31 122.18 2jtd h LEU 116 Ca -0.03 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.03 2jtd h LEU 116 Cb 0.98 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.60 2jtd h LEU 116 CO 0.04 0.14 0.43 -0.61 -1.08 0.00 0.00 178.44 177.36 2jtd h GLN 117 N 0.24 0.70 0.00 1.13 5.75 -1.21 -1.61 115.11 120.10 2jtd h GLN 117 Ca 0.17 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.46 2jtd h GLN 117 Cb 0.35 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2jtd h GLN 117 CO -0.03 0.46 -0.78 0.87 -2.65 0.00 0.00 178.83 176.70 2jtd h LYS 118 N 0.72 0.00 0.00 1.69 1.79 -0.94 -2.25 116.57 117.58 2jtd h LYS 118 Ca 0.38 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 2jtd h LYS 118 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2jtd h LYS 118 CO -0.26 0.78 -0.21 0.93 -1.08 0.00 0.00 179.45 179.61 2jtd h GLU 119 N 0.00 0.00 0.00 3.15 5.08 -0.46 -3.30 114.58 119.04 2jtd h GLU 119 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2jtd h GLU 119 Cb 1.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2jtd h GLU 119 CO 0.10 0.21 -0.88 0.00 -1.00 0.00 0.00 179.01 177.44 2jtd n ALA 120 N -2.30 0.62 -2.38 3.43 0.00 -0.68 -5.04 120.51 114.16 2jtd n ALA 120 Ca -0.01 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 2jtd n ALA 120 Cb 0.33 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.35 1.61 0.00 0.00 2.02 -0.85 -5.00 118.70 114.13 2jtd s GLU 121 Ca -0.21 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 52.86 2jtd s GLU 121 Cb 0.04 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2jtd s GLU 121 CO 0.36 -0.37 0.00 1.97 0.02 0.00 0.00 175.26 177.24