#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 3.06 0.57 3.49 2.12 -1.26 -5.06 118.70 121.62 2jtd s GLU 2 Ca 0.00 -2.50 -0.15 0.00 0.36 0.00 0.00 54.97 52.67 2jtd s GLU 2 Cb 0.00 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2jtd s GLU 2 CO 0.00 -1.23 1.03 -1.83 -0.54 0.00 0.00 175.26 172.69 2jtd s GLU 3 N 0.04 3.57 0.54 4.30 -1.05 -1.26 -4.94 118.70 119.90 2jtd s GLU 3 Ca 0.17 1.05 0.24 0.00 -0.15 0.00 0.00 54.97 56.28 2jtd s GLU 3 Cb -0.16 -2.08 1.52 0.00 -0.44 0.00 0.00 34.13 32.98 2jtd s GLU 3 CO -0.06 -0.59 2.17 1.98 0.95 0.00 0.00 175.26 179.70 2jtd h MET 4 N 0.49 0.00 0.00 -4.83 1.85 -2.01 -0.76 114.93 109.68 2jtd h MET 4 Ca -0.46 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 2jtd h MET 4 Cb 1.20 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.23 2jtd h MET 4 CO 0.59 0.04 0.00 1.17 -0.40 0.00 0.00 176.91 178.32 2jtd n LYS 5 N -4.05 0.07 -0.03 0.39 4.81 -1.26 -0.28 118.16 117.82 2jtd n LYS 5 Ca -0.03 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2jtd n LYS 5 Cb 0.13 -1.63 -0.10 0.00 0.02 0.00 0.00 35.03 33.44 2jtd n LYS 5 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2jtd h ARG 6 N 0.00 0.04 -0.00 1.64 2.43 -1.51 -2.23 114.38 114.75 2jtd h ARG 6 Ca 0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 2jtd h ARG 6 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2jtd h ARG 6 CO 0.00 0.61 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.24 2jtd h LEU 7 N -0.53 0.03 -1.18 3.80 4.07 -1.49 -2.92 115.31 117.09 2jtd h LEU 7 Ca 0.00 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2jtd h LEU 7 Cb 0.61 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2jtd h LEU 7 CO 0.01 0.78 -0.36 0.25 -1.08 0.00 0.00 178.44 178.03 2jtd h LEU 8 N 0.01 0.00 -0.02 1.67 5.85 -0.71 -2.99 115.31 119.13 2jtd h LEU 8 Ca -0.01 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 2jtd h LEU 8 Cb 1.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2jtd h LEU 8 CO 0.10 0.36 -0.75 0.00 -0.34 0.00 0.00 178.44 177.81 2jtd h ALA 9 N 1.64 0.52 -1.05 1.25 0.00 -1.21 -3.46 119.26 116.96 2jtd h ALA 9 Ca -0.00 -0.68 -0.70 0.00 0.00 0.00 0.00 54.91 53.52 2jtd h ALA 9 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jtd h ALA 9 CO 0.05 0.93 1.27 1.28 0.00 0.00 0.00 179.25 182.78 2jtd n LEU 10 N -3.30 2.01 0.00 0.00 7.99 -1.13 -4.83 117.00 117.74 2jtd n LEU 10 Ca 0.01 0.63 -0.03 0.00 -0.01 0.00 0.00 56.01 56.61 2jtd n LEU 10 Cb 0.83 -1.18 0.01 0.00 -0.11 0.00 0.00 43.42 42.98 2jtd n LEU 10 CO 0.44 -0.64 0.07 -0.24 -1.51 0.00 0.00 177.39 175.51 2jtd n SER 11 N 8.29 0.30 -4.48 -1.43 2.88 -1.26 -5.07 113.62 112.85 2jtd n SER 11 Ca 0.39 -1.23 -0.43 0.00 -1.33 0.00 0.00 58.87 56.28 2jtd n SER 11 Cb 0.16 -0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 2jtd n SER 11 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jtd s GLN 12 N -2.59 3.10 0.00 -1.46 -0.21 -1.26 -4.93 119.66 112.31 2jtd s GLN 12 Ca 0.10 -0.81 0.15 0.00 0.02 0.00 0.00 55.36 54.83 2jtd s GLN 12 Cb -0.01 -3.95 0.82 0.00 1.00 0.00 0.00 33.01 30.87 2jtd s GLN 12 CO 0.07 -0.79 1.54 -0.85 -2.12 0.00 0.00 175.29 173.14 2jtd n GLU 13 N 5.45 1.12 -2.47 2.91 0.00 -1.26 -4.70 120.64 121.69 2jtd n GLU 13 Ca -0.09 -0.19 -0.39 0.00 0.00 0.00 0.00 57.16 56.50 2jtd n GLU 13 Cb 0.47 -1.25 -0.03 0.00 0.00 0.00 0.00 31.44 30.64 2jtd n GLU 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jtd s HIS 14 N -1.96 2.46 -0.41 -1.84 2.46 -1.26 -4.93 115.29 109.81 2jtd s HIS 14 Ca 0.23 -0.75 -0.16 0.00 0.47 0.00 0.00 55.06 54.85 2jtd s HIS 14 Cb 0.11 -4.59 0.02 0.00 -0.13 0.00 0.00 32.58 27.99 2jtd s HIS 14 CO 0.18 -1.84 0.39 0.15 -2.47 0.00 0.00 174.74 171.14 2jtd s LYS 15 N 5.17 3.08 0.02 2.88 -0.14 -1.26 -4.98 119.74 124.51 2jtd s LYS 15 Ca 0.52 -0.82 -0.26 0.00 -1.36 0.00 0.00 55.97 54.05 2jtd s LYS 15 Cb -0.00 -3.96 -0.17 0.00 -1.68 0.00 0.00 37.83 32.01 2jtd s LYS 15 CO -0.03 -0.80 1.37 0.35 -0.76 0.00 0.00 175.35 175.48 2jtd h PHE 16 N 8.69 -0.28 -0.39 3.18 3.57 -2.01 -3.25 116.94 126.45 2jtd h PHE 16 Ca -0.27 -0.01 -0.72 0.00 3.53 0.00 0.00 57.97 60.51 2jtd h PHE 16 Cb 1.12 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 2jtd h PHE 16 CO 0.60 0.02 2.93 -0.35 -2.23 0.00 0.00 178.31 179.28 2jtd n PRO 17 N -5.10 3.24 -2.33 6.41 -0.04 -1.26 -4.97 135.00 130.95 2jtd n PRO 17 Ca -0.09 -2.81 -0.28 0.00 -0.04 0.00 0.00 63.50 60.27 2jtd n PRO 17 Cb 0.23 -3.10 0.02 0.00 -0.04 0.00 0.00 33.50 30.60 2jtd n PRO 17 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jtd s THR 18 N 2.16 4.15 0.57 0.52 -4.23 -1.23 -5.09 115.64 112.49 2jtd s THR 18 Ca 0.49 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2jtd s THR 18 Cb 0.14 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2jtd s THR 18 CO -0.06 -0.69 0.92 0.68 -0.54 0.00 0.00 174.62 174.92 2jtd s VAL 19 N -2.99 4.54 -0.34 2.29 -7.23 -1.26 -4.95 120.40 110.47 2jtd s VAL 19 Ca 0.53 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 2jtd s VAL 19 Cb -0.11 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.05 2jtd s VAL 19 CO 0.47 -0.90 0.55 -0.81 -0.31 0.00 0.00 175.10 174.11 2jtd n PRO 20 N -2.56 0.67 -3.63 4.82 -0.04 -1.26 -4.64 135.00 128.36 2jtd n PRO 20 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 2jtd n PRO 20 Cb 0.55 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 2jtd n PRO 20 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jtd s THR 21 N -0.12 0.01 -1.25 0.52 2.01 -1.26 -5.05 115.64 110.50 2jtd s THR 21 Ca 0.00 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 2jtd s THR 21 Cb 0.00 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.67 2jtd s THR 21 CO 0.00 -0.03 1.74 -0.54 -0.69 0.00 0.00 174.62 175.10 2jtd s LYS 22 N -0.31 3.73 -0.11 4.92 -0.14 -1.26 -4.25 119.74 122.32 2jtd s LYS 22 Ca -0.05 -1.77 0.12 0.00 -1.36 0.00 0.00 55.97 52.91 2jtd s LYS 22 Cb -0.03 -5.47 0.25 0.00 -1.68 0.00 0.00 37.83 30.90 2jtd s LYS 22 CO 0.04 -2.51 1.17 0.43 -0.76 0.00 0.00 175.35 173.73 2jtd n SER 23 N 9.34 -0.32 -4.76 2.83 7.64 -1.18 -1.97 113.62 125.21 2jtd n SER 23 Ca 0.47 -2.05 -0.37 0.00 1.01 0.00 0.00 58.87 57.92 2jtd n SER 23 Cb 0.47 0.15 0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2jtd n SER 23 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jtd s GLU 24 N -0.43 3.34 -0.22 1.43 2.56 -1.25 -4.59 118.70 119.54 2jtd s GLU 24 Ca 0.13 1.95 -0.03 0.00 0.00 0.00 0.00 54.97 57.02 2jtd s GLU 24 Cb 0.23 -2.23 0.07 0.00 2.00 0.00 0.00 34.13 34.20 2jtd s GLU 24 CO -0.07 -0.95 0.07 -1.17 -0.56 0.00 0.00 175.26 172.59 2jtd s LEU 25 N -3.47 0.98 0.16 2.70 1.98 -1.26 -3.63 118.68 116.13 2jtd s LEU 25 Ca 0.70 -0.95 0.07 0.00 -2.89 0.00 0.00 54.13 51.05 2jtd s LEU 25 Cb -0.33 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.98 2jtd s LEU 25 CO 0.39 -0.36 -0.14 0.00 -1.89 0.00 0.00 176.35 174.35 2jtd s ALA 26 N 1.95 1.74 -0.11 5.97 0.00 -1.21 -5.02 121.76 125.07 2jtd s ALA 26 Ca 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.44 2jtd s ALA 26 Cb -0.17 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 22.95 2jtd s ALA 26 CO -0.16 0.06 0.23 0.54 0.00 0.00 0.00 175.76 176.44 2jtd s VAL 27 N -2.71 -0.32 -0.08 0.00 0.11 -1.26 -3.09 120.40 113.04 2jtd s VAL 27 Ca 0.17 0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 59.47 2jtd s VAL 27 Cb -0.02 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2jtd s VAL 27 CO 0.04 0.12 0.04 -1.61 -3.33 0.00 0.00 175.10 170.36 2jtd s GLU 28 N 2.21 3.08 -0.20 1.54 0.41 0.74 -4.99 118.70 121.50 2jtd s GLU 28 Ca 0.00 -0.36 0.01 0.00 -0.41 0.00 0.00 54.97 54.21 2jtd s GLU 28 Cb -0.12 -2.88 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 2jtd s GLU 28 CO -0.08 0.71 -0.17 0.42 -0.49 0.00 0.00 175.26 175.66 2jtd s ILE 29 N -0.95 2.20 -0.07 -1.63 1.09 -1.26 0.67 121.20 121.25 2jtd s ILE 29 Ca 0.15 -1.04 -0.23 0.00 -1.10 0.00 0.00 60.65 58.43 2jtd s ILE 29 Cb -0.12 -2.00 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 2jtd s ILE 29 CO 0.04 0.42 0.68 -0.76 -0.10 0.00 0.00 174.94 175.22 2jtd s LEU 30 N 1.27 4.32 0.00 2.97 2.01 0.24 -3.44 118.68 126.04 2jtd s LEU 30 Ca 0.02 1.16 0.01 0.00 0.01 0.00 0.00 54.13 55.34 2jtd s LEU 30 Cb -0.14 -3.05 0.07 0.00 0.01 0.00 0.00 46.19 43.08 2jtd s LEU 30 CO -0.11 -0.10 0.49 -1.84 1.01 0.00 0.00 176.35 175.80 2jtd n GLU 31 N 3.75 0.42 -0.30 1.70 0.28 -1.23 -2.13 120.64 123.14 2jtd n GLU 31 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2jtd n GLU 31 Cb 0.51 -1.04 0.22 0.00 1.43 0.00 0.00 31.44 32.56 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jtd n LYS 32 N -0.54 2.34 -1.92 3.44 4.76 -1.26 -4.87 118.16 120.10 2jtd n LYS 32 Ca 0.01 -1.81 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2jtd n LYS 32 Cb 0.00 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jtd n GLY 33 N 1.16 0.53 2.99 0.72 0.00 -0.90 -5.06 105.19 104.63 2jtd n GLY 33 Ca 0.17 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 2jtd n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jtd s GLN 34 N -3.89 0.86 -0.11 1.61 2.00 -1.05 -4.51 119.66 114.57 2jtd s GLN 34 Ca 0.00 -0.28 -0.04 0.00 -2.00 0.00 0.00 55.36 53.03 2jtd s GLN 34 Cb 0.00 -0.82 -0.04 0.00 0.80 0.00 0.00 33.01 32.95 2jtd s GLN 34 CO 0.00 0.12 0.05 0.54 -0.50 0.00 0.00 175.29 175.49 2jtd s VAL 35 N 0.14 4.70 -0.57 1.34 0.11 -1.22 -0.59 120.40 124.31 2jtd s VAL 35 Ca -0.02 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2jtd s VAL 35 Cb -0.07 -3.02 0.15 0.00 -1.53 0.00 0.00 36.38 31.90 2jtd s VAL 35 CO 0.00 0.58 0.42 -0.60 -3.33 0.00 0.00 175.10 172.17 2jtd s ARG 36 N -0.66 2.60 -0.12 1.54 6.06 0.21 -4.12 118.95 124.46 2jtd s ARG 36 Ca 0.11 -2.17 -0.02 0.00 -2.50 0.00 0.00 55.73 51.15 2jtd s ARG 36 Cb -0.12 -3.87 -0.03 0.00 0.06 0.00 0.00 34.95 30.99 2jtd s ARG 36 CO 0.02 -1.18 -0.03 0.12 -2.50 0.00 0.00 175.30 171.73 2jtd s PHE 37 N 0.60 3.05 0.02 5.12 5.36 -1.16 -0.18 117.98 130.79 2jtd s PHE 37 Ca 0.12 -0.08 -0.06 0.00 -0.96 0.00 0.00 56.93 55.95 2jtd s PHE 37 Cb -0.21 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 2jtd s PHE 37 CO -0.03 0.19 0.10 1.67 -1.46 0.00 0.00 175.22 175.68 2jtd s TRP 38 N -0.22 0.13 -0.15 10.12 1.48 -1.18 -1.41 118.94 127.70 2jtd s TRP 38 Ca 0.04 -0.31 -0.12 0.00 -1.06 0.00 0.00 56.10 54.65 2jtd s TRP 38 Cb -0.13 -0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.13 2jtd s TRP 38 CO 0.02 -0.30 0.39 0.00 -4.06 0.00 0.00 176.95 173.01 2jtd s MET 39 N -1.78 0.43 -0.25 3.25 0.23 -0.93 -3.35 119.30 116.89 2jtd s MET 39 Ca -0.12 0.64 -0.03 0.00 -1.03 0.00 0.00 55.69 55.15 2jtd s MET 39 Cb -0.06 0.12 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 2jtd s MET 39 CO -0.01 -0.10 -0.03 -1.14 -2.03 0.00 0.00 175.02 171.71 2jtd s GLN 40 N 0.69 3.02 -0.19 3.16 0.74 -1.24 -1.00 119.66 124.83 2jtd s GLN 40 Ca -0.04 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.47 2jtd s GLN 40 Cb -0.05 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 2jtd s GLN 40 CO -0.05 -0.35 -0.03 0.00 -0.55 0.00 0.00 175.29 174.30 2jtd s ALA 41 N 1.39 2.91 -0.92 1.58 0.00 -0.05 -3.09 121.76 123.58 2jtd s ALA 41 Ca 0.02 -1.01 0.28 0.00 0.00 0.00 0.00 51.96 51.25 2jtd s ALA 41 Cb -0.16 -1.65 1.01 0.00 0.00 0.00 0.00 23.12 22.31 2jtd s ALA 41 CO -0.03 -0.13 1.80 -0.85 0.00 0.00 0.00 175.76 176.55 2jtd n GLU 42 N 4.22 0.08 -3.85 0.00 0.28 -0.83 -4.59 120.64 115.94 2jtd n GLU 42 Ca -0.18 0.05 -0.35 0.00 -0.16 0.00 0.00 57.16 56.53 2jtd n GLU 42 Cb 0.52 -1.58 -0.13 0.00 1.43 0.00 0.00 31.44 31.68 2jtd n GLU 42 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2jtd s LYS 43 N -3.03 1.94 0.00 3.44 1.02 -1.26 -4.90 119.74 116.96 2jtd s LYS 43 Ca 0.12 -1.75 0.22 0.00 0.02 0.00 0.00 55.97 54.58 2jtd s LYS 43 Cb 0.17 -3.43 -0.14 0.00 -0.52 0.00 0.00 37.83 33.90 2jtd s LYS 43 CO 0.58 -0.97 0.88 1.28 -0.92 0.00 0.00 175.35 176.20 2jtd n LEU 44 N 4.52 0.70 -3.33 3.17 7.99 -1.26 -4.77 117.00 124.02 2jtd n LEU 44 Ca -0.02 -0.28 -0.12 0.00 -0.01 0.00 0.00 56.01 55.58 2jtd n LEU 44 Cb 0.42 -0.04 -0.07 0.00 -0.11 0.00 0.00 43.42 43.62 2jtd n LEU 44 CO 0.29 0.15 -0.10 -0.44 -1.51 0.00 0.00 177.39 175.79 2jtd s SER 45 N -3.46 0.70 0.08 -1.43 0.01 -1.26 -5.04 113.70 103.29 2jtd s SER 45 Ca 0.04 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 56.44 2jtd s SER 45 Cb 0.15 0.92 0.05 0.00 0.21 0.00 0.00 66.02 67.35 2jtd s SER 45 CO 0.85 -0.33 0.65 -1.54 0.41 0.00 0.00 173.24 173.28 2jtd n SER 46 N 5.07 -0.94 -4.53 2.44 3.41 -1.26 -5.08 113.62 112.73 2jtd n SER 46 Ca 0.03 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 2jtd n SER 46 Cb 0.48 1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.92 2jtd n SER 46 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jtd s ASN 47 N -2.51 6.48 0.22 4.04 -0.87 -1.26 -4.89 114.94 116.15 2jtd s ASN 47 Ca 0.15 -1.48 -0.22 0.00 -1.57 0.00 0.00 52.86 49.74 2jtd s ASN 47 Cb -0.01 -2.52 0.07 0.00 -0.02 0.00 0.00 41.25 38.76 2jtd s ASN 47 CO 0.02 -1.43 0.96 0.00 -2.57 0.00 0.00 177.10 174.09 2jtd s ALA 48 N 4.44 -1.43 0.12 0.60 0.00 -1.26 -4.75 121.76 119.49 2jtd s ALA 48 Ca 0.41 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 2jtd s ALA 48 Cb -0.03 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2jtd s ALA 48 CO -0.07 -1.04 0.52 -1.59 0.00 0.00 0.00 175.76 173.58 2jtd s LYS 49 N -2.52 1.16 -0.24 0.00 -2.85 -1.21 -5.04 119.74 109.04 2jtd s LYS 49 Ca 0.18 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 2jtd s LYS 49 Cb -0.03 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.33 2jtd s LYS 49 CO 0.06 -0.47 -0.03 0.54 0.10 0.00 0.00 175.35 175.55 2jtd s VAL 50 N -3.49 1.39 -0.34 1.79 0.11 -1.26 -0.75 120.40 117.86 2jtd s VAL 50 Ca 0.00 -1.18 -0.19 0.00 -2.93 0.00 0.00 61.98 57.68 2jtd s VAL 50 Cb 0.00 -1.72 -0.00 0.00 -1.53 0.00 0.00 36.38 33.13 2jtd s VAL 50 CO -0.10 -0.16 0.58 -0.44 -3.33 0.00 0.00 175.10 171.65 2jtd s SER 51 N 1.45 6.40 -0.84 3.54 0.01 0.90 -4.96 113.70 120.20 2jtd s SER 51 Ca -0.04 0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.23 2jtd s SER 51 Cb -0.19 -2.30 0.16 0.00 0.21 0.00 0.00 66.02 63.90 2jtd s SER 51 CO -0.07 -0.51 0.93 -0.31 0.41 0.00 0.00 173.24 173.69 2jtd s TYR 52 N 2.55 3.34 -0.39 2.43 2.02 -1.26 -1.57 117.35 124.47 2jtd s TYR 52 Ca 0.22 -1.55 -0.14 0.00 -0.37 0.00 0.00 57.07 55.23 2jtd s TYR 52 Cb -0.15 -4.07 0.01 0.00 -0.40 0.00 0.00 41.96 37.35 2jtd s TYR 52 CO 0.13 -1.28 0.29 0.42 -1.57 0.00 0.00 175.55 173.54 2jtd s ILE 53 N 1.75 5.26 -0.47 2.71 -1.09 -0.30 -2.82 121.20 126.25 2jtd s ILE 53 Ca 0.24 -0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 2jtd s ILE 53 Cb -0.10 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 37.01 2jtd s ILE 53 CO -0.07 -0.23 0.37 0.12 -1.23 0.00 0.00 174.94 173.89 2jtd s PHE 54 N 1.70 3.32 -1.46 3.97 5.36 0.70 0.46 117.98 132.03 2jtd s PHE 54 Ca 0.05 -1.41 -0.07 0.00 -0.96 0.00 0.00 56.93 54.54 2jtd s PHE 54 Cb -0.19 -3.32 0.03 0.00 -0.34 0.00 0.00 43.02 39.21 2jtd s PHE 54 CO 0.10 -0.91 0.69 -1.71 -1.46 0.00 0.00 175.22 171.94 2jtd n ASN 55 N 5.06 -5.42 -0.48 6.13 4.05 0.95 -0.41 115.26 125.14 2jtd n ASN 55 Ca -0.11 -0.40 -0.06 0.00 0.45 0.00 0.00 54.58 54.46 2jtd n ASN 55 Cb 0.42 -4.37 -0.03 0.00 1.23 0.00 0.00 39.78 37.03 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 -4.16 -0.48 -4.90 1.20 1.02 -1.26 -5.03 120.64 107.03 2jtd n GLU 56 Ca -0.06 0.69 -0.33 0.00 -0.02 0.00 0.00 57.16 57.45 2jtd n GLU 56 Cb 0.58 -4.45 -0.14 0.00 -0.02 0.00 0.00 31.44 27.41 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 -2.42 2.92 -0.17 3.49 -0.14 0.45 -5.09 119.74 118.79 2jtd s LYS 57 Ca 0.00 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 2jtd s LYS 57 Cb 0.00 -2.46 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 2jtd s LYS 57 CO 0.00 0.39 1.20 -1.21 -0.76 0.00 0.00 175.35 174.98 2jtd s GLU 58 N -0.14 4.25 0.43 1.68 8.01 -1.26 -0.21 118.70 131.46 2jtd s GLU 58 Ca -0.02 1.59 0.04 0.00 0.01 0.00 0.00 54.97 56.59 2jtd s GLU 58 Cb -0.14 -3.71 0.00 0.00 -4.31 0.00 0.00 34.13 25.97 2jtd s GLU 58 CO 0.04 -0.66 0.61 0.96 0.01 0.00 0.00 175.26 176.22 2jtd s ILE 59 N 3.28 3.58 0.30 -1.63 -4.36 -1.13 -4.96 121.20 116.29 2jtd s ILE 59 Ca 0.52 -0.77 0.05 0.00 -0.26 0.00 0.00 60.65 60.19 2jtd s ILE 59 Cb -0.20 -3.28 -0.02 0.00 1.25 0.00 0.00 42.46 40.21 2jtd s ILE 59 CO 0.14 -0.15 0.18 0.49 0.24 0.00 0.00 174.94 175.83 2jtd n PHE 60 N -1.96 -0.30 -1.97 1.37 3.72 -1.26 -4.92 117.46 112.14 2jtd n PHE 60 Ca 0.03 -2.24 -0.42 0.00 -0.05 0.00 0.00 57.45 54.78 2jtd n PHE 60 Cb 0.58 0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 39.22 2jtd n PHE 60 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2jtd s GLU 61 N -3.19 4.18 0.28 -1.08 -6.30 -1.26 -4.74 118.70 106.59 2jtd s GLU 61 Ca 0.25 2.24 -0.06 0.00 -2.50 0.00 0.00 54.97 54.90 2jtd s GLU 61 Cb 0.01 -3.96 -0.01 0.00 0.00 0.00 0.00 34.13 30.18 2jtd s GLU 61 CO 0.18 -0.84 0.41 0.20 0.02 0.00 0.00 175.26 175.23 2jtd s GLY 62 N 3.32 1.16 0.22 -1.50 0.00 -0.06 -4.99 107.32 105.47 2jtd s GLY 62 Ca 0.75 -1.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 2jtd s GLY 62 CO 0.31 -0.95 1.81 -0.56 0.00 0.00 0.00 173.10 173.71 2jtd h PRO 63 N 2.26 0.72 0.00 2.90 0.13 -1.99 -2.96 132.00 133.06 2jtd h PRO 63 Ca -0.29 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2jtd h PRO 63 Cb 1.25 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jtd h PRO 63 CO 0.40 0.48 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.40 2jtd h LYS 64 N 0.74 0.00 -4.50 0.86 3.11 -1.94 -3.40 116.57 111.45 2jtd h LYS 64 Ca 0.33 0.00 -0.73 0.00 -2.81 0.00 0.00 60.65 57.44 2jtd h LYS 64 Cb 0.23 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 31.33 2jtd h LYS 64 CO -0.20 0.91 2.01 0.66 -2.81 0.00 0.00 179.45 180.02 2jtd n TYR 65 N -4.62 4.09 -2.37 1.91 4.01 -1.13 -3.35 117.16 115.71 2jtd n TYR 65 Ca -0.10 -3.03 -0.43 0.00 -0.16 0.00 0.00 57.90 54.19 2jtd n TYR 65 Cb 0.44 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.20 2jtd n TYR 65 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jtd n LYS 66 N 5.76 3.14 -3.43 -0.72 4.76 -1.16 -0.88 118.16 125.63 2jtd n LYS 66 Ca 0.43 -3.16 -0.38 0.00 -2.87 0.00 0.00 58.31 52.32 2jtd n LYS 66 Cb 0.41 -3.37 -0.09 0.00 -1.84 0.00 0.00 35.03 30.15 2jtd n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2jtd s MET 67 N 3.48 4.06 -0.38 1.97 -1.94 -1.26 -1.44 119.30 123.78 2jtd s MET 67 Ca 0.50 0.03 0.03 0.00 -1.71 0.00 0.00 55.69 54.55 2jtd s MET 67 Cb 0.06 -3.61 0.11 0.00 2.01 0.00 0.00 34.83 33.40 2jtd s MET 67 CO 0.02 -0.17 0.12 -1.01 -0.01 0.00 0.00 175.02 173.96 2jtd s HIS 68 N 1.74 3.18 0.02 -0.03 3.76 -0.94 -4.81 115.29 118.21 2jtd s HIS 68 Ca 0.15 -2.80 -0.30 0.00 -0.15 0.00 0.00 55.06 51.96 2jtd s HIS 68 Cb -0.15 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 2jtd s HIS 68 CO 0.09 -0.88 0.98 0.96 -0.85 0.00 0.00 174.74 175.04 2jtd s ILE 69 N 0.72 4.79 -0.21 0.60 -4.36 -1.26 -3.57 121.20 117.90 2jtd s ILE 69 Ca 0.13 2.05 -0.00 0.00 -0.26 0.00 0.00 60.65 62.57 2jtd s ILE 69 Cb -0.21 -4.31 0.05 0.00 1.25 0.00 0.00 42.46 39.24 2jtd s ILE 69 CO -0.08 0.19 -0.04 -0.62 0.24 0.00 0.00 174.94 174.62 2jtd s ASP 70 N 0.83 3.42 0.00 4.36 2.15 -1.25 -4.98 116.67 121.20 2jtd s ASP 70 Ca 0.51 -0.97 0.30 0.00 0.43 0.00 0.00 52.55 52.82 2jtd s ASP 70 Cb -0.22 -1.02 1.45 0.00 -0.30 0.00 0.00 42.92 42.83 2jtd s ASP 70 CO 0.28 -0.23 2.01 0.54 -0.17 0.00 0.00 175.17 177.61 2jtd n ARG 71 N 4.78 0.48 0.09 4.34 3.00 -1.26 -1.15 116.66 126.93 2jtd n ARG 71 Ca -0.12 -0.05 0.04 0.00 -0.01 0.00 0.00 57.85 57.72 2jtd n ARG 71 Cb 0.46 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 2jtd n ARG 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jtd h ASN 72 N 0.11 0.00 0.00 0.55 2.35 -1.97 -3.39 115.58 113.23 2jtd h ASN 72 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jtd h ASN 72 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2jtd h ASN 72 CO 0.00 0.37 -1.07 0.35 -1.65 0.00 0.00 177.43 175.43 2jtd n THR 73 N -2.92 0.07 -0.51 2.81 -2.24 -1.22 -5.01 114.28 105.28 2jtd n THR 73 Ca -0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jtd n THR 73 Cb 0.72 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 3.15 0.75 3.49 3.38 0.00 -0.30 -4.95 105.19 110.71 2jtd n GLY 74 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.64 5.21 -0.44 -0.61 -1.09 -1.25 -0.87 121.20 119.52 2jtd s ILE 75 Ca 0.00 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 57.96 2jtd s ILE 75 Cb 0.00 -3.91 0.12 0.00 -1.58 0.00 0.00 42.46 37.09 2jtd s ILE 75 CO 0.00 -0.27 0.24 -0.63 -1.23 0.00 0.00 174.94 173.05 2jtd s ILE 76 N 1.84 3.32 -0.00 2.92 1.01 -0.17 -3.97 121.20 126.15 2jtd s ILE 76 Ca 0.08 -2.20 -0.07 0.00 0.00 0.00 0.00 60.65 58.46 2jtd s ILE 76 Cb -0.18 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2jtd s ILE 76 CO 0.11 -0.72 0.26 -1.61 0.00 0.00 0.00 174.94 172.98 2jtd s GLU 77 N 0.96 3.58 -0.20 2.79 0.41 -1.23 -2.19 118.70 122.81 2jtd s GLU 77 Ca 0.10 -0.07 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 2jtd s GLU 77 Cb -0.22 -3.09 0.04 0.00 -1.78 0.00 0.00 34.13 29.08 2jtd s GLU 77 CO -0.04 0.66 -0.11 1.41 -0.49 0.00 0.00 175.26 176.68 2jtd s MET 78 N -1.69 2.16 -0.72 1.61 -2.45 -0.50 -2.22 119.30 115.48 2jtd s MET 78 Ca 0.26 -0.90 -0.06 0.00 -1.25 0.00 0.00 55.69 53.75 2jtd s MET 78 Cb -0.13 -2.48 0.19 0.00 1.25 0.00 0.00 34.83 33.65 2jtd s MET 78 CO 0.15 -0.42 0.58 0.12 1.05 0.00 0.00 175.02 176.50 2jtd s PHE 79 N 1.35 3.57 0.12 4.11 5.36 -0.52 -2.97 117.98 129.00 2jtd s PHE 79 Ca -0.01 -2.58 -0.06 0.00 -0.96 0.00 0.00 56.93 53.31 2jtd s PHE 79 Cb -0.16 -3.37 -0.06 0.00 -0.34 0.00 0.00 43.02 39.09 2jtd s PHE 79 CO -0.08 -0.87 0.38 -1.64 -1.46 0.00 0.00 175.22 171.55 2jtd s MET 80 N -0.21 3.66 -0.02 10.12 -1.94 -1.26 -3.99 119.30 125.66 2jtd s MET 80 Ca 0.19 -0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.17 2jtd s MET 80 Cb -0.16 -2.90 0.02 0.00 2.01 0.00 0.00 34.83 33.81 2jtd s MET 80 CO -0.06 0.50 0.02 -1.83 -0.01 0.00 0.00 175.02 173.64 2jtd s GLU 81 N -2.39 0.06 0.35 2.03 -1.05 -1.21 -3.40 118.70 113.08 2jtd s GLU 81 Ca 0.38 0.12 -0.29 0.00 -0.15 0.00 0.00 54.97 55.03 2jtd s GLU 81 Cb -0.13 -0.26 -0.11 0.00 -0.44 0.00 0.00 34.13 33.20 2jtd s GLU 81 CO 0.22 -0.12 1.42 -1.59 0.95 0.00 0.00 175.26 176.14 2jtd s LYS 82 N 0.83 4.21 -0.08 -4.83 0.00 -1.26 -4.61 119.74 113.99 2jtd s LYS 82 Ca -0.07 2.42 -0.04 0.00 0.00 0.00 0.00 55.97 58.28 2jtd s LYS 82 Cb -0.10 -3.02 -0.04 0.00 0.00 0.00 0.00 37.83 34.67 2jtd s LYS 82 CO -0.02 -0.40 -0.11 -0.11 0.00 0.00 0.00 175.35 174.71 2jtd n LEU 83 N 0.81 0.70 -4.58 2.77 7.94 -1.26 -5.09 117.00 118.29 2jtd n LEU 83 Ca 0.01 0.10 -0.28 0.00 -1.11 0.00 0.00 56.01 54.73 2jtd n LEU 83 Cb 0.40 -0.25 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 2jtd n LEU 83 CO 0.62 0.19 -0.20 -1.10 -1.11 0.00 0.00 177.39 175.79 2jtd s GLN 84 N -2.15 2.03 0.13 1.96 -1.52 -1.26 -5.02 119.66 113.82 2jtd s GLN 84 Ca -0.12 -2.26 0.02 0.00 -1.95 0.00 0.00 55.36 51.05 2jtd s GLN 84 Cb 0.04 -0.79 -0.14 0.00 -0.22 0.00 0.00 33.01 31.91 2jtd s GLN 84 CO 0.15 -0.49 1.29 -0.44 -0.25 0.00 0.00 175.29 175.55 2jtd h ASP 85 N 1.65 0.23 -0.35 5.90 3.32 -1.99 -2.99 116.42 122.18 2jtd h ASP 85 Ca -0.37 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2jtd h ASP 85 Cb 1.29 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2jtd h ASP 85 CO 0.59 1.10 0.00 -1.84 -1.72 0.00 0.00 179.24 177.37 2jtd n GLU 86 N -3.54 2.09 0.03 3.56 0.28 -1.26 -3.95 120.64 117.85 2jtd n GLU 86 Ca -0.04 -1.38 0.08 0.00 -0.16 0.00 0.00 57.16 55.65 2jtd n GLU 86 Cb 0.90 -1.42 -0.09 0.00 1.43 0.00 0.00 31.44 32.26 2jtd n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jtd n ASP 87 N 0.53 0.44 -4.90 -1.84 2.03 -1.13 -4.88 116.55 106.80 2jtd n ASP 87 Ca 0.13 0.18 -0.34 0.00 0.52 0.00 0.00 54.79 55.28 2jtd n ASP 87 Cb 0.40 1.07 -0.05 0.00 -0.72 0.00 0.00 41.12 41.82 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jtd s GLU 88 N -3.29 3.46 0.00 -0.67 2.56 -1.25 -4.91 118.70 114.59 2jtd s GLU 88 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 54.66 2jtd s GLU 88 Cb 0.11 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.14 2jtd s GLU 88 CO 0.84 0.68 0.00 0.41 -0.56 0.00 0.00 175.26 176.63 2jtd n GLY 89 N 1.05 2.40 3.59 -1.50 0.00 -0.75 -4.81 105.19 105.17 2jtd n GLY 89 Ca -0.12 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.82 5.05 -0.45 2.61 2.01 -1.26 -1.28 115.64 120.50 2jtd s THR 90 Ca 0.00 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.49 2jtd s THR 90 Cb 0.00 -3.88 0.08 0.00 0.01 0.00 0.00 72.50 68.71 2jtd s THR 90 CO 0.00 -0.05 0.33 -0.31 -0.69 0.00 0.00 174.62 173.89 2jtd s TYR 91 N 2.34 3.30 -0.36 4.92 1.51 0.15 -0.04 117.35 129.17 2jtd s TYR 91 Ca 0.20 -1.29 -0.13 0.00 -1.01 0.00 0.00 57.07 54.83 2jtd s TYR 91 Cb -0.15 -3.09 -0.01 0.00 -0.11 0.00 0.00 41.96 38.60 2jtd s TYR 91 CO 0.11 -0.84 0.25 0.99 -1.11 0.00 0.00 175.55 174.96 2jtd s THR 92 N 1.52 5.24 -0.30 -0.71 2.01 0.17 0.23 115.64 123.80 2jtd s THR 92 Ca 0.04 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2jtd s THR 92 Cb -0.24 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2jtd s THR 92 CO 0.04 -0.09 0.19 -0.36 -0.69 0.00 0.00 174.62 173.71 2jtd s PHE 93 N 1.71 3.20 -0.32 4.92 0.08 0.10 -1.15 117.98 126.52 2jtd s PHE 93 Ca 0.06 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2jtd s PHE 93 Cb -0.18 -2.39 0.08 0.00 -0.57 0.00 0.00 43.02 39.96 2jtd s PHE 93 CO 0.10 -0.28 0.02 -1.14 -0.10 0.00 0.00 175.22 173.82 2jtd s GLN 94 N 1.72 2.02 -0.55 0.44 0.74 -0.61 -1.07 119.66 122.35 2jtd s GLN 94 Ca 0.06 -1.57 -0.20 0.00 0.05 0.00 0.00 55.36 53.71 2jtd s GLN 94 Cb -0.16 -3.18 0.07 0.00 1.10 0.00 0.00 33.01 30.84 2jtd s GLN 94 CO 0.10 -0.78 0.70 0.42 -0.55 0.00 0.00 175.29 175.17 2jtd s ILE 95 N 1.09 4.78 -1.25 -2.34 1.09 0.86 -0.07 121.20 125.36 2jtd s ILE 95 Ca 0.01 -0.61 -0.14 0.00 -1.10 0.00 0.00 60.65 58.81 2jtd s ILE 95 Cb -0.20 -4.41 0.14 0.00 -1.06 0.00 0.00 42.46 36.93 2jtd s ILE 95 CO -0.05 -0.99 1.58 1.67 -0.10 0.00 0.00 174.94 177.06 2jtd n GLN 96 N 6.43 3.33 -3.19 2.79 7.27 0.07 -1.93 117.38 132.16 2jtd n GLN 96 Ca -0.07 -3.63 -0.28 0.00 0.07 0.00 0.00 57.00 53.08 2jtd n GLN 96 Cb 0.44 -3.16 -0.03 0.00 2.41 0.00 0.00 30.24 29.91 2jtd n GLN 96 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2jtd s ASP 97 N 3.01 6.43 0.45 1.69 2.15 -1.26 -3.31 116.67 125.84 2jtd s ASP 97 Ca 0.46 0.79 0.12 0.00 0.43 0.00 0.00 52.55 54.34 2jtd s ASP 97 Cb 0.01 -2.18 1.02 0.00 -0.30 0.00 0.00 42.92 41.47 2jtd s ASP 97 CO 0.02 -0.28 2.06 1.23 -0.17 0.00 0.00 175.17 178.04 2jtd h GLY 98 N 1.39 0.24 0.00 2.66 0.00 -1.93 -3.37 103.07 102.06 2jtd h GLY 98 Ca -0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2jtd h GLY 98 CO 0.65 0.10 -0.31 0.28 0.00 0.00 0.00 176.54 177.26 2jtd n LYS 99 N -4.45 0.10 -3.00 4.80 5.02 -1.26 -4.90 118.16 114.48 2jtd n LYS 99 Ca -0.01 0.04 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 2jtd n LYS 99 Cb 0.13 -0.68 -0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jtd s ALA 100 N -2.16 4.05 -0.97 7.82 0.00 -1.26 -4.94 121.76 124.29 2jtd s ALA 100 Ca -0.06 -3.38 -0.24 0.00 0.00 0.00 0.00 51.96 48.29 2jtd s ALA 100 Cb 0.01 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 19.09 2jtd s ALA 100 CO 0.08 -2.71 1.68 0.99 0.00 0.00 0.00 175.76 175.80 2jtd s THR 101 N 1.30 3.71 -0.43 0.00 2.01 -1.26 -4.00 115.64 116.97 2jtd s THR 101 Ca 0.40 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 2jtd s THR 101 Cb -0.04 -4.58 0.02 0.00 0.01 0.00 0.00 72.50 67.91 2jtd s THR 101 CO -0.02 -1.48 1.03 -0.83 -0.69 0.00 0.00 174.62 172.62 2jtd s GLY 102 N 6.36 1.44 -0.04 4.40 0.00 -0.81 -4.91 107.32 113.76 2jtd s GLY 102 Ca 0.57 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.86 2jtd s GLY 102 CO -0.05 2.21 -0.24 -2.38 0.00 0.00 0.00 173.10 172.63 2jtd s HIS 103 N 3.94 2.28 -0.22 1.90 -3.43 -1.26 -0.10 115.29 118.41 2jtd s HIS 103 Ca 0.43 -0.56 -0.03 0.00 -0.80 0.00 0.00 55.06 54.09 2jtd s HIS 103 Cb -0.10 -1.49 0.11 0.00 -1.43 0.00 0.00 32.58 29.68 2jtd s HIS 103 CO 0.25 -0.13 0.31 0.45 -2.00 0.00 0.00 174.74 173.62 2jtd s SER 104 N -0.36 0.72 -0.56 7.38 0.15 -0.23 -5.00 113.70 115.80 2jtd s SER 104 Ca 0.03 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.56 2jtd s SER 104 Cb -0.12 0.79 0.08 0.00 -1.71 0.00 0.00 66.02 65.07 2jtd s SER 104 CO 0.01 -0.31 0.68 -0.89 1.20 0.00 0.00 173.24 173.93 2jtd s THR 105 N 2.45 4.83 -0.48 6.45 2.01 -1.26 -0.72 115.64 128.91 2jtd s THR 105 Ca 0.09 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 2jtd s THR 105 Cb -0.15 -4.41 0.08 0.00 0.01 0.00 0.00 72.50 68.03 2jtd s THR 105 CO -0.14 -1.00 0.39 -0.22 -0.69 0.00 0.00 174.62 172.97 2jtd s LEU 106 N 2.70 5.66 -0.31 4.42 2.96 0.14 -4.95 118.68 129.29 2jtd s LEU 106 Ca 0.13 -1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 52.37 2jtd s LEU 106 Cb -0.22 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2jtd s LEU 106 CO 0.09 -0.67 0.78 0.54 -1.32 0.00 0.00 176.35 175.77 2jtd s VAL 107 N 1.60 4.79 -0.46 1.68 0.11 -1.26 0.30 120.40 127.16 2jtd s VAL 107 Ca 0.04 1.16 0.03 0.00 -2.93 0.00 0.00 61.98 60.28 2jtd s VAL 107 Cb -0.25 -4.14 0.15 0.00 -1.53 0.00 0.00 36.38 30.60 2jtd s VAL 107 CO 0.05 -0.25 0.30 -0.76 -3.33 0.00 0.00 175.10 171.11 2jtd s LEU 108 N 2.95 2.46 -0.17 2.54 1.43 -0.40 -4.57 118.68 122.93 2jtd s LEU 108 Ca 0.32 -2.88 0.00 0.00 -1.03 0.00 0.00 54.13 50.54 2jtd s LEU 108 Cb -0.14 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.23 2jtd s LEU 108 CO 0.13 -0.22 -0.09 -0.63 0.23 0.00 0.00 176.35 175.77 2jtd s ILE 109 N 0.08 1.34 0.00 -0.59 1.09 -1.26 -1.81 121.20 120.05 2jtd s ILE 109 Ca 0.23 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 2jtd s ILE 109 Cb -0.14 -1.42 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 2jtd s ILE 109 CO -0.08 0.22 0.00 0.61 -0.10 0.00 0.00 174.94 175.60 2jtd n GLY 110 N 4.81 1.75 0.21 6.18 0.00 -1.26 -1.21 105.19 115.66 2jtd n GLY 110 Ca -0.14 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.36 2jtd n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jtd h ASP 111 N 0.00 0.00 0.89 1.61 3.58 -1.98 -0.98 116.42 119.54 2jtd h ASP 111 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2jtd h ASP 111 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jtd h ASP 111 CO 0.00 0.30 -0.39 0.58 -2.88 0.00 0.00 179.24 176.85 2jtd h VAL 112 N 0.00 0.90 0.08 2.25 2.07 -1.51 -0.91 116.25 119.13 2jtd h VAL 112 Ca -0.00 -1.60 -0.28 0.00 0.82 0.00 0.00 66.70 65.64 2jtd h VAL 112 Cb 0.64 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2jtd h VAL 112 CO 0.04 0.39 -1.38 0.22 0.02 0.00 0.00 177.57 176.85 2jtd h TYR 113 N 0.00 0.31 0.00 1.57 3.20 -1.28 -3.16 116.97 117.60 2jtd h TYR 113 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2jtd h TYR 113 Cb 0.94 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2jtd h TYR 113 CO 0.00 1.24 -0.00 0.36 -1.64 0.00 0.00 178.16 178.12 2jtd n LYS 114 N -3.40 0.10 0.29 1.82 2.85 -0.58 -3.54 118.16 115.69 2jtd n LYS 114 Ca -0.11 0.08 -0.16 0.00 -1.05 0.00 0.00 58.31 57.06 2jtd n LYS 114 Cb 1.02 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 33.70 2jtd n LYS 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2jtd h LYS 115 N 0.00 -0.66 0.00 -1.58 3.64 -1.12 -2.92 116.57 113.93 2jtd h LYS 115 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jtd h LYS 115 Cb 0.59 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2jtd h LYS 115 CO 0.00 -0.42 0.00 -0.07 -2.27 0.00 0.00 179.45 176.69 2jtd h LEU 116 N -0.73 0.00 -0.25 5.20 -0.00 -1.65 -1.76 115.31 116.13 2jtd h LEU 116 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2jtd h LEU 116 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 2jtd h LEU 116 CO 0.12 0.00 0.04 1.56 -0.00 0.00 0.00 178.44 180.15 2jtd h GLN 117 N 0.00 0.12 0.00 1.13 1.08 -1.58 -1.61 115.11 114.25 2jtd h GLN 117 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2jtd h GLN 117 Cb 0.31 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jtd h GLN 117 CO 0.00 0.08 -1.50 1.63 -0.95 0.00 0.00 178.83 178.09 2jtd n LYS 118 N -5.10 0.43 -0.25 1.46 4.76 -1.09 -3.46 118.16 114.91 2jtd n LYS 118 Ca -0.01 -0.10 0.11 0.00 -2.87 0.00 0.00 58.31 55.43 2jtd n LYS 118 Cb 0.11 -1.49 0.27 0.00 -1.84 0.00 0.00 35.03 32.08 2jtd n LYS 118 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jtd n GLU 119 N -1.88 2.45 -0.00 1.97 1.02 -0.68 -4.21 120.64 119.30 2jtd n GLU 119 Ca -0.00 -2.22 -0.04 0.00 -0.02 0.00 0.00 57.16 54.88 2jtd n GLU 119 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.36 2.19 -2.93 0.62 0.00 -0.61 -4.96 120.51 116.18 2jtd n ALA 120 Ca 0.20 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 2jtd n ALA 120 Cb 0.56 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 20.06 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 3.79 0.00 0.00 0.41 -1.22 -4.96 118.70 114.38 2jtd s GLU 121 Ca -0.11 -0.43 0.26 0.00 -0.41 0.00 0.00 54.97 54.28 2jtd s GLU 121 Cb 0.02 -3.19 0.69 0.00 -1.78 0.00 0.00 34.13 29.87 2jtd s GLU 121 CO 0.17 0.10 1.54 1.19 -0.49 0.00 0.00 175.26 177.77