#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 3.68 -0.37 3.49 2.02 -1.26 -5.06 118.70 121.20 2jtd s GLU 2 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 2jtd s GLU 2 Cb 0.00 -3.30 0.05 0.00 0.10 0.00 0.00 34.13 30.97 2jtd s GLU 2 CO 0.00 -0.14 0.18 -1.21 0.02 0.00 0.00 175.26 174.10 2jtd s GLU 3 N 1.49 2.66 0.11 1.61 2.02 -1.26 -4.95 118.70 120.38 2jtd s GLU 3 Ca 0.06 -1.24 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 2jtd s GLU 3 Cb -0.15 -3.63 -0.15 0.00 0.10 0.00 0.00 34.13 30.31 2jtd s GLU 3 CO 0.03 -0.76 1.26 1.98 0.02 0.00 0.00 175.26 177.79 2jtd h MET 4 N 8.33 0.45 0.00 1.61 1.85 -2.02 -3.27 114.93 121.88 2jtd h MET 4 Ca -0.24 -0.52 -0.00 0.00 -0.61 0.00 0.00 59.70 58.34 2jtd h MET 4 Cb 1.09 0.15 -0.00 0.00 0.43 0.00 0.00 31.60 33.27 2jtd h MET 4 CO 0.66 1.17 -0.00 1.57 -0.40 0.00 0.00 176.91 179.91 2jtd h LYS 5 N 0.24 0.00 0.00 0.39 2.10 -2.02 -1.21 116.57 116.06 2jtd h LYS 5 Ca -0.10 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 2jtd h LYS 5 Cb 1.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.98 2jtd h LYS 5 CO 0.18 0.00 -0.42 0.07 -2.00 0.00 0.00 179.45 177.29 2jtd h ARG 6 N 0.00 0.00 -0.37 0.07 0.11 -1.99 -3.19 114.38 109.01 2jtd h ARG 6 Ca -0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2jtd h ARG 6 Cb 0.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 2jtd h ARG 6 CO 0.00 0.42 -0.00 1.25 0.10 0.00 0.00 179.97 181.73 2jtd h LEU 7 N 0.00 0.55 -0.19 0.08 6.46 -1.35 -0.65 115.31 120.21 2jtd h LEU 7 Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2jtd h LEU 7 Cb 1.05 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2jtd h LEU 7 CO 0.05 0.62 0.00 0.18 -0.62 0.00 0.00 178.44 178.67 2jtd n LEU 8 N -4.26 0.70 0.10 2.25 7.99 -1.21 -3.20 117.00 119.37 2jtd n LEU 8 Ca 0.02 0.59 -0.24 0.00 -0.01 0.00 0.00 56.01 56.38 2jtd n LEU 8 Cb 0.26 -0.41 -0.15 0.00 -0.11 0.00 0.00 43.42 43.01 2jtd n LEU 8 CO 0.39 -0.27 -0.39 0.00 -1.51 0.00 0.00 177.39 175.61 2jtd h ALA 9 N 2.48 0.02 -2.82 -1.18 0.00 -1.21 -3.45 119.26 113.09 2jtd h ALA 9 Ca 0.00 -1.01 -0.53 0.00 0.00 0.00 0.00 54.91 53.37 2jtd h ALA 9 Cb 0.61 0.34 0.07 0.00 0.00 0.00 0.00 17.79 18.81 2jtd h ALA 9 CO 0.00 0.85 0.76 -0.51 0.00 0.00 0.00 179.25 180.36 2jtd s LEU 10 N -7.46 4.37 0.19 0.00 2.01 -0.94 -4.78 118.68 112.07 2jtd s LEU 10 Ca -0.13 2.81 -0.14 0.00 0.01 0.00 0.00 54.13 56.67 2jtd s LEU 10 Cb 0.05 -3.64 0.01 0.00 0.01 0.00 0.00 46.19 42.62 2jtd s LEU 10 CO 0.89 -0.74 0.44 -0.44 1.01 0.00 0.00 176.35 177.50 2jtd s SER 11 N 0.11 -0.15 0.52 2.29 0.01 -1.26 -4.99 113.70 110.24 2jtd s SER 11 Ca 0.57 -0.62 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 2jtd s SER 11 Cb -0.44 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.27 2jtd s SER 11 CO 0.50 -1.00 0.92 -1.58 0.41 0.00 0.00 173.24 172.49 2jtd s GLN 12 N -3.91 3.71 0.21 12.44 0.74 -1.26 -4.98 119.66 126.62 2jtd s GLN 12 Ca 0.12 0.65 -0.31 0.00 0.05 0.00 0.00 55.36 55.86 2jtd s GLN 12 Cb 0.00 -2.21 -0.15 0.00 1.10 0.00 0.00 33.01 31.75 2jtd s GLN 12 CO -0.02 -0.32 1.09 -0.85 -0.55 0.00 0.00 175.29 174.65 2jtd n GLU 13 N -2.07 1.17 -3.29 1.67 0.28 -1.26 -4.99 120.64 112.15 2jtd n GLU 13 Ca 0.04 0.41 -0.07 0.00 -0.16 0.00 0.00 57.16 57.38 2jtd n GLU 13 Cb 0.54 -1.86 -0.05 0.00 1.43 0.00 0.00 31.44 31.50 2jtd n GLU 13 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2jtd s HIS 14 N -0.46 -1.10 -0.38 -1.84 2.46 -1.26 -5.13 115.29 107.58 2jtd s HIS 14 Ca 0.69 0.47 -0.21 0.00 0.47 0.00 0.00 55.06 56.48 2jtd s HIS 14 Cb -0.81 -0.08 0.01 0.00 -0.13 0.00 0.00 32.58 31.57 2jtd s HIS 14 CO 0.54 -0.97 0.67 0.21 -2.47 0.00 0.00 174.74 172.72 2jtd s LYS 15 N 2.58 3.58 -0.13 2.88 2.20 -1.26 -4.95 119.74 124.63 2jtd s LYS 15 Ca 0.10 -0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.50 2jtd s LYS 15 Cb -0.12 -3.85 -0.16 0.00 -1.51 0.00 0.00 37.83 32.19 2jtd s LYS 15 CO -0.28 -0.84 0.43 0.35 -0.36 0.00 0.00 175.35 174.65 2jtd h PHE 16 N 8.60 0.00 -4.35 4.03 3.57 -1.99 -3.47 116.94 123.33 2jtd h PHE 16 Ca -0.26 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.73 2jtd h PHE 16 Cb 1.10 0.00 0.08 0.00 2.79 0.00 0.00 35.95 39.92 2jtd h PHE 16 CO 0.75 0.66 0.39 -1.25 -2.23 0.00 0.00 178.31 176.63 2jtd s PRO 17 N -2.01 3.15 -0.58 6.41 0.04 -1.26 -5.00 135.00 135.75 2jtd s PRO 17 Ca -0.13 0.82 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 2jtd s PRO 17 Cb -0.01 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2jtd s PRO 17 CO 0.43 -0.91 0.77 0.99 0.04 0.00 0.00 177.00 178.32 2jtd s THR 18 N -3.12 4.68 -0.15 1.26 2.01 -1.26 -4.99 115.64 114.07 2jtd s THR 18 Ca 0.57 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 2jtd s THR 18 Cb -0.13 -4.49 0.04 0.00 0.01 0.00 0.00 72.50 67.94 2jtd s THR 18 CO 0.54 -1.12 0.38 0.54 -0.69 0.00 0.00 174.62 174.27 2jtd s VAL 19 N 3.11 -0.01 0.53 3.82 0.11 -1.26 -5.04 120.40 121.66 2jtd s VAL 19 Ca 0.17 0.04 0.23 0.00 -2.93 0.00 0.00 61.98 59.48 2jtd s VAL 19 Cb -0.20 -0.54 0.35 0.00 -1.53 0.00 0.00 36.38 34.46 2jtd s VAL 19 CO 0.10 0.02 2.05 1.55 -3.33 0.00 0.00 175.10 175.49 2jtd h PRO 20 N 6.13 0.00 -7.14 1.54 0.13 -2.01 -3.43 132.00 127.22 2jtd h PRO 20 Ca -0.31 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 2jtd h PRO 20 Cb 1.18 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.38 2jtd h PRO 20 CO 0.28 0.00 0.39 0.99 -0.23 0.00 0.00 178.00 179.44 2jtd s THR 21 N -5.00 3.54 -0.24 1.56 2.01 -1.26 -4.96 115.64 111.29 2jtd s THR 21 Ca -0.05 0.83 0.14 0.00 0.31 0.00 0.00 61.69 62.92 2jtd s THR 21 Cb 0.18 -3.32 0.62 0.00 0.01 0.00 0.00 72.50 69.99 2jtd s THR 21 CO 0.70 -0.34 1.57 0.29 -0.69 0.00 0.00 174.62 176.15 2jtd n LYS 22 N -1.70 3.22 -4.08 4.92 4.76 -1.26 -4.91 118.16 119.12 2jtd n LYS 22 Ca 0.10 -3.00 -0.32 0.00 -2.87 0.00 0.00 58.31 52.22 2jtd n LYS 22 Cb 0.52 -1.99 -0.16 0.00 -1.84 0.00 0.00 35.03 31.56 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtd s SER 23 N -1.66 3.15 -0.08 4.39 0.15 -1.25 -3.41 113.70 114.99 2jtd s SER 23 Ca 0.47 -0.69 -0.31 0.00 0.70 0.00 0.00 55.95 56.12 2jtd s SER 23 Cb 0.39 -1.39 0.12 0.00 -1.71 0.00 0.00 66.02 63.43 2jtd s SER 23 CO 0.10 -0.04 1.04 -0.70 1.20 0.00 0.00 173.24 174.84 2jtd s GLU 24 N 1.33 0.59 0.13 5.44 2.56 -0.48 -4.69 118.70 123.58 2jtd s GLU 24 Ca 0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 54.97 54.52 2jtd s GLU 24 Cb -0.14 0.27 -0.07 0.00 2.00 0.00 0.00 34.13 36.19 2jtd s GLU 24 CO -0.11 -0.26 0.79 -1.17 -0.56 0.00 0.00 175.26 173.95 2jtd s LEU 25 N -2.38 4.54 -0.30 2.70 1.98 -1.26 -2.29 118.68 121.67 2jtd s LEU 25 Ca 0.07 1.61 -0.01 0.00 -2.89 0.00 0.00 54.13 52.92 2jtd s LEU 25 Cb -0.01 -3.31 0.10 0.00 0.66 0.00 0.00 46.19 43.63 2jtd s LEU 25 CO -0.07 0.13 0.09 0.00 -1.89 0.00 0.00 176.35 174.61 2jtd s ALA 26 N -0.72 1.57 -0.12 5.97 0.00 -0.77 -4.97 121.76 122.73 2jtd s ALA 26 Ca 0.38 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 2jtd s ALA 26 Cb -0.22 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2jtd s ALA 26 CO 0.26 -1.62 0.04 0.54 0.00 0.00 0.00 175.76 174.98 2jtd s VAL 27 N 1.60 4.63 -0.09 0.00 0.11 -1.26 -2.63 120.40 122.76 2jtd s VAL 27 Ca 0.09 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2jtd s VAL 27 Cb -0.17 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2jtd s VAL 27 CO -0.23 0.57 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.22 2jtd s GLU 28 N -0.51 2.89 -0.09 1.54 2.12 0.49 -5.03 118.70 120.10 2jtd s GLU 28 Ca 0.10 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2jtd s GLU 28 Cb -0.12 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 2jtd s GLU 28 CO 0.02 0.35 -0.16 0.42 -0.54 0.00 0.00 175.26 175.36 2jtd s ILE 29 N -0.06 2.87 -0.03 -3.70 1.01 -1.26 -0.60 121.20 119.43 2jtd s ILE 29 Ca -0.05 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.92 2jtd s ILE 29 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2jtd s ILE 29 CO 0.04 0.55 -0.24 -0.76 0.00 0.00 0.00 174.94 174.54 2jtd s LEU 30 N -0.04 2.04 0.00 2.97 1.43 -0.60 -4.71 118.68 119.77 2jtd s LEU 30 Ca -0.04 -0.46 0.22 0.00 -1.03 0.00 0.00 54.13 52.82 2jtd s LEU 30 Cb -0.14 -1.27 0.94 0.00 0.03 0.00 0.00 46.19 45.74 2jtd s LEU 30 CO 0.04 0.27 1.70 -1.84 0.23 0.00 0.00 176.35 176.75 2jtd n GLU 31 N 2.70 0.00 0.00 1.70 -0.00 -1.26 -2.86 120.64 120.93 2jtd n GLU 31 Ca -0.17 0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2jtd n GLU 31 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 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 -1.50 0.79 -2.79 3.44 5.02 -1.26 -4.78 118.16 117.08 2jtd n LYS 32 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 2jtd n LYS 32 Cb 0.26 -1.25 0.03 0.00 -0.02 0.00 0.00 35.03 34.05 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtd n GLY 33 N 0.17 0.24 2.80 0.72 0.00 -1.13 -5.04 105.19 102.95 2jtd n GLY 33 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.11 0.09 -0.20 1.61 2.00 -1.16 -4.30 119.66 112.58 2jtd s GLN 34 Ca 0.14 0.41 -0.09 0.00 -2.00 0.00 0.00 55.36 53.82 2jtd s GLN 34 Cb -0.06 -0.67 -0.04 0.00 0.80 0.00 0.00 33.01 33.04 2jtd s GLN 34 CO 0.30 -0.44 0.10 0.08 -0.50 0.00 0.00 175.29 174.83 2jtd s VAL 35 N 2.30 5.05 -0.32 1.34 1.01 -0.70 -1.56 120.40 127.52 2jtd s VAL 35 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 2jtd s VAL 35 Cb -0.13 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.98 2jtd s VAL 35 CO -0.08 0.42 0.06 -0.60 0.00 0.00 0.00 175.10 174.91 2jtd s ARG 36 N 0.57 2.60 -0.15 2.72 3.00 0.24 -3.35 118.95 124.57 2jtd s ARG 36 Ca 0.05 -1.18 -0.02 0.00 -1.00 0.00 0.00 55.73 53.59 2jtd s ARG 36 Cb -0.12 -3.35 -0.02 0.00 0.00 0.00 0.00 34.95 31.46 2jtd s ARG 36 CO 0.01 -0.63 -0.08 0.12 0.00 0.00 0.00 175.30 174.72 2jtd s PHE 37 N 1.36 2.91 0.27 5.12 2.19 -0.82 -0.38 117.98 128.63 2jtd s PHE 37 Ca -0.02 -0.56 -0.11 0.00 0.33 0.00 0.00 56.93 56.57 2jtd s PHE 37 Cb -0.19 -1.93 -0.00 0.00 -1.31 0.00 0.00 43.02 39.59 2jtd s PHE 37 CO 0.01 -0.20 0.48 1.67 1.83 0.00 0.00 175.22 179.01 2jtd s TRP 38 N 0.53 0.52 0.11 10.12 1.48 -1.08 -0.06 118.94 130.55 2jtd s TRP 38 Ca -0.06 -0.86 -0.12 0.00 -1.06 0.00 0.00 56.10 54.00 2jtd s TRP 38 Cb -0.15 0.14 0.01 0.00 -1.16 0.00 0.00 33.47 32.31 2jtd s TRP 38 CO 0.03 -1.03 0.29 0.00 -4.06 0.00 0.00 176.95 172.18 2jtd s MET 39 N -3.76 0.97 0.01 3.25 0.23 0.36 -1.84 119.30 118.52 2jtd s MET 39 Ca 0.24 -0.86 0.08 0.00 -1.03 0.00 0.00 55.69 54.12 2jtd s MET 39 Cb -0.00 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2jtd s MET 39 CO 0.11 -0.35 -0.25 1.14 -2.03 0.00 0.00 175.02 173.65 2jtd s GLN 40 N -3.84 1.87 0.09 3.16 -2.07 -0.97 -2.70 119.66 115.19 2jtd s GLN 40 Ca 0.05 -0.95 0.04 0.00 -1.82 0.00 0.00 55.36 52.68 2jtd s GLN 40 Cb 0.03 -1.89 -0.03 0.00 -1.09 0.00 0.00 33.01 30.03 2jtd s GLN 40 CO -0.11 0.51 -0.10 0.00 -1.32 0.00 0.00 175.29 174.27 2jtd s ALA 41 N -0.66 1.06 -0.22 2.60 0.00 -0.79 -1.38 121.76 122.36 2jtd s ALA 41 Ca 0.10 -1.12 0.12 0.00 0.00 0.00 0.00 51.96 51.06 2jtd s ALA 41 Cb -0.09 0.01 -0.22 0.00 0.00 0.00 0.00 23.12 22.82 2jtd s ALA 41 CO 0.00 -0.01 -0.03 -0.85 0.00 0.00 0.00 175.76 174.87 2jtd n GLU 42 N 0.75 0.68 -3.75 0.00 0.28 -1.24 -4.81 120.64 112.55 2jtd n GLU 42 Ca -0.17 0.05 -0.36 0.00 -0.16 0.00 0.00 57.16 56.52 2jtd n GLU 42 Cb 0.57 -1.52 -0.07 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.50 3.89 0.00 3.44 1.02 -1.26 -4.95 119.74 119.38 2jtd s LYS 43 Ca -0.19 -0.11 0.15 0.00 0.02 0.00 0.00 55.97 55.84 2jtd s LYS 43 Cb 0.07 -3.32 0.11 0.00 -0.52 0.00 0.00 37.83 34.17 2jtd s LYS 43 CO 0.74 0.50 0.96 1.28 -0.92 0.00 0.00 175.35 177.92 2jtd n LEU 44 N 2.83 2.20 -4.90 3.17 7.99 -1.26 -4.76 117.00 122.27 2jtd n LEU 44 Ca -0.17 -0.99 -0.29 0.00 -0.01 0.00 0.00 56.01 54.56 2jtd n LEU 44 Cb 0.53 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.87 2jtd n LEU 44 CO 0.35 0.40 0.62 -0.94 -1.51 0.00 0.00 177.39 176.31 2jtd s SER 45 N -1.27 5.81 0.00 -1.43 1.04 -1.26 -4.92 113.70 111.67 2jtd s SER 45 Ca 0.17 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.62 2jtd s SER 45 Cb 0.12 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2jtd s SER 45 CO 0.20 -1.01 0.57 -0.24 0.98 0.00 0.00 173.24 173.74 2jtd n SER 46 N -2.68 1.69 0.14 7.02 2.88 -1.26 -3.15 113.62 118.26 2jtd n SER 46 Ca 0.05 -1.12 0.10 0.00 -1.33 0.00 0.00 58.87 56.57 2jtd n SER 46 Cb 0.56 -0.29 0.05 0.00 -0.75 0.00 0.00 64.21 63.79 2jtd n SER 46 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jtd h ASN 47 N 1.03 0.00 -3.60 -3.46 4.21 -1.91 -3.44 115.58 108.41 2jtd h ASN 47 Ca 0.00 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 56.81 2jtd h ASN 47 Cb 0.54 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 37.53 2jtd h ASN 47 CO 0.00 0.08 -0.46 0.00 -1.29 0.00 0.00 177.43 175.76 2jtd s ALA 48 N -3.25 3.46 -0.37 -0.83 0.00 -1.19 -0.91 121.76 118.67 2jtd s ALA 48 Ca 0.02 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 2jtd s ALA 48 Cb 0.08 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2jtd s ALA 48 CO 0.75 -1.24 0.25 0.15 0.00 0.00 0.00 175.76 175.67 2jtd s LYS 49 N 1.68 3.19 -0.35 0.00 3.01 0.50 -4.96 119.74 122.81 2jtd s LYS 49 Ca 0.05 -0.86 -0.13 0.00 -1.01 0.00 0.00 55.97 54.03 2jtd s LYS 49 Cb -0.18 -3.85 -0.01 0.00 -1.01 0.00 0.00 37.83 32.78 2jtd s LYS 49 CO 0.10 -0.60 0.24 0.08 0.51 0.00 0.00 175.35 175.68 2jtd s VAL 50 N 1.67 5.15 -0.51 3.17 1.01 -1.26 -1.72 120.40 127.92 2jtd s VAL 50 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 2jtd s VAL 50 Cb -0.18 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2jtd s VAL 50 CO 0.09 -0.06 0.80 -0.44 0.00 0.00 0.00 175.10 175.49 2jtd s SER 51 N 1.69 6.33 -1.24 3.32 0.01 -0.25 -4.96 113.70 118.59 2jtd s SER 51 Ca 0.05 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.70 2jtd s SER 51 Cb -0.18 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.72 2jtd s SER 51 CO 0.10 -1.03 1.72 -0.31 0.41 0.00 0.00 173.24 174.12 2jtd s TYR 52 N 3.38 2.65 -0.24 2.43 1.51 -1.26 -3.49 117.35 122.33 2jtd s TYR 52 Ca 0.26 -1.28 -0.06 0.00 -1.01 0.00 0.00 57.07 54.98 2jtd s TYR 52 Cb -0.14 -4.67 -0.02 0.00 -0.11 0.00 0.00 41.96 37.02 2jtd s TYR 52 CO 0.18 -1.77 0.04 0.42 -1.11 0.00 0.00 175.55 173.32 2jtd s ILE 53 N 5.09 4.10 -0.27 2.71 -1.09 -1.20 -2.91 121.20 127.64 2jtd s ILE 53 Ca 0.55 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 2jtd s ILE 53 Cb 0.03 -2.90 0.06 0.00 -1.58 0.00 0.00 42.46 38.07 2jtd s ILE 53 CO 0.06 0.37 -0.09 0.12 -1.23 0.00 0.00 174.94 174.16 2jtd s PHE 54 N 1.51 3.33 -1.35 3.97 5.36 0.10 -0.57 117.98 130.33 2jtd s PHE 54 Ca 0.06 -2.41 -0.05 0.00 -0.96 0.00 0.00 56.93 53.56 2jtd s PHE 54 Cb -0.15 -2.06 0.02 0.00 -0.34 0.00 0.00 43.02 40.50 2jtd s PHE 54 CO 0.02 -0.89 0.93 -1.71 -1.46 0.00 0.00 175.22 172.11 2jtd n ASN 55 N 4.41 -3.28 0.00 6.13 2.85 -0.16 -1.31 115.26 123.90 2jtd n ASN 55 Ca -0.12 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 53.64 2jtd n ASN 55 Cb 0.42 -4.43 0.00 0.00 1.24 0.00 0.00 39.78 37.01 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 -4.49 -0.34 -4.52 1.20 1.02 -1.26 -4.98 120.64 107.26 2jtd n GLU 56 Ca -0.15 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 56.75 2jtd n GLU 56 Cb 0.62 -3.57 -0.11 0.00 -0.02 0.00 0.00 31.44 28.36 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 -0.60 2.52 0.04 3.49 -0.14 -0.43 -5.05 119.74 119.56 2jtd s LYS 57 Ca 0.00 -0.73 -0.27 0.00 -1.36 0.00 0.00 55.97 53.61 2jtd s LYS 57 Cb 0.00 -2.47 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 2jtd s LYS 57 CO 0.00 0.60 0.83 -1.21 -0.76 0.00 0.00 175.35 174.81 2jtd s GLU 58 N -1.32 4.54 0.34 1.68 2.02 -1.26 0.01 118.70 124.70 2jtd s GLU 58 Ca 0.16 1.17 0.08 0.00 0.02 0.00 0.00 54.97 56.41 2jtd s GLU 58 Cb -0.11 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 2jtd s GLU 58 CO 0.06 0.19 0.14 0.96 0.02 0.00 0.00 175.26 176.63 2jtd s ILE 59 N 0.21 3.07 0.22 -1.63 -4.36 -1.14 -4.95 121.20 112.62 2jtd s ILE 59 Ca 0.42 -1.70 0.07 0.00 -0.26 0.00 0.00 60.65 59.18 2jtd s ILE 59 Cb -0.21 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 2jtd s ILE 59 CO 0.25 -0.19 -0.11 -0.36 0.24 0.00 0.00 174.94 174.76 2jtd s PHE 60 N -2.41 1.75 0.47 1.37 0.08 -1.26 -5.01 117.98 112.97 2jtd s PHE 60 Ca 0.37 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 2jtd s PHE 60 Cb -0.03 -0.88 -0.07 0.00 -0.57 0.00 0.00 43.02 41.47 2jtd s PHE 60 CO 0.23 0.30 1.28 -2.00 -0.10 0.00 0.00 175.22 174.93 2jtd s GLU 61 N -3.69 3.60 0.00 0.44 2.12 -1.26 -4.89 118.70 115.02 2jtd s GLU 61 Ca 0.25 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.64 2jtd s GLU 61 Cb 0.01 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 31.94 2jtd s GLU 61 CO 0.08 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 2jtd n GLY 62 N 0.61 4.05 0.26 -1.50 0.00 -0.91 -4.96 105.19 102.74 2jtd n GLY 62 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 2jtd n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtd h PRO 63 N 0.00 -0.63 0.00 1.61 0.13 -2.02 -3.31 132.00 127.78 2jtd h PRO 63 Ca 0.00 0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.11 2jtd h PRO 63 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 2jtd h PRO 63 CO 0.00 -0.42 -0.84 1.57 -0.23 0.00 0.00 178.00 178.08 2jtd h LYS 64 N -0.74 0.00 -6.37 0.86 2.10 -1.97 -3.46 116.57 106.99 2jtd h LYS 64 Ca -0.07 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.04 2jtd h LYS 64 Cb 0.50 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.81 2jtd h LYS 64 CO 0.11 0.15 0.32 0.71 -2.00 0.00 0.00 179.45 178.74 2jtd s TYR 65 N -3.16 3.67 -0.05 0.07 2.02 -1.25 -4.27 117.35 114.38 2jtd s TYR 65 Ca 0.01 1.64 -0.01 0.00 -0.37 0.00 0.00 57.07 58.34 2jtd s TYR 65 Cb 0.08 -3.06 0.03 0.00 -0.40 0.00 0.00 41.96 38.61 2jtd s TYR 65 CO 0.77 0.04 0.02 0.15 -1.57 0.00 0.00 175.55 174.96 2jtd s LYS 66 N 0.82 0.29 -0.24 -0.62 -0.14 -1.26 -2.15 119.74 116.44 2jtd s LYS 66 Ca 0.49 0.19 -0.03 0.00 -1.36 0.00 0.00 55.97 55.26 2jtd s LYS 66 Cb -0.21 -0.68 0.13 0.00 -1.68 0.00 0.00 37.83 35.40 2jtd s LYS 66 CO 0.27 -0.26 0.40 0.00 -0.76 0.00 0.00 175.35 175.00 2jtd s MET 67 N 1.77 0.37 -0.30 1.68 0.23 -1.26 -3.10 119.30 118.69 2jtd s MET 67 Ca 0.01 0.63 -0.07 0.00 -1.03 0.00 0.00 55.69 55.22 2jtd s MET 67 Cb -0.13 -0.30 0.01 0.00 -1.53 0.00 0.00 34.83 32.88 2jtd s MET 67 CO -0.03 -0.60 0.09 -1.01 -2.03 0.00 0.00 175.02 171.44 2jtd s HIS 68 N 2.58 3.15 -0.89 3.16 3.76 -1.25 -4.91 115.29 120.90 2jtd s HIS 68 Ca 0.12 -0.88 -0.24 0.00 -0.15 0.00 0.00 55.06 53.91 2jtd s HIS 68 Cb -0.15 -2.27 0.06 0.00 1.11 0.00 0.00 32.58 31.32 2jtd s HIS 68 CO -0.16 -0.55 1.31 -1.50 -0.85 0.00 0.00 174.74 173.00 2jtd s ILE 69 N 1.53 4.01 -0.30 0.60 1.10 -1.26 -4.19 121.20 122.68 2jtd s ILE 69 Ca 0.03 -0.50 -0.15 0.00 -0.51 0.00 0.00 60.65 59.52 2jtd s ILE 69 Cb -0.17 -4.95 -0.03 0.00 0.15 0.00 0.00 42.46 37.47 2jtd s ILE 69 CO 0.03 -1.81 0.38 -0.62 -2.11 0.00 0.00 174.94 170.81 2jtd s ASP 70 N 4.33 6.23 -0.04 4.50 2.15 -1.26 -4.93 116.67 127.65 2jtd s ASP 70 Ca 0.39 0.08 0.18 0.00 0.43 0.00 0.00 52.55 53.63 2jtd s ASP 70 Cb -0.04 -2.21 0.58 0.00 -0.30 0.00 0.00 42.92 40.94 2jtd s ASP 70 CO -0.01 -0.26 1.48 0.54 -0.17 0.00 0.00 175.17 176.74 2jtd n ARG 71 N 5.39 2.79 -0.11 4.34 1.74 -1.26 -3.51 116.66 126.04 2jtd n ARG 71 Ca -0.08 -2.32 -0.22 0.00 -0.77 0.00 0.00 57.85 54.46 2jtd n ARG 71 Cb 0.50 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 2jtd n ARG 71 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtd n ASN 72 N 1.17 1.99 -0.08 0.55 3.02 -1.26 -4.76 115.26 115.89 2jtd n ASN 72 Ca 0.21 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.70 2jtd n ASN 72 Cb 0.62 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 -3.61 0.88 0.00 3.41 -2.24 -1.26 -5.03 114.28 106.42 2jtd n THR 73 Ca -0.45 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2jtd n THR 73 Cb 0.95 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 2.49 1.05 3.31 3.38 0.00 -1.23 -4.92 105.19 109.27 2jtd n GLY 74 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 4.36 -0.09 -0.61 -1.09 -1.26 -1.89 121.20 118.62 2jtd s ILE 75 Ca 0.00 -1.20 -0.10 0.00 -2.23 0.00 0.00 60.65 57.12 2jtd s ILE 75 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2jtd s ILE 75 CO 0.00 -0.41 0.25 -0.63 -1.23 0.00 0.00 174.94 172.92 2jtd s ILE 76 N 1.48 5.32 0.36 2.92 1.01 -1.10 -4.66 121.20 126.52 2jtd s ILE 76 Ca 0.02 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.18 2jtd s ILE 76 Cb -0.22 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 2jtd s ILE 76 CO 0.04 0.58 0.04 -1.83 0.00 0.00 0.00 174.94 173.77 2jtd s GLU 77 N -0.85 1.76 -0.30 2.79 4.04 -1.26 -0.48 118.70 124.40 2jtd s GLU 77 Ca 0.18 -1.99 -0.09 0.00 0.04 0.00 0.00 54.97 53.11 2jtd s GLU 77 Cb -0.14 -1.11 0.14 0.00 0.02 0.00 0.00 34.13 33.04 2jtd s GLU 77 CO 0.07 -0.15 0.64 1.41 -1.84 0.00 0.00 175.26 175.38 2jtd s MET 78 N -3.83 0.57 -0.31 -4.83 1.75 0.91 -3.83 119.30 109.73 2jtd s MET 78 Ca 0.35 1.39 -0.05 0.00 -1.25 0.00 0.00 55.69 56.13 2jtd s MET 78 Cb 0.09 0.82 0.03 0.00 2.84 0.00 0.00 34.83 38.61 2jtd s MET 78 CO 0.16 -0.26 0.06 0.12 -0.65 0.00 0.00 175.02 174.45 2jtd s PHE 79 N 2.89 3.20 -0.04 4.11 5.36 -1.18 -1.94 117.98 130.38 2jtd s PHE 79 Ca -0.02 -1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 54.55 2jtd s PHE 79 Cb -0.12 -2.22 0.03 0.00 -0.34 0.00 0.00 43.02 40.37 2jtd s PHE 79 CO -0.19 -0.70 0.08 -1.64 -1.46 0.00 0.00 175.22 171.31 2jtd s MET 80 N 1.40 0.03 -0.13 10.12 -1.94 -1.21 -4.07 119.30 123.49 2jtd s MET 80 Ca -0.01 0.25 -0.07 0.00 -1.71 0.00 0.00 55.69 54.15 2jtd s MET 80 Cb -0.19 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.44 2jtd s MET 80 CO 0.01 -0.15 -0.11 1.05 -0.01 0.00 0.00 175.02 175.81 2jtd h GLU 81 N 7.13 0.00 0.00 2.03 4.11 -1.81 -1.87 114.58 124.16 2jtd h GLU 81 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2jtd h GLU 81 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jtd h GLU 81 CO 0.46 0.04 0.00 0.36 0.07 0.00 0.00 179.01 179.93 2jtd n LYS 82 N -4.65 0.00 0.00 1.06 -0.00 -1.26 -3.85 118.16 109.45 2jtd n LYS 82 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2jtd n LYS 82 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 2jtd n LYS 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jtd n LEU 83 N 0.00 0.00 -3.50 -5.58 7.94 -1.26 -5.06 117.00 109.54 2jtd n LEU 83 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2jtd n LEU 83 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2jtd n LEU 83 CO 0.00 -0.38 0.51 -1.58 -1.11 0.00 0.00 177.39 174.83 2jtd s GLN 84 N -0.76 1.02 0.60 1.96 0.74 -1.26 -5.03 119.66 116.93 2jtd s GLN 84 Ca 0.00 -0.02 0.29 0.00 0.05 0.00 0.00 55.36 55.68 2jtd s GLN 84 Cb 0.00 0.48 1.58 0.00 1.10 0.00 0.00 33.01 36.17 2jtd s GLN 84 CO 0.00 -0.38 2.00 0.38 -0.55 0.00 0.00 175.29 176.74 2jtd h ASP 85 N 2.54 0.00 1.01 6.67 3.04 -1.92 0.59 116.42 128.34 2jtd h ASP 85 Ca -0.27 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.39 2jtd h ASP 85 Cb 1.20 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.47 2jtd h ASP 85 CO 0.37 0.00 -0.61 1.05 -2.04 0.00 0.00 179.24 178.00 2jtd h GLU 86 N 0.00 0.00 0.00 4.15 4.11 -1.96 -3.30 114.58 117.59 2jtd h GLU 86 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.27 2jtd h GLU 86 Cb 0.81 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 2jtd h GLU 86 CO -0.00 0.61 -2.27 -3.47 0.07 0.00 0.00 179.01 173.95 2jtd n ASP 87 N -3.46 0.05 -4.78 3.06 -0.08 0.49 -4.91 116.55 106.92 2jtd n ASP 87 Ca 0.00 0.02 -0.30 0.00 -1.51 0.00 0.00 54.79 53.00 2jtd n ASP 87 Cb 0.70 1.13 0.09 0.00 2.34 0.00 0.00 41.12 45.38 2jtd n ASP 87 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jtd s GLU 88 N -2.70 2.23 0.00 -0.67 8.01 0.18 -4.95 118.70 120.80 2jtd s GLU 88 Ca -0.09 0.90 0.00 0.00 0.01 0.00 0.00 54.97 55.79 2jtd s GLU 88 Cb 0.08 -1.91 0.00 0.00 -4.31 0.00 0.00 34.13 27.98 2jtd s GLU 88 CO 0.84 -1.59 0.00 0.41 0.01 0.00 0.00 175.26 174.94 2jtd n GLY 89 N -1.66 -0.61 3.50 -1.39 0.00 0.07 -4.83 105.19 100.27 2jtd n GLY 89 Ca 0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.26 4.28 -0.26 2.61 2.01 -1.26 -0.65 115.64 119.11 2jtd s THR 90 Ca 0.00 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 2jtd s THR 90 Cb 0.00 -4.64 0.00 0.00 0.01 0.00 0.00 72.50 67.87 2jtd s THR 90 CO 0.00 -1.33 0.89 -0.31 -0.69 0.00 0.00 174.62 173.18 2jtd s TYR 91 N 4.21 3.27 -0.27 4.92 1.51 0.29 -0.99 117.35 130.29 2jtd s TYR 91 Ca 0.28 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.47 2jtd s TYR 91 Cb -0.14 -3.21 0.08 0.00 -0.11 0.00 0.00 41.96 38.59 2jtd s TYR 91 CO 0.16 -0.50 0.03 0.99 -1.11 0.00 0.00 175.55 175.12 2jtd s THR 92 N 3.04 1.25 -0.31 -0.71 2.01 0.26 -0.27 115.64 120.91 2jtd s THR 92 Ca 0.37 -1.35 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2jtd s THR 92 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.60 2jtd s THR 92 CO 0.09 -0.40 0.11 -0.36 -0.69 0.00 0.00 174.62 173.38 2jtd s PHE 93 N 1.47 3.16 -0.26 4.92 0.40 -0.82 -3.21 117.98 123.66 2jtd s PHE 93 Ca 0.03 -0.83 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 2jtd s PHE 93 Cb -0.18 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.03 2jtd s PHE 93 CO -0.14 -0.54 0.08 -1.14 0.70 0.00 0.00 175.22 174.18 2jtd s GLN 94 N 1.54 3.56 -0.24 0.44 0.74 -1.23 -1.72 119.66 122.76 2jtd s GLN 94 Ca 0.03 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.92 2jtd s GLN 94 Cb -0.17 -3.35 0.05 0.00 1.10 0.00 0.00 33.01 30.64 2jtd s GLN 94 CO 0.04 -0.24 -0.12 0.42 -0.55 0.00 0.00 175.29 174.84 2jtd s ILE 95 N 1.60 2.09 -0.32 -2.34 1.09 0.49 -1.09 121.20 122.72 2jtd s ILE 95 Ca 0.06 -1.45 -0.11 0.00 -1.10 0.00 0.00 60.65 58.04 2jtd s ILE 95 Cb -0.15 -2.15 -0.02 0.00 -1.06 0.00 0.00 42.46 39.08 2jtd s ILE 95 CO 0.04 0.09 0.20 -1.58 -0.10 0.00 0.00 174.94 173.58 2jtd s GLN 96 N 1.17 3.49 -0.76 2.79 0.74 -0.70 -0.17 119.66 126.22 2jtd s GLN 96 Ca -0.06 -0.63 -0.05 0.00 0.05 0.00 0.00 55.36 54.67 2jtd s GLN 96 Cb -0.18 -3.69 0.19 0.00 1.10 0.00 0.00 33.01 30.43 2jtd s GLN 96 CO -0.07 -0.40 0.63 0.34 -0.55 0.00 0.00 175.29 175.25 2jtd s ASP 97 N 1.68 5.86 0.00 6.67 -1.08 -0.12 -0.37 116.67 129.32 2jtd s ASP 97 Ca 0.06 -3.07 0.00 0.00 -0.52 0.00 0.00 52.55 49.01 2jtd s ASP 97 Cb -0.17 -1.97 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 2jtd s ASP 97 CO 0.09 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 176.03 2jtd n GLY 98 N 3.26 1.49 1.39 2.66 0.00 -0.09 -3.68 105.19 110.22 2jtd n GLY 98 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jtd n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtd n LYS 99 N 0.00 0.00 -1.98 1.61 5.02 -1.26 -5.03 118.16 116.52 2jtd n LYS 99 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2jtd n LYS 99 Cb 0.00 -0.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.88 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 -2.00 3.44 -0.22 7.82 0.00 -1.24 -5.00 121.76 124.56 2jtd s ALA 100 Ca 0.00 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2jtd s ALA 100 Cb 0.00 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2jtd s ALA 100 CO 0.00 -0.85 -0.14 0.99 0.00 0.00 0.00 175.76 175.75 2jtd s THR 101 N -1.17 2.06 0.36 0.00 2.01 -1.26 -0.95 115.64 116.70 2jtd s THR 101 Ca 0.53 -1.29 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2jtd s THR 101 Cb -0.42 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 2jtd s THR 101 CO 0.55 0.21 0.53 -0.83 -0.69 0.00 0.00 174.62 174.39 2jtd s GLY 102 N 1.21 1.56 -0.17 4.40 0.00 0.76 -4.92 107.32 110.16 2jtd s GLY 102 Ca -0.03 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.09 2jtd s GLY 102 CO -0.08 -1.22 0.76 -2.38 0.00 0.00 0.00 173.10 170.18 2jtd s HIS 103 N -2.28 -0.67 -0.08 1.90 -3.43 -1.26 -0.38 115.29 109.10 2jtd s HIS 103 Ca 0.45 1.42 -0.01 0.00 -0.80 0.00 0.00 55.06 56.13 2jtd s HIS 103 Cb -0.10 0.35 0.03 0.00 -1.43 0.00 0.00 32.58 31.43 2jtd s HIS 103 CO 0.33 -0.45 -0.02 0.45 -2.00 0.00 0.00 174.74 173.04 2jtd s SER 104 N -0.39 1.60 -0.27 7.38 0.15 -0.70 -4.90 113.70 116.57 2jtd s SER 104 Ca -0.04 -0.14 -0.07 0.00 0.70 0.00 0.00 55.95 56.40 2jtd s SER 104 Cb -0.03 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 2jtd s SER 104 CO 0.04 -0.15 0.07 -0.89 1.20 0.00 0.00 173.24 173.51 2jtd s THR 105 N 1.73 4.16 -0.24 6.45 2.01 -1.26 -1.94 115.64 126.55 2jtd s THR 105 Ca 0.02 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2jtd s THR 105 Cb -0.13 -3.01 0.07 0.00 0.01 0.00 0.00 72.50 69.44 2jtd s THR 105 CO -0.05 0.25 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.90 2jtd s LEU 106 N 1.57 2.21 -0.37 4.42 1.98 0.62 -5.00 118.68 124.12 2jtd s LEU 106 Ca 0.05 -1.17 -0.17 0.00 -2.89 0.00 0.00 54.13 49.95 2jtd s LEU 106 Cb -0.16 -0.98 0.00 0.00 0.66 0.00 0.00 46.19 45.71 2jtd s LEU 106 CO 0.03 -0.29 0.43 0.54 -1.89 0.00 0.00 176.35 175.17 2jtd s VAL 107 N 1.54 5.10 -0.39 1.68 0.11 -1.26 -0.55 120.40 126.63 2jtd s VAL 107 Ca -0.02 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2jtd s VAL 107 Cb -0.18 -3.93 0.09 0.00 -1.53 0.00 0.00 36.38 30.83 2jtd s VAL 107 CO -0.09 -0.23 0.18 -0.76 -3.33 0.00 0.00 175.10 170.87 2jtd s LEU 108 N 2.17 5.00 -0.12 2.54 1.43 0.18 -4.39 118.68 125.49 2jtd s LEU 108 Ca 0.14 -1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 51.41 2jtd s LEU 108 Cb -0.16 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.26 2jtd s LEU 108 CO 0.13 -0.50 0.27 -0.63 0.23 0.00 0.00 176.35 175.85 2jtd s ILE 109 N 1.23 -0.18 0.00 -0.59 1.01 -1.26 -0.75 121.20 120.66 2jtd s ILE 109 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2jtd s ILE 109 Cb -0.22 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2jtd s ILE 109 CO -0.02 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2jtd n GLY 110 N 4.63 2.35 0.23 6.18 0.00 -1.26 0.22 105.19 117.54 2jtd n GLY 110 Ca -0.18 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.45 1.61 3.58 -2.01 -3.22 116.42 115.93 2jtd h ASP 111 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jtd h ASP 111 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2jtd h ASP 111 CO 0.00 0.10 0.11 0.58 -2.88 0.00 0.00 179.24 177.15 2jtd h VAL 112 N 0.00 1.23 0.00 2.25 2.07 -0.61 -3.19 116.25 118.01 2jtd h VAL 112 Ca -0.00 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 2jtd h VAL 112 Cb 0.84 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2jtd h VAL 112 CO 0.01 0.29 -0.56 0.10 0.02 0.00 0.00 177.57 177.43 2jtd h TYR 113 N 0.60 0.00 0.00 1.57 -0.00 -1.47 -2.97 116.97 114.71 2jtd h TYR 113 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.87 2jtd h TYR 113 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.05 2jtd h TYR 113 CO 0.02 0.56 0.00 0.36 -0.00 0.00 0.00 178.16 179.10 2jtd n LYS 114 N -3.68 0.17 -0.14 0.10 -0.00 -1.20 -1.62 118.16 111.79 2jtd n LYS 114 Ca -0.01 0.45 -0.11 0.00 -0.00 0.00 0.00 58.31 58.64 2jtd n LYS 114 Cb 0.61 -1.86 -0.01 0.00 -0.00 0.00 0.00 35.03 33.76 2jtd n LYS 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2jtd h LYS 115 N 0.00 0.78 -0.66 -1.58 3.64 -1.63 -2.48 116.57 114.63 2jtd h LYS 115 Ca 0.00 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2jtd h LYS 115 Cb 0.30 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2jtd h LYS 115 CO 0.00 0.91 0.30 -0.07 -2.27 0.00 0.00 179.45 178.32 2jtd h LEU 116 N 0.60 0.88 -0.92 5.20 -0.00 -1.48 -1.81 115.31 117.78 2jtd h LEU 116 Ca 0.10 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2jtd h LEU 116 Cb 0.61 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2jtd h LEU 116 CO 0.04 0.79 0.61 1.56 -0.00 0.00 0.00 178.44 181.44 2jtd h GLN 117 N 0.92 1.22 -0.21 1.13 7.50 -1.51 0.25 115.11 124.41 2jtd h GLN 117 Ca 0.23 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.23 2jtd h GLN 117 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 2jtd h GLN 117 CO -0.02 0.80 -0.17 0.87 -1.50 0.00 0.00 178.83 178.81 2jtd h LYS 118 N 1.25 0.35 0.00 1.46 1.57 -0.91 -2.02 116.57 118.28 2jtd h LYS 118 Ca 0.34 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2jtd h LYS 118 Cb -0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2jtd h LYS 118 CO -0.07 0.53 -0.56 0.39 -0.57 0.00 0.00 179.45 179.16 2jtd n GLU 119 N -4.20 0.06 -0.07 3.15 1.02 -0.75 -4.23 120.64 115.62 2jtd n GLU 119 Ca -0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 2jtd n GLU 119 Cb 0.33 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtd h ALA 120 N 2.89 0.05 -3.17 0.62 0.00 -0.46 -3.50 119.26 115.70 2jtd h ALA 120 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jtd h ALA 120 Cb 0.55 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jtd h ALA 120 CO 0.00 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.90 2jtd n GLU 121 N -4.63 0.98 -0.69 0.00 1.02 -0.81 -5.01 120.64 111.51 2jtd n GLU 121 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2jtd n GLU 121 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 2jtd n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65