#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4trx s VAL 2 N 0.00 3.23 -0.02 2.03 1.01 -1.25 -3.53 120.40 121.88 4trx s VAL 2 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 4trx s VAL 2 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.87 4trx s VAL 2 CO 0.00 0.04 0.15 -0.75 0.00 0.00 0.00 175.10 174.53 4trx s LYS 3 N 1.68 0.40 0.13 2.72 2.20 -0.93 -5.00 119.74 120.93 4trx s LYS 3 Ca 0.67 -0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 56.00 4trx s LYS 3 Cb -0.37 0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 36.06 4trx s LYS 3 CO 0.30 -0.09 0.39 -1.14 -0.36 0.00 0.00 175.35 174.45 4trx s GLN 4 N -0.94 3.66 0.42 4.03 0.74 -1.26 -1.23 119.66 125.07 4trx s GLN 4 Ca -0.10 0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.32 4trx s GLN 4 Cb -0.06 -2.88 0.08 0.00 1.10 0.00 0.00 33.01 31.25 4trx s GLN 4 CO 0.01 0.49 0.57 -0.89 -0.55 0.00 0.00 175.29 174.92 4trx n ILE 5 N 0.32 0.00 0.00 -2.34 2.08 -1.08 -4.92 119.36 113.42 4trx n ILE 5 Ca -0.04 -0.97 0.00 0.00 0.56 0.00 0.00 62.75 62.30 4trx n ILE 5 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.39 4trx n ILE 5 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 4trx n GLU 6 N -2.03 0.00 -2.06 0.38 1.02 -1.26 -4.85 120.64 111.84 4trx n GLU 6 Ca 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 4trx n GLU 6 Cb 0.35 -0.39 -0.00 0.00 -0.02 0.00 0.00 31.44 31.38 4trx n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 4trx n SER 7 N -1.99 -0.45 -0.08 1.62 3.41 -1.26 -4.47 113.62 110.39 4trx n SER 7 Ca 0.00 -1.49 -0.14 0.00 -0.26 0.00 0.00 58.87 56.98 4trx n SER 7 Cb 0.08 0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 4trx n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 4trx h LYS 8 N 0.00 0.86 -0.89 4.33 3.64 -1.94 -2.30 116.57 120.28 4trx h LYS 8 Ca -0.08 -0.54 0.19 0.00 -1.27 0.00 0.00 60.65 58.95 4trx h LYS 8 Cb 0.33 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 4trx h LYS 8 CO 0.11 1.17 0.58 1.15 -2.27 0.00 0.00 179.45 180.19 4trx h THR 9 N 0.67 0.72 0.00 1.00 2.02 -2.01 -1.82 112.91 113.48 4trx h THR 9 Ca 0.02 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 4trx h THR 9 Cb 1.13 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 4trx h THR 9 CO 0.12 0.09 -0.00 0.00 0.37 0.00 0.00 175.52 176.09 4trx h ALA 10 N 1.62 -0.00 -0.81 6.16 0.00 -1.93 -3.19 119.26 121.10 4trx h ALA 10 Ca 0.46 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 55.15 4trx h ALA 10 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 4trx h ALA 10 CO -0.19 -0.04 0.96 0.35 0.00 0.00 0.00 179.25 180.33 4trx h PHE 11 N -0.93 0.00 0.07 0.00 3.57 -0.77 0.19 116.94 119.07 4trx h PHE 11 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 4trx h PHE 11 Cb 0.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 4trx h PHE 11 CO 0.25 0.00 -0.03 1.96 -2.23 0.00 0.00 178.31 178.26 4trx h GLN 12 N 0.00 -0.09 -0.10 1.11 1.08 -1.41 -3.17 115.11 112.52 4trx h GLN 12 Ca 0.39 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.62 4trx h GLN 12 Cb 2.29 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 29.74 4trx h GLN 12 CO -0.00 -0.06 0.24 1.05 -0.95 0.00 0.00 178.83 179.10 4trx h GLU 13 N -0.39 0.00 -0.13 1.46 4.11 -1.27 0.21 114.58 118.58 4trx h GLU 13 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 4trx h GLU 13 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 4trx h GLU 13 CO 0.02 0.00 -0.49 0.00 0.07 0.00 0.00 179.01 178.60 4trx h ALA 14 N 1.63 0.93 0.00 1.06 0.00 -1.09 0.05 119.26 121.82 4trx h ALA 14 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 4trx h ALA 14 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 4trx h ALA 14 CO -0.00 0.66 -0.11 1.28 0.00 0.00 0.00 179.25 181.08 4trx n LEU 15 N -3.97 0.49 0.01 0.00 4.77 0.71 -2.38 117.00 116.64 4trx n LEU 15 Ca -0.02 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 4trx n LEU 15 Cb 0.55 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 4trx n LEU 15 CO 0.44 -0.08 -0.52 -0.67 -1.33 0.00 0.00 177.39 175.23 4trx n ASP 16 N -1.92 0.40 0.01 -1.43 -0.08 -0.90 -4.06 116.55 108.57 4trx n ASP 16 Ca 0.06 0.16 0.11 0.00 -1.51 0.00 0.00 54.79 53.61 4trx n ASP 16 Cb 0.39 1.07 0.07 0.00 2.34 0.00 0.00 41.12 44.99 4trx n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4trx n ALA 17 N -2.34 3.86 0.93 -1.67 0.00 -0.05 -3.85 120.51 117.39 4trx n ALA 17 Ca -0.08 -0.44 0.13 0.00 0.00 0.00 0.00 53.44 53.04 4trx n ALA 17 Cb 0.71 -0.97 0.39 0.00 0.00 0.00 0.00 19.45 19.58 4trx n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4trx n ALA 18 N -1.60 2.94 -0.28 0.00 0.00 -1.00 -5.01 120.51 115.56 4trx n ALA 18 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 4trx n ALA 18 Cb 0.37 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.54 4trx n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4trx n GLY 19 N 1.47 2.28 0.00 0.00 0.00 -1.25 -3.75 105.19 103.93 4trx n GLY 19 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 4trx n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 4trx n ASP 20 N 8.12 4.22 -4.35 1.61 2.03 -1.26 -4.44 116.55 122.49 4trx n ASP 20 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 4trx n ASP 20 Cb 0.00 0.81 0.02 0.00 -0.72 0.00 0.00 41.12 41.23 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 4trx n LYS 21 N -1.30 0.23 -1.50 -0.67 5.02 -1.25 -4.36 118.16 114.33 4trx n LYS 21 Ca 0.00 0.09 -0.57 0.00 -2.02 0.00 0.00 58.31 55.81 4trx n LYS 21 Cb 0.03 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 4trx n LYS 21 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 4trx n LEU 22 N 1.70 0.02 -3.86 -0.35 4.77 -1.26 -4.75 117.00 113.26 4trx n LEU 22 Ca 0.10 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 4trx n LEU 22 Cb 0.46 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 4trx n LEU 22 CO 0.53 -1.96 -0.26 -0.69 -1.33 0.00 0.00 177.39 173.68 4trx s VAL 23 N -0.10 1.88 -0.26 4.08 1.01 -0.86 -2.19 120.40 123.96 4trx s VAL 23 Ca 0.86 -2.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 4trx s VAL 23 Cb -1.18 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 4trx s VAL 23 CO 0.56 -0.76 0.26 -0.69 0.00 0.00 0.00 175.10 174.47 4trx s VAL 24 N 0.51 5.26 0.22 2.92 1.01 -1.03 -0.19 120.40 129.10 4trx s VAL 24 Ca 0.14 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 4trx s VAL 24 Cb -0.22 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 4trx s VAL 24 CO -0.06 0.23 0.44 -0.69 0.00 0.00 0.00 175.10 175.02 4trx s VAL 25 N 1.72 5.14 -0.52 2.92 1.01 0.64 -2.45 120.40 128.86 4trx s VAL 25 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.95 4trx s VAL 25 Cb -0.15 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.65 4trx s VAL 25 CO 0.09 -0.18 0.29 -0.62 0.00 0.00 0.00 175.10 174.68 4trx s ASP 26 N -3.03 4.16 -0.77 3.32 2.15 -0.66 -1.80 116.67 120.04 4trx s ASP 26 Ca 0.41 -3.03 -0.26 0.00 0.43 0.00 0.00 52.55 50.10 4trx s ASP 26 Cb -0.11 -1.46 0.01 0.00 -0.30 0.00 0.00 42.92 41.05 4trx s ASP 26 CO 0.28 -0.22 1.57 -0.36 -0.17 0.00 0.00 175.17 176.27 4trx s PHE 27 N -0.28 2.07 0.34 -5.34 0.08 -0.42 -2.31 117.98 112.12 4trx s PHE 27 Ca 0.18 0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.43 4trx s PHE 27 Cb -0.22 -4.41 -0.02 0.00 -0.57 0.00 0.00 43.02 37.81 4trx s PHE 27 CO -0.02 -2.09 0.36 -1.54 -0.10 0.00 0.00 175.22 171.82 4trx s SER 28 N 5.80 1.44 -0.08 1.36 1.04 -1.00 -1.01 113.70 121.24 4trx s SER 28 Ca 0.51 -1.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.23 4trx s SER 28 Cb -0.08 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 4trx s SER 28 CO 0.11 -1.16 0.08 0.00 0.98 0.00 0.00 173.24 173.25 4trx s ALA 29 N -3.26 3.62 -0.14 5.32 0.00 -1.26 -2.04 121.76 124.00 4trx s ALA 29 Ca 0.37 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 4trx s ALA 29 Cb 0.01 -1.72 -0.25 0.00 0.00 0.00 0.00 23.12 21.17 4trx s ALA 29 CO 0.25 0.63 0.27 -2.37 0.00 0.00 0.00 175.76 174.55 4trx n THR 30 N 1.82 1.74 -0.01 0.00 5.66 -1.26 -3.94 114.28 118.28 4trx n THR 30 Ca -0.18 -0.64 -0.10 0.00 -3.05 0.00 0.00 64.05 60.08 4trx n THR 30 Cb 0.54 -1.69 -0.04 0.00 -1.55 0.00 0.00 70.33 67.59 4trx n THR 30 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 4trx h TRP 31 N 0.06 0.08 -3.24 1.09 5.08 -2.00 -3.44 115.95 113.57 4trx h TRP 31 Ca -0.45 0.01 -0.51 0.00 1.08 0.00 0.00 58.89 59.02 4trx h TRP 31 Cb 2.01 -0.01 0.22 0.00 -3.00 0.00 0.00 29.16 28.38 4trx h TRP 31 CO 0.07 0.04 -0.61 0.00 -1.28 0.00 0.00 178.44 176.66 4trx n GLY 33 N 1.51 -0.58 0.43 0.00 0.00 -1.26 -4.05 105.19 101.23 4trx n GLY 33 Ca 0.06 -0.10 0.24 0.00 0.00 0.00 0.00 46.02 46.22 4trx n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4trx h PRO 34 N -0.37 0.00 -0.08 1.61 0.11 -1.97 0.29 132.00 131.60 4trx h PRO 34 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 4trx h PRO 34 Cb 0.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.41 4trx h PRO 34 CO 0.00 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 177.38 4trx h LYS 36 N -0.05 0.05 -0.26 0.00 3.64 -1.13 -3.19 116.57 115.63 4trx h LYS 36 Ca -0.03 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 4trx h LYS 36 Cb 1.06 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 4trx h LYS 36 CO 0.08 0.94 0.86 1.98 -2.27 0.00 0.00 179.45 181.05 4trx h MET 37 N 0.02 0.00 -1.21 1.90 4.05 -0.57 1.04 114.93 120.17 4trx h MET 37 Ca -0.02 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.11 4trx h MET 37 Cb 1.63 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 32.28 4trx h MET 37 CO 0.13 0.00 0.36 -0.89 0.23 0.00 0.00 176.91 176.74 4trx n ILE 38 N -2.85 2.36 -0.09 1.77 2.08 -1.20 -4.33 119.36 117.10 4trx n ILE 38 Ca 0.05 -1.23 -0.17 0.00 0.56 0.00 0.00 62.75 61.97 4trx n ILE 38 Cb 0.96 -0.98 -0.11 0.00 -0.75 0.00 0.00 39.64 38.75 4trx n ILE 38 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 4trx h LYS 39 N 0.89 0.00 0.00 0.38 1.57 0.88 -3.18 116.57 117.11 4trx h LYS 39 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 4trx h LYS 39 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 4trx h LYS 39 CO 0.63 0.91 0.01 -2.30 -0.57 0.00 0.00 179.45 178.12 4trx n PRO 40 N -4.53 0.00 -0.07 3.15 -0.02 -1.26 0.73 135.00 133.00 4trx n PRO 40 Ca -0.20 0.06 -0.14 0.00 -2.02 0.00 0.00 63.50 61.20 4trx n PRO 40 Cb 0.55 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 4trx n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 4trx n PHE 41 N -1.02 0.00 0.06 6.00 3.01 -1.25 -4.09 117.46 120.18 4trx n PHE 41 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 4trx n PHE 41 Cb 0.01 -0.53 -0.08 0.00 -0.01 0.00 0.00 39.48 38.87 4trx n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 4trx h PHE 42 N -0.72 0.00 0.00 1.38 3.57 -1.43 -3.26 116.94 116.48 4trx h PHE 42 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 4trx h PHE 42 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 4trx h PHE 42 CO -0.19 0.78 -0.35 1.58 -2.23 0.00 0.00 178.31 177.90 4trx n HIS 43 N -3.18 0.45 1.05 0.41 -0.00 0.22 -3.35 115.22 110.82 4trx n HIS 43 Ca -0.04 0.13 0.13 0.00 0.46 0.00 0.00 57.72 58.41 4trx n HIS 43 Cb 0.88 -0.62 0.50 0.00 -0.12 0.00 0.00 29.99 30.63 4trx n HIS 43 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 4trx n SER 44 N -1.93 0.21 0.00 0.26 7.64 -1.21 -3.23 113.62 115.36 4trx n SER 44 Ca 0.05 0.14 0.14 0.00 1.01 0.00 0.00 58.87 60.20 4trx n SER 44 Cb 0.40 -0.21 0.65 0.00 -1.01 0.00 0.00 64.21 64.04 4trx n SER 44 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 4trx n LEU 45 N -1.44 0.00 0.01 -3.43 4.77 -1.21 -3.49 117.00 112.20 4trx n LEU 45 Ca 0.07 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.64 4trx n LEU 45 Cb 0.33 -0.44 0.60 0.00 -2.33 0.00 0.00 43.42 41.59 4trx n LEU 45 CO 0.29 -0.01 1.17 -1.28 -1.33 0.00 0.00 177.39 176.23 4trx h SER 46 N 0.00 0.15 0.00 -1.43 0.87 -1.77 -2.10 113.55 109.28 4trx h SER 46 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 4trx h SER 46 Cb 0.42 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 4trx h SER 46 CO 0.00 0.09 -2.44 -0.62 -0.53 0.00 0.00 176.83 173.33 4trx n GLU 47 N -4.44 0.61 0.11 2.24 1.02 -1.23 -4.58 120.64 114.37 4trx n GLU 47 Ca 0.08 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.31 4trx n GLU 47 Cb 0.43 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 4trx n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4trx h LYS 48 N -0.25 -0.39 -4.67 3.49 1.63 -1.60 -3.32 116.57 111.46 4trx h LYS 48 Ca -0.59 0.03 -0.71 0.00 -0.85 0.00 0.00 60.65 58.52 4trx h LYS 48 Cb 1.80 0.09 -0.20 0.00 -0.60 0.00 0.00 32.23 33.32 4trx h LYS 48 CO -0.17 -0.26 0.46 0.71 -3.45 0.00 0.00 179.45 176.74 4trx s TYR 49 N -4.20 3.22 -1.53 1.91 2.02 -0.80 -4.81 117.35 113.17 4trx s TYR 49 Ca -0.07 -1.39 0.27 0.00 -0.37 0.00 0.00 57.07 55.51 4trx s TYR 49 Cb 0.02 -4.10 0.83 0.00 -0.40 0.00 0.00 41.96 38.31 4trx s TYR 49 CO 0.25 -1.33 1.62 -1.13 -1.57 0.00 0.00 175.55 173.39 4trx n SER 50 N 5.93 0.73 -1.33 2.29 3.41 -1.25 -3.54 113.62 119.86 4trx n SER 50 Ca 0.12 -0.61 0.09 0.00 -0.26 0.00 0.00 58.87 58.20 4trx n SER 50 Cb 0.47 0.08 0.30 0.00 -0.26 0.00 0.00 64.21 64.80 4trx n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4trx n ASN 51 N -0.95 3.89 -4.15 4.04 2.85 -1.26 -4.91 115.26 114.78 4trx n ASN 51 Ca 0.11 -2.26 -0.12 0.00 -0.11 0.00 0.00 54.58 52.20 4trx n ASN 51 Cb 0.33 -0.50 -0.10 0.00 1.24 0.00 0.00 39.78 40.75 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 4trx s VAL 52 N -1.60 0.69 -0.14 3.44 1.01 -1.23 -4.68 120.40 117.89 4trx s VAL 52 Ca 0.43 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 4trx s VAL 52 Cb 0.26 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 4trx s VAL 52 CO 0.24 -0.71 -0.05 -0.63 0.00 0.00 0.00 175.10 173.95 4trx s ILE 53 N -2.92 3.83 -0.06 2.22 1.09 -0.93 -4.06 121.20 120.38 4trx s ILE 53 Ca 0.06 -0.39 0.06 0.00 -1.10 0.00 0.00 60.65 59.28 4trx s ILE 53 Cb 0.00 -2.66 -0.01 0.00 -1.06 0.00 0.00 42.46 38.73 4trx s ILE 53 CO -0.03 0.52 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.73 4trx s PHE 54 N 0.14 2.48 0.24 3.97 0.08 -1.23 -2.46 117.98 121.19 4trx s PHE 54 Ca -0.02 -0.64 0.08 0.00 0.12 0.00 0.00 56.93 56.47 4trx s PHE 54 Cb -0.14 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 4trx s PHE 54 CO 0.03 -0.17 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.33 4trx s LEU 55 N -0.22 2.55 -0.16 -0.37 1.02 -1.03 -2.19 118.68 118.29 4trx s LEU 55 Ca -0.02 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.04 4trx s LEU 55 Cb -0.13 -0.76 0.05 0.00 0.02 0.00 0.00 46.19 45.37 4trx s LEU 55 CO 0.03 -0.16 0.06 -0.70 0.02 0.00 0.00 176.35 175.60 4trx s GLU 56 N -3.63 0.30 -0.13 1.70 -6.30 -0.37 -1.65 118.70 108.63 4trx s GLU 56 Ca 0.25 -0.14 -0.13 0.00 -2.50 0.00 0.00 54.97 52.45 4trx s GLU 56 Cb -0.01 -1.73 -0.05 0.00 0.00 0.00 0.00 34.13 32.34 4trx s GLU 56 CO 0.09 -0.60 0.29 0.08 0.02 0.00 0.00 175.26 175.15 4trx s VAL 57 N 2.03 5.28 -0.39 3.70 1.01 -0.98 -2.63 120.40 128.43 4trx s VAL 57 Ca 0.02 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 4trx s VAL 57 Cb -0.16 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.62 4trx s VAL 57 CO -0.08 0.46 0.53 -0.62 0.00 0.00 0.00 175.10 175.39 4trx s ASP 58 N -0.02 6.29 0.00 3.32 2.15 -1.26 -2.38 116.67 124.77 4trx s ASP 58 Ca 0.18 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.88 4trx s ASP 58 Cb -0.13 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 4trx s ASP 58 CO 0.06 -0.59 1.20 1.33 -0.17 0.00 0.00 175.17 177.00 4trx n VAL 59 N 5.55 1.20 0.00 1.11 0.24 -0.86 -2.16 118.33 123.40 4trx n VAL 59 Ca -0.05 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 4trx n VAL 59 Cb 0.48 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 4trx n VAL 59 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 4trx n ASP 60 N 1.31 0.21 -0.11 -1.34 2.03 -1.26 -4.69 116.55 112.70 4trx n ASP 60 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 4trx n ASP 60 Cb 0.36 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 4trx n ASP 60 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 4trx n ASP 61 N -2.90 0.85 -0.88 1.67 2.03 -1.21 -4.48 116.55 111.64 4trx n ASP 61 Ca 0.00 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.38 4trx n ASP 61 Cb 0.43 0.79 0.18 0.00 -0.72 0.00 0.00 41.12 41.80 4trx n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx h GLN 63 N 1.20 0.00 -0.50 0.00 4.20 -1.79 0.65 115.11 118.88 4trx h GLN 63 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 4trx h GLN 63 Cb 1.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 4trx h GLN 63 CO 0.16 0.00 -0.15 0.38 -0.67 0.00 0.00 178.83 178.54 4trx h ASP 64 N 0.00 1.00 -0.19 1.46 2.03 -1.94 -1.46 116.42 117.33 4trx h ASP 64 Ca 0.00 -0.37 -0.16 0.00 -0.73 0.00 0.00 57.03 55.76 4trx h ASP 64 Cb 0.40 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 4trx h ASP 64 CO 0.00 1.15 -0.53 0.58 -1.03 0.00 0.00 179.24 179.41 4trx h VAL 65 N 0.85 1.32 -0.43 4.15 2.07 -1.23 -2.91 116.25 120.05 4trx h VAL 65 Ca 0.12 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 65.90 4trx h VAL 65 Cb 0.72 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 4trx h VAL 65 CO 0.06 0.55 0.26 0.00 0.02 0.00 0.00 177.57 178.45 4trx h ALA 66 N 0.57 0.55 0.00 1.67 0.00 -1.46 0.11 119.26 120.70 4trx h ALA 66 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 4trx h ALA 66 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.81 4trx h ALA 66 CO 0.11 -0.06 0.00 1.03 0.00 0.00 0.00 179.25 180.33 4trx h SER 67 N 0.52 0.00 0.26 0.00 0.87 -1.26 -0.46 113.55 113.49 4trx h SER 67 Ca 0.17 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 4trx h SER 67 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 4trx h SER 67 CO -0.08 0.00 -0.81 -0.08 -0.53 0.00 0.00 176.83 175.33 4trx h GLU 68 N 0.00 0.43 -0.01 2.24 4.22 -0.58 -2.90 114.58 117.97 4trx h GLU 68 Ca 0.00 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.05 4trx h GLU 68 Cb 0.11 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 4trx h GLU 68 CO 0.00 1.03 -0.23 0.00 -2.18 0.00 0.00 179.01 177.64 4trx n GLU 70 N -0.46 -7.01 -2.99 0.00 2.13 -0.56 -4.98 120.64 106.76 4trx n GLU 70 Ca 0.13 0.83 -0.29 0.00 0.66 0.00 0.00 57.16 58.49 4trx n GLU 70 Cb 0.36 -5.85 -0.03 0.00 0.27 0.00 0.00 31.44 26.20 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 4trx s VAL 71 N -3.36 4.89 0.00 6.31 1.01 -1.16 -4.99 120.40 123.11 4trx s VAL 71 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.52 4trx s VAL 71 Cb -0.09 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.53 4trx s VAL 71 CO 0.73 -0.51 0.90 1.17 0.00 0.00 0.00 175.10 177.40 4trx n LYS 72 N -1.35 0.00 -3.63 2.72 4.81 -1.26 -4.87 118.16 114.58 4trx n LYS 72 Ca 0.01 -0.83 -0.11 0.00 -0.87 0.00 0.00 58.31 56.50 4trx n LYS 72 Cb 0.54 -0.42 -0.07 0.00 0.02 0.00 0.00 35.03 35.10 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 4trx s THR 74 N 0.22 1.91 0.49 0.00 -4.23 -1.26 -4.14 115.64 108.63 4trx s THR 74 Ca 0.01 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.46 4trx s THR 74 Cb -0.05 -1.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.85 4trx s THR 74 CO -0.03 -0.24 0.99 -2.16 -0.54 0.00 0.00 174.62 172.64 4trx s PRO 75 N -2.64 3.97 -0.15 3.99 0.04 -1.26 -4.94 135.00 134.01 4trx s PRO 75 Ca 0.15 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 4trx s PRO 75 Cb -0.07 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.38 4trx s PRO 75 CO 0.07 -0.26 0.00 0.99 0.04 0.00 0.00 177.00 177.84 4trx s THR 76 N -2.41 0.62 -0.04 1.26 2.01 -0.18 -2.58 115.64 114.32 4trx s THR 76 Ca 0.61 -0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 4trx s THR 76 Cb -0.11 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 4trx s THR 76 CO 0.25 0.04 0.56 -0.36 -0.69 0.00 0.00 174.62 174.41 4trx s PHE 77 N 1.84 3.63 0.10 4.92 0.08 -0.88 -1.30 117.98 126.36 4trx s PHE 77 Ca 0.02 1.10 0.08 0.00 0.12 0.00 0.00 56.93 58.25 4trx s PHE 77 Cb -0.15 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 4trx s PHE 77 CO -0.07 0.29 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.49 4trx s GLN 78 N 0.08 1.11 -0.19 0.44 -0.21 -0.74 -1.67 119.66 118.47 4trx s GLN 78 Ca 0.30 -1.16 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 4trx s GLN 78 Cb -0.17 -1.35 -0.00 0.00 1.00 0.00 0.00 33.01 32.49 4trx s GLN 78 CO 0.15 0.31 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.47 4trx s PHE 79 N -1.20 2.87 -0.03 0.91 0.40 0.16 -0.26 117.98 120.83 4trx s PHE 79 Ca 0.06 -1.09 0.07 0.00 -0.60 0.00 0.00 56.93 55.37 4trx s PHE 79 Cb -0.10 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 4trx s PHE 79 CO 0.04 -0.56 -0.25 -0.06 0.70 0.00 0.00 175.22 175.09 4trx s PHE 80 N 1.21 2.39 -0.07 0.36 0.08 0.74 -1.59 117.98 121.09 4trx s PHE 80 Ca 0.02 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 4trx s PHE 80 Cb -0.14 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 4trx s PHE 80 CO -0.04 -0.04 0.20 0.21 -0.10 0.00 0.00 175.22 175.44 4trx s LYS 81 N -0.55 0.22 -0.61 0.44 2.20 -0.31 -2.03 119.74 119.10 4trx s LYS 81 Ca 0.08 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 4trx s LYS 81 Cb -0.11 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 4trx s LYS 81 CO -0.00 -0.04 0.00 1.63 -0.36 0.00 0.00 175.35 176.58 4trx n LYS 82 N 3.06 -1.60 -1.39 4.03 5.02 -1.26 0.93 118.16 126.94 4trx n LYS 82 Ca -0.13 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 4trx n LYS 82 Cb 0.58 -4.36 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4trx n GLY 83 N 0.14 0.91 3.05 0.72 0.00 -1.26 -5.07 105.19 103.68 4trx n GLY 83 Ca -0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 4trx n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4trx s GLN 84 N -3.07 0.20 0.16 1.61 -0.21 0.26 -5.13 119.66 113.49 4trx s GLN 84 Ca 0.00 0.49 -0.31 0.00 0.02 0.00 0.00 55.36 55.56 4trx s GLN 84 Cb 0.00 -0.09 -0.09 0.00 1.00 0.00 0.00 33.01 33.83 4trx s GLN 84 CO 0.00 -0.15 1.42 0.21 -2.12 0.00 0.00 175.29 174.66 4trx s LYS 85 N 1.10 4.30 0.00 2.91 2.20 -1.26 -1.16 119.74 127.83 4trx s LYS 85 Ca -0.08 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 4trx s LYS 85 Cb -0.09 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 4trx s LYS 85 CO -0.07 -0.44 0.00 1.33 -0.36 0.00 0.00 175.35 175.81 4trx n VAL 86 N 3.52 0.00 -3.78 4.02 0.24 -0.62 -4.94 118.33 116.77 4trx n VAL 86 Ca 0.10 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 4trx n VAL 86 Cb 0.41 0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 4trx n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 4trx s GLY 87 N -1.45 -0.15 -0.26 7.63 0.00 -1.23 -5.01 107.32 106.85 4trx s GLY 87 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.03 4trx s GLY 87 CO 0.00 0.25 0.60 1.85 0.00 0.00 0.00 173.10 175.79 4trx s GLU 88 N -0.90 0.55 -0.16 2.90 -6.30 -1.26 0.36 118.70 113.88 4trx s GLU 88 Ca -0.10 1.26 -0.10 0.00 -2.50 0.00 0.00 54.97 53.53 4trx s GLU 88 Cb -0.05 0.51 0.05 0.00 0.00 0.00 0.00 34.13 34.64 4trx s GLU 88 CO 0.03 -0.19 0.40 -0.59 0.02 0.00 0.00 175.26 174.93 4trx s PHE 89 N 2.39 -0.55 0.38 5.30 -0.12 -0.67 -5.03 117.98 119.69 4trx s PHE 89 Ca -0.07 1.21 0.08 0.00 -0.05 0.00 0.00 56.93 58.10 4trx s PHE 89 Cb -0.10 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 4trx s PHE 89 CO -0.18 -0.30 0.24 -1.54 -0.05 0.00 0.00 175.22 173.39 4trx s SER 90 N 1.06 4.78 0.00 1.98 1.04 -1.26 -2.08 113.70 119.22 4trx s SER 90 Ca -0.07 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.54 4trx s SER 90 Cb -0.07 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.42 4trx s SER 90 CO -0.09 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.26 4trx n GLY 91 N -1.32 4.60 1.15 7.32 0.00 -1.06 -4.88 105.19 111.00 4trx n GLY 91 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 4trx n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4trx n ALA 92 N -1.85 2.28 -2.75 4.61 0.00 -1.26 -4.76 120.51 116.77 4trx n ALA 92 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 4trx n ALA 92 Cb 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 4trx n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 4trx s ASN 93 N 1.22 6.31 -0.11 0.00 3.04 -1.26 -4.98 114.94 119.16 4trx s ASN 93 Ca 0.00 0.36 -0.07 0.00 0.04 0.00 0.00 52.86 53.19 4trx s ASN 93 Cb 0.00 -2.11 -0.05 0.00 -1.54 0.00 0.00 41.25 37.55 4trx s ASN 93 CO 0.00 0.21 -0.17 2.29 -3.04 0.00 0.00 177.10 176.40 4trx n LYS 94 N 3.17 0.27 0.26 0.43 0.00 -1.26 -4.52 118.16 116.50 4trx n LYS 94 Ca -0.16 0.12 0.12 0.00 -0.00 0.00 0.00 58.31 58.38 4trx n LYS 94 Cb 0.53 -0.96 0.62 0.00 -0.00 0.00 0.00 35.03 35.21 4trx n LYS 94 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 4trx h GLU 95 N -0.47 0.00 -0.42 -1.58 5.08 -1.97 1.00 114.58 116.21 4trx h GLU 95 Ca -0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 4trx h GLU 95 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 4trx h GLU 95 CO -0.16 0.00 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.47 4trx h LYS 96 N 0.00 0.86 -0.39 2.33 3.64 -2.00 -3.21 116.57 117.80 4trx h LYS 96 Ca 0.00 -0.36 0.07 0.00 -1.27 0.00 0.00 60.65 59.09 4trx h LYS 96 Cb 0.60 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 4trx h LYS 96 CO 0.00 1.00 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.69 4trx h LEU 97 N 0.68 -1.39 -0.13 5.20 3.38 -1.05 -1.38 115.31 120.62 4trx h LEU 97 Ca 0.10 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.29 4trx h LEU 97 Cb 0.72 0.61 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 4trx h LEU 97 CO 0.05 -0.37 -0.08 1.21 0.09 0.00 0.00 178.44 179.35 4trx n GLU 98 N -5.42 -0.06 0.05 1.13 2.13 -1.21 0.21 120.64 117.48 4trx n GLU 98 Ca -0.01 0.82 0.13 0.00 0.66 0.00 0.00 57.16 58.76 4trx n GLU 98 Cb 0.35 -1.23 0.59 0.00 0.27 0.00 0.00 31.44 31.42 4trx n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 4trx h ALA 99 N -0.56 2.13 -0.56 4.31 0.00 -1.63 -0.29 119.26 122.66 4trx h ALA 99 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 4trx h ALA 99 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 4trx h ALA 99 CO -0.12 -0.22 -0.02 1.15 0.00 0.00 0.00 179.25 180.03 4trx h THR 100 N 0.18 1.26 -0.89 0.00 2.02 0.37 -2.26 112.91 113.59 4trx h THR 100 Ca 0.18 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 4trx h THR 100 Cb 0.48 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 4trx h THR 100 CO -0.03 0.41 0.55 0.40 0.37 0.00 0.00 175.52 177.22 4trx h ILE 101 N 0.90 1.24 0.00 3.11 1.08 0.20 0.26 117.51 124.30 4trx h ILE 101 Ca 0.16 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 4trx h ILE 101 Cb 0.56 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 4trx h ILE 101 CO 0.03 0.25 0.00 -3.20 -0.69 0.00 0.00 178.15 174.54 4trx n ASN 102 N -4.37 0.57 -0.04 1.72 2.85 -0.87 0.83 115.26 115.96 4trx n ASN 102 Ca 0.10 0.75 -0.14 0.00 -0.11 0.00 0.00 54.58 55.17 4trx n ASN 102 Cb 0.05 -0.83 -0.12 0.00 1.24 0.00 0.00 39.78 40.13 4trx n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 4trx h GLU 103 N 0.00 0.07 -0.16 1.20 4.22 -0.24 -3.34 114.58 116.32 4trx h GLU 103 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.36 4trx h GLU 103 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 4trx h GLU 103 CO 0.00 0.87 0.00 1.28 -2.18 0.00 0.00 179.01 178.98 4trx n LEU 104 N -4.61 2.83 0.00 1.64 4.77 -0.85 -5.14 117.00 115.63 4trx n LEU 104 Ca -0.10 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 4trx n LEU 104 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 4trx n LEU 104 CO 0.36 0.56 0.08 0.55 -1.33 0.00 0.00 177.39 177.60