#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4trx n VAL 2 N 0.00 3.07 -4.21 2.03 0.31 -1.26 -4.02 118.33 114.25 4trx n VAL 2 Ca 0.00 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.65 4trx n VAL 2 Cb 0.00 -1.49 -0.15 0.00 -0.91 0.00 0.00 33.84 31.29 4trx n VAL 2 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 4trx s LYS 3 N -2.46 0.62 -0.10 5.55 2.20 0.38 -4.97 119.74 120.96 4trx s LYS 3 Ca 0.66 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 4trx s LYS 3 Cb -0.47 -0.61 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 4trx s LYS 3 CO 0.54 0.08 0.29 -1.14 -0.36 0.00 0.00 175.35 174.75 4trx s GLN 4 N 0.17 3.95 0.58 4.03 0.74 -1.26 -0.32 119.66 127.55 4trx s GLN 4 Ca -0.02 0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.56 4trx s GLN 4 Cb -0.06 -3.31 0.06 0.00 1.10 0.00 0.00 33.01 30.81 4trx s GLN 4 CO -0.00 0.51 0.80 0.42 -0.55 0.00 0.00 175.29 176.47 4trx s ILE 5 N -0.37 2.48 0.00 -2.34 -1.09 -1.00 -4.93 121.20 113.95 4trx s ILE 5 Ca 0.18 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 4trx s ILE 5 Cb -0.14 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 4trx s ILE 5 CO 0.07 0.00 0.00 1.21 -1.23 0.00 0.00 174.94 174.99 4trx n GLU 6 N -2.37 0.04 -0.91 2.79 2.13 -1.26 -4.76 120.64 116.30 4trx n GLU 6 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 4trx n GLU 6 Cb 0.60 -0.56 0.00 0.00 0.27 0.00 0.00 31.44 31.75 4trx n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 4trx n SER 7 N -1.56 0.00 0.04 4.31 3.41 -1.26 -4.37 113.62 114.19 4trx n SER 7 Ca 0.00 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.66 4trx n SER 7 Cb 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.52 -0.90 4.33 3.64 -1.95 -1.75 116.57 120.46 4trx h LYS 8 Ca 0.00 -0.63 0.18 0.00 -1.27 0.00 0.00 60.65 58.93 4trx h LYS 8 Cb 0.00 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 4trx h LYS 8 CO 0.00 1.25 0.59 1.15 -2.27 0.00 0.00 179.45 180.17 4trx h THR 9 N 0.08 0.72 0.00 1.00 2.02 -2.01 -2.03 112.91 112.69 4trx h THR 9 Ca -0.13 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 4trx h THR 9 Cb 1.61 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 4trx h THR 9 CO 0.18 0.09 -0.02 0.00 0.37 0.00 0.00 175.52 176.14 4trx h ALA 10 N 1.61 0.00 -1.87 6.16 0.00 -1.96 -3.27 119.26 119.93 4trx h ALA 10 Ca 0.47 -0.44 0.55 0.00 0.00 0.00 0.00 54.91 55.49 4trx h ALA 10 Cb 1.02 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 4trx h ALA 10 CO -0.20 0.01 1.35 0.35 0.00 0.00 0.00 179.25 180.75 4trx h PHE 11 N -1.00 0.02 0.02 0.00 3.57 -0.62 1.88 116.94 120.81 4trx h PHE 11 Ca -0.00 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.24 4trx h PHE 11 Cb 0.86 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.61 4trx h PHE 11 CO 0.24 -0.01 -1.04 1.96 -2.23 0.00 0.00 178.31 177.23 4trx h GLN 12 N 0.00 0.55 -0.42 1.11 1.08 -1.49 -3.18 115.11 112.76 4trx h GLN 12 Ca 0.90 -0.62 -0.14 0.00 -1.45 0.00 0.00 58.65 57.34 4trx h GLN 12 Cb 3.58 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 31.19 4trx h GLN 12 CO -0.02 1.23 -0.28 0.93 -0.95 0.00 0.00 178.83 179.74 4trx h GLU 13 N 0.29 0.91 -0.51 1.46 5.08 0.28 -2.66 114.58 119.43 4trx h GLU 13 Ca -0.12 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 57.87 4trx h GLU 13 Cb 1.69 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.88 4trx h GLU 13 CO 0.19 1.07 0.26 0.00 -1.00 0.00 0.00 179.01 179.53 4trx h ALA 14 N 0.90 0.65 0.00 3.43 0.00 -1.24 0.28 119.26 123.28 4trx h ALA 14 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 4trx h ALA 14 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 4trx h ALA 14 CO 0.08 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.53 4trx n LEU 15 N -4.87 0.17 0.03 0.00 4.77 -1.17 -1.14 117.00 114.80 4trx n LEU 15 Ca 0.04 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 4trx n LEU 15 Cb 0.13 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 4trx n LEU 15 CO 0.29 -0.30 -0.41 -0.67 -1.33 0.00 0.00 177.39 174.97 4trx n ASP 16 N -1.69 0.48 -0.82 -1.43 -0.08 0.68 -3.99 116.55 109.70 4trx n ASP 16 Ca 0.04 0.19 0.09 0.00 -1.51 0.00 0.00 54.79 53.60 4trx n ASP 16 Cb 0.20 1.00 0.13 0.00 2.34 0.00 0.00 41.12 44.80 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 -2.29 2.41 -0.17 -1.67 0.00 0.44 -4.32 120.51 114.91 4trx n ALA 17 Ca -0.06 -0.82 0.04 0.00 0.00 0.00 0.00 53.44 52.60 4trx n ALA 17 Cb 0.66 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.72 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 1.06 3.36 -0.89 0.00 0.00 -0.29 -5.00 120.51 118.76 4trx n ALA 18 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.39 4trx n ALA 18 Cb 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.40 2.79 0.29 0.00 0.00 -1.26 -3.55 105.19 103.86 4trx n GLY 19 Ca 0.17 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.40 4trx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4trx n ASP 20 N 10.36 0.00 -4.53 1.61 8.00 -1.26 -4.91 116.55 125.81 4trx n ASP 20 Ca 0.00 -1.16 -0.27 0.00 0.71 0.00 0.00 54.79 54.07 4trx n ASP 20 Cb 0.00 -0.03 0.13 0.00 -0.02 0.00 0.00 41.12 41.20 4trx n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 4trx s LYS 21 N 0.00 1.40 0.25 -1.24 3.01 -1.23 -4.48 119.74 117.45 4trx s LYS 21 Ca 0.00 -0.50 -0.30 0.00 -1.01 0.00 0.00 55.97 54.16 4trx s LYS 21 Cb 0.00 -2.06 -0.14 0.00 -1.01 0.00 0.00 37.83 34.63 4trx s LYS 21 CO 0.00 -1.81 1.30 1.28 0.51 0.00 0.00 175.35 176.63 4trx n LEU 22 N -3.29 2.78 -3.82 3.17 7.99 -1.26 -4.72 117.00 117.86 4trx n LEU 22 Ca 0.13 1.16 -0.30 0.00 -0.01 0.00 0.00 56.01 56.99 4trx n LEU 22 Cb 0.60 -1.39 -0.15 0.00 -0.11 0.00 0.00 43.42 42.37 4trx n LEU 22 CO 0.47 -0.72 -0.36 -0.69 -1.51 0.00 0.00 177.39 174.58 4trx s VAL 23 N -0.38 1.14 -0.22 4.08 1.01 -0.79 -2.38 120.40 122.86 4trx s VAL 23 Ca 0.65 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 4trx s VAL 23 Cb -0.67 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 4trx s VAL 23 CO 0.53 -0.45 0.14 -0.69 0.00 0.00 0.00 175.10 174.64 4trx s VAL 24 N 1.52 5.28 0.02 2.92 1.01 -1.08 -0.27 120.40 129.79 4trx s VAL 24 Ca 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 4trx s VAL 24 Cb -0.18 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 4trx s VAL 24 CO -0.16 0.38 0.19 -0.69 0.00 0.00 0.00 175.10 174.83 4trx s VAL 25 N 0.80 5.41 -0.59 2.92 1.01 0.45 -2.56 120.40 127.84 4trx s VAL 25 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 4trx s VAL 25 Cb -0.13 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 32.83 4trx s VAL 25 CO 0.02 0.25 0.37 -0.62 0.00 0.00 0.00 175.10 175.12 4trx s ASP 26 N -2.18 4.81 -0.74 3.32 2.15 -0.86 -1.21 116.67 121.97 4trx s ASP 26 Ca 0.30 -3.01 -0.26 0.00 0.43 0.00 0.00 52.55 50.01 4trx s ASP 26 Cb -0.13 -1.75 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 4trx s ASP 26 CO 0.23 -0.28 1.45 -0.36 -0.17 0.00 0.00 175.17 176.04 4trx s PHE 27 N -0.29 2.14 0.32 -5.34 0.08 0.02 -2.47 117.98 112.44 4trx s PHE 27 Ca 0.18 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.33 4trx s PHE 27 Cb -0.22 -4.49 -0.01 0.00 -0.57 0.00 0.00 43.02 37.73 4trx s PHE 27 CO -0.03 -2.11 0.37 -1.54 -0.10 0.00 0.00 175.22 171.82 4trx s SER 28 N 5.03 1.01 -0.00 1.36 1.04 -1.06 -0.91 113.70 120.17 4trx s SER 28 Ca 0.45 -1.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 4trx s SER 28 Cb -0.08 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 4trx s SER 28 CO 0.14 -1.16 0.16 0.00 0.98 0.00 0.00 173.24 173.36 4trx s ALA 29 N -3.36 3.89 -0.18 5.32 0.00 -1.26 -2.18 121.76 123.99 4trx s ALA 29 Ca 0.34 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 4trx s ALA 29 Cb 0.01 -1.82 -0.21 0.00 0.00 0.00 0.00 23.12 21.10 4trx s ALA 29 CO 0.21 0.75 0.19 -2.37 0.00 0.00 0.00 175.76 174.54 4trx n THR 30 N 0.92 1.64 -0.02 0.00 5.66 -1.26 -3.94 114.28 117.27 4trx n THR 30 Ca -0.11 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.43 4trx n THR 30 Cb 0.52 -1.85 -0.04 0.00 -1.55 0.00 0.00 70.33 67.42 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 -0.47 0.04 -2.18 1.09 5.08 -2.02 -3.44 115.95 114.05 4trx h TRP 31 Ca -0.43 0.01 -0.47 0.00 1.08 0.00 0.00 58.89 59.08 4trx h TRP 31 Cb 1.69 0.00 0.24 0.00 -3.00 0.00 0.00 29.16 28.09 4trx h TRP 31 CO 0.07 0.01 -1.30 0.00 -1.28 0.00 0.00 178.44 175.94 4trx n GLY 33 N 2.22 -0.41 0.32 0.00 0.00 -1.26 -4.17 105.19 101.89 4trx n GLY 33 Ca 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.10 0.00 0.11 1.61 0.11 -1.97 0.21 132.00 131.98 4trx h PRO 34 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 4trx h PRO 34 Cb 0.10 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.22 4trx h PRO 34 CO 0.00 0.00 -0.70 0.00 -0.21 0.00 0.00 178.00 177.09 4trx n LYS 36 N -4.22 1.13 0.22 0.00 4.81 0.50 -3.12 118.16 117.49 4trx n LYS 36 Ca -0.14 -0.19 0.12 0.00 -0.87 0.00 0.00 58.31 57.23 4trx n LYS 36 Cb 0.76 -1.48 0.22 0.00 0.02 0.00 0.00 35.03 34.55 4trx n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 4trx h MET 37 N 0.45 0.00 -0.02 1.64 4.05 -0.87 -2.97 114.93 117.21 4trx h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 4trx h MET 37 Cb 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 4trx h MET 37 CO 0.00 0.01 -0.11 -0.89 0.23 0.00 0.00 176.91 176.16 4trx n ILE 38 N -3.10 0.00 -0.12 1.77 2.08 -1.18 -4.32 119.36 114.49 4trx n ILE 38 Ca 0.04 -0.36 -0.11 0.00 0.56 0.00 0.00 62.75 62.88 4trx n ILE 38 Cb 0.51 1.09 -0.03 0.00 -0.75 0.00 0.00 39.64 40.46 4trx n ILE 38 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 4trx h LYS 39 N 3.36 0.61 0.00 0.38 3.64 -1.67 -2.42 116.57 120.48 4trx h LYS 39 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 4trx h LYS 39 Cb 0.78 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 4trx h LYS 39 CO 0.00 0.74 0.03 -2.30 -2.27 0.00 0.00 179.45 175.65 4trx n PRO 40 N -4.50 0.00 -0.10 1.90 -0.02 -1.26 0.18 135.00 131.20 4trx n PRO 40 Ca -0.02 0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.44 4trx n PRO 40 Cb 0.28 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.12 0.00 0.31 6.00 3.01 -0.94 -3.99 117.46 120.72 4trx n PHE 41 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 4trx n PHE 41 Cb 0.03 -0.73 0.16 0.00 -0.01 0.00 0.00 39.48 38.94 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 -0.49 0.00 0.00 1.38 3.57 -0.92 -3.24 116.94 117.24 4trx h PHE 42 Ca -0.49 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 4trx h PHE 42 Cb 1.52 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 4trx h PHE 42 CO -0.04 0.00 -0.72 1.25 -2.23 0.00 0.00 178.31 176.57 4trx h HIS 43 N 0.00 0.00 0.00 0.41 2.76 0.17 -3.28 115.15 115.21 4trx h HIS 43 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 4trx h HIS 43 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 4trx h HIS 43 CO 0.00 0.10 0.00 -1.13 -1.30 0.00 0.00 177.93 175.60 4trx n SER 44 N -2.86 0.01 0.00 3.26 3.41 -1.22 -2.93 113.62 113.28 4trx n SER 44 Ca 0.00 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 4trx n SER 44 Cb 0.59 -0.50 0.57 0.00 -0.26 0.00 0.00 64.21 64.60 4trx n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 4trx n LEU 45 N -1.51 0.00 0.31 1.04 4.77 -1.24 -3.20 117.00 117.18 4trx n LEU 45 Ca 0.07 0.42 0.18 0.00 -0.03 0.00 0.00 56.01 56.64 4trx n LEU 45 Cb 0.32 -0.42 1.01 0.00 -2.33 0.00 0.00 43.42 42.00 4trx n LEU 45 CO 0.25 -0.06 1.13 0.77 -1.33 0.00 0.00 177.39 178.15 4trx h SER 46 N 0.00 0.00 0.00 -1.43 4.64 -1.76 -1.95 113.55 113.05 4trx h SER 46 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 4trx h SER 46 Cb 0.35 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 4trx h SER 46 CO 0.00 0.01 -2.20 -0.62 -0.87 0.00 0.00 176.83 173.15 4trx n GLU 47 N -3.54 0.50 0.24 4.77 -0.58 -1.19 -3.23 120.64 117.60 4trx n GLU 47 Ca -0.03 0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 4trx n GLU 47 Cb 0.10 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 4trx n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 4trx h LYS 48 N -0.26 -0.60 -6.08 3.49 3.11 -1.63 -3.37 116.57 111.22 4trx h LYS 48 Ca -0.50 0.04 -0.60 0.00 -2.81 0.00 0.00 60.65 56.79 4trx h LYS 48 Cb 1.64 0.14 -0.10 0.00 -1.00 0.00 0.00 32.23 32.91 4trx h LYS 48 CO -0.16 -0.40 1.39 0.71 -2.81 0.00 0.00 179.45 178.18 4trx s TYR 49 N -3.88 2.52 -1.50 1.91 2.02 -0.74 -4.74 117.35 112.95 4trx s TYR 49 Ca -0.09 -0.75 0.24 0.00 -0.37 0.00 0.00 57.07 56.11 4trx s TYR 49 Cb 0.01 -4.66 0.40 0.00 -0.40 0.00 0.00 41.96 37.30 4trx s TYR 49 CO 0.27 -1.93 1.34 -1.13 -1.57 0.00 0.00 175.55 172.53 4trx n SER 50 N 8.83 1.08 -1.41 2.29 3.41 -1.26 -3.82 113.62 122.74 4trx n SER 50 Ca 0.28 -0.86 0.11 0.00 -0.26 0.00 0.00 58.87 58.13 4trx n SER 50 Cb 0.51 0.36 0.33 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.87 4.25 -4.08 4.04 5.15 -1.26 -4.90 115.26 117.58 4trx n ASN 51 Ca 0.09 -2.19 -0.16 0.00 -0.60 0.00 0.00 54.58 51.72 4trx n ASN 51 Cb 0.37 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 4trx s VAL 52 N -1.36 0.73 -0.01 3.44 1.01 -1.25 -4.73 120.40 118.23 4trx s VAL 52 Ca 0.49 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 4trx s VAL 52 Cb 0.28 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 4trx s VAL 52 CO 0.29 -0.19 0.27 -0.63 0.00 0.00 0.00 175.10 174.85 4trx s ILE 53 N -1.03 5.29 -0.02 2.22 1.09 -1.00 -4.30 121.20 123.45 4trx s ILE 53 Ca -0.04 0.30 0.03 0.00 -1.10 0.00 0.00 60.65 59.84 4trx s ILE 53 Cb -0.08 -3.56 -0.00 0.00 -1.06 0.00 0.00 42.46 37.76 4trx s ILE 53 CO 0.01 0.44 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.81 4trx s PHE 54 N -1.22 1.15 0.19 3.97 0.08 -1.26 -2.65 117.98 118.24 4trx s PHE 54 Ca 0.25 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 57.10 4trx s PHE 54 Cb -0.14 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 4trx s PHE 54 CO 0.13 -0.08 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.54 4trx s LEU 55 N -0.03 2.55 -0.13 -0.37 1.02 -1.06 -0.47 118.68 120.19 4trx s LEU 55 Ca 0.00 -1.02 -0.01 0.00 0.02 0.00 0.00 54.13 53.12 4trx s LEU 55 Cb -0.08 -0.56 0.04 0.00 0.02 0.00 0.00 46.19 45.61 4trx s LEU 55 CO 0.00 -0.22 -0.01 -0.70 0.02 0.00 0.00 176.35 175.44 4trx s GLU 56 N -3.68 0.92 -0.14 1.70 2.56 0.57 -2.02 118.70 118.61 4trx s GLU 56 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 54.97 54.91 4trx s GLU 56 Cb 0.00 -1.57 -0.04 0.00 2.00 0.00 0.00 34.13 34.52 4trx s GLU 56 CO 0.05 -0.41 0.08 0.08 -0.56 0.00 0.00 175.26 174.49 4trx s VAL 57 N 1.84 4.98 -0.51 3.70 1.01 -1.03 -2.38 120.40 128.01 4trx s VAL 57 Ca 0.03 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 4trx s VAL 57 Cb -0.14 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.13 4trx s VAL 57 CO -0.07 0.56 0.55 -0.62 0.00 0.00 0.00 175.10 175.52 4trx s ASP 58 N -0.47 6.19 0.00 3.32 2.15 -1.26 -2.56 116.67 124.04 4trx s ASP 58 Ca 0.10 -1.16 0.04 0.00 0.43 0.00 0.00 52.55 51.96 4trx s ASP 58 Cb -0.12 -2.25 0.22 0.00 -0.30 0.00 0.00 42.92 40.47 4trx s ASP 58 CO 0.02 -0.83 0.59 1.33 -0.17 0.00 0.00 175.17 176.10 4trx n VAL 59 N 5.45 0.00 -0.10 1.11 0.24 -0.93 -0.20 118.33 123.90 4trx n VAL 59 Ca -0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 4trx n VAL 59 Cb 0.44 -0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 32.00 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 -0.83 1.88 0.00 -1.34 2.03 -1.26 -4.29 116.55 112.74 4trx n ASP 60 Ca 0.03 0.45 0.02 0.00 0.52 0.00 0.00 54.79 55.81 4trx n ASP 60 Cb 0.01 -0.88 -0.11 0.00 -0.72 0.00 0.00 41.12 39.42 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 -4.45 0.48 -2.87 1.67 2.03 -1.07 -4.29 116.55 108.04 4trx n ASP 61 Ca -0.28 0.21 -0.39 0.00 0.52 0.00 0.00 54.79 54.85 4trx n ASP 61 Cb 0.59 0.79 0.04 0.00 -0.72 0.00 0.00 41.12 41.82 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 2.94 0.00 0.16 0.00 4.20 -1.75 -2.64 115.11 118.03 4trx h GLN 63 Ca 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.25 4trx h GLN 63 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 4trx h GLN 63 CO 1.40 0.00 -0.08 0.38 -0.67 0.00 0.00 178.83 179.86 4trx h ASP 64 N 0.00 -0.18 -0.28 1.46 2.03 -1.94 -1.63 116.42 115.88 4trx h ASP 64 Ca 0.00 -0.36 0.01 0.00 -0.73 0.00 0.00 57.03 55.95 4trx h ASP 64 Cb 0.13 0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 4trx h ASP 64 CO 0.00 0.33 0.17 0.58 -1.03 0.00 0.00 179.24 179.29 4trx h VAL 65 N -0.76 1.04 -0.46 4.15 2.07 -1.82 -1.59 116.25 118.89 4trx h VAL 65 Ca -0.02 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.43 4trx h VAL 65 Cb 0.52 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 4trx h VAL 65 CO 0.04 0.06 0.18 0.00 0.02 0.00 0.00 177.57 177.87 4trx h ALA 66 N 1.12 0.56 0.00 1.67 0.00 -1.54 0.42 119.26 121.49 4trx h ALA 66 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 4trx h ALA 66 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 4trx h ALA 66 CO -0.04 -0.20 0.00 0.45 0.00 0.00 0.00 179.25 179.46 4trx n SER 67 N -4.97 0.41 0.08 0.00 2.88 -0.61 -1.00 113.62 110.41 4trx n SER 67 Ca 0.04 0.65 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 4trx n SER 67 Cb 0.16 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 62.85 4trx n SER 67 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 4trx h GLU 68 N 0.00 0.11 -0.64 -1.46 4.22 0.81 -2.93 114.58 114.70 4trx h GLU 68 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 4trx h GLU 68 Cb 0.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.44 4trx h GLU 68 CO 0.00 0.97 0.00 0.00 -2.18 0.00 0.00 179.01 177.80 4trx n GLU 70 N 0.92 -0.90 -2.09 0.00 0.28 -0.94 -4.86 120.64 113.04 4trx n GLU 70 Ca 0.25 0.07 -0.32 0.00 -0.16 0.00 0.00 57.16 57.01 4trx n GLU 70 Cb 0.95 -2.67 -0.01 0.00 1.43 0.00 0.00 31.44 31.14 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 4trx s VAL 71 N -3.38 4.45 0.00 3.84 1.01 -1.20 -4.98 120.40 120.14 4trx s VAL 71 Ca 0.21 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.30 4trx s VAL 71 Cb -0.12 -3.69 0.17 0.00 0.00 0.00 0.00 36.38 32.74 4trx s VAL 71 CO 0.67 -0.84 1.01 1.17 0.00 0.00 0.00 175.10 177.12 4trx n LYS 72 N -2.18 0.00 -3.65 2.72 4.81 -1.26 -4.92 118.16 113.68 4trx n LYS 72 Ca 0.07 -1.28 -0.02 0.00 -0.87 0.00 0.00 58.31 56.20 4trx n LYS 72 Cb 0.54 -0.10 -0.07 0.00 0.02 0.00 0.00 35.03 35.42 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 1.04 2.73 0.50 0.00 -4.23 -1.26 -4.10 115.64 110.33 4trx s THR 74 Ca -0.06 -1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 58.37 4trx s THR 74 Cb -0.04 -2.34 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 4trx s THR 74 CO -0.13 -0.14 1.00 -2.16 -0.54 0.00 0.00 174.62 172.65 4trx s PRO 75 N -2.81 3.87 -0.09 3.99 0.04 -1.26 -4.92 135.00 133.81 4trx s PRO 75 Ca 0.23 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 4trx s PRO 75 Cb -0.08 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.37 4trx s PRO 75 CO 0.13 -0.34 -0.05 0.99 0.04 0.00 0.00 177.00 177.77 4trx s THR 76 N -2.39 0.77 -0.09 1.26 2.01 -0.09 -2.65 115.64 114.47 4trx s THR 76 Ca 0.62 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 4trx s THR 76 Cb -0.12 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 4trx s THR 76 CO 0.26 0.32 0.36 -0.36 -0.69 0.00 0.00 174.62 174.52 4trx s PHE 77 N 1.76 3.57 0.14 4.92 0.08 -0.98 -0.80 117.98 126.67 4trx s PHE 77 Ca 0.04 0.79 0.10 0.00 0.12 0.00 0.00 56.93 57.98 4trx s PHE 77 Cb -0.13 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 4trx s PHE 77 CO -0.07 0.40 -0.23 -1.14 -0.10 0.00 0.00 175.22 174.08 4trx s GLN 78 N -0.14 1.31 -0.19 0.44 2.00 -0.35 -1.64 119.66 121.10 4trx s GLN 78 Ca 0.21 -1.33 -0.00 0.00 -2.00 0.00 0.00 55.36 52.23 4trx s GLN 78 Cb -0.15 -1.62 0.01 0.00 0.80 0.00 0.00 33.01 32.05 4trx s GLN 78 CO 0.09 0.37 -0.16 -0.06 -0.50 0.00 0.00 175.29 175.02 4trx s PHE 79 N -1.39 2.82 -0.13 1.67 0.40 0.62 -0.41 117.98 121.57 4trx s PHE 79 Ca 0.13 -1.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.06 4trx s PHE 79 Cb -0.09 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.49 4trx s PHE 79 CO 0.06 -0.72 -0.22 -0.06 0.70 0.00 0.00 175.22 174.98 4trx s PHE 80 N 1.30 2.64 -0.03 0.36 0.08 0.62 -1.87 117.98 121.09 4trx s PHE 80 Ca 0.04 -1.19 0.03 0.00 0.12 0.00 0.00 56.93 55.93 4trx s PHE 80 Cb -0.14 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 4trx s PHE 80 CO -0.10 -0.52 -0.11 0.21 -0.10 0.00 0.00 175.22 174.60 4trx s LYS 81 N 0.62 1.15 -0.66 0.44 2.47 0.00 -1.88 119.74 121.89 4trx s LYS 81 Ca -0.11 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 4trx s LYS 81 Cb -0.16 -1.05 0.00 0.00 -1.46 0.00 0.00 37.83 35.15 4trx s LYS 81 CO 0.02 0.15 0.00 1.63 0.16 0.00 0.00 175.35 177.32 4trx n LYS 82 N 3.22 -1.78 -0.50 4.03 4.76 -1.26 0.16 118.16 126.79 4trx n LYS 82 Ca -0.18 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 4trx n LYS 82 Cb 0.54 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.88 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 4trx n GLY 83 N 0.41 0.70 2.95 0.72 0.00 -1.26 -5.06 105.19 103.65 4trx n GLY 83 Ca -0.06 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.89 0.53 0.29 1.61 -1.52 0.12 -5.12 119.66 114.68 4trx s GLN 84 Ca 0.00 -0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 4trx s GLN 84 Cb 0.00 -0.53 -0.10 0.00 -0.22 0.00 0.00 33.01 32.15 4trx s GLN 84 CO 0.00 0.07 1.39 0.21 -0.25 0.00 0.00 175.29 176.71 4trx s LYS 85 N 0.13 4.29 0.00 2.91 2.20 -1.26 -0.82 119.74 127.19 4trx s LYS 85 Ca -0.01 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 4trx s LYS 85 Cb -0.05 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 4trx s LYS 85 CO -0.00 -0.34 0.00 1.33 -0.36 0.00 0.00 175.35 175.98 4trx n VAL 86 N 1.63 0.00 -3.84 4.02 0.24 -0.78 -4.89 118.33 114.72 4trx n VAL 86 Ca 0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 4trx n VAL 86 Cb 0.41 -0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.04 -0.30 7.63 0.00 -1.22 -5.02 107.32 106.99 4trx s GLY 87 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 4trx s GLY 87 CO 0.00 -0.59 1.01 -1.83 0.00 0.00 0.00 173.10 171.70 4trx s GLU 88 N -3.19 0.29 -0.17 2.90 -1.05 -1.26 -0.27 118.70 115.95 4trx s GLU 88 Ca -0.00 0.64 -0.12 0.00 -0.15 0.00 0.00 54.97 55.34 4trx s GLU 88 Cb 0.02 0.30 0.05 0.00 -0.44 0.00 0.00 34.13 34.06 4trx s GLU 88 CO -0.07 -0.09 0.43 -0.59 0.95 0.00 0.00 175.26 175.89 4trx s PHE 89 N 2.05 -0.57 0.50 4.83 -0.12 -0.65 -5.02 117.98 118.99 4trx s PHE 89 Ca -0.04 1.26 0.06 0.00 -0.05 0.00 0.00 56.93 58.16 4trx s PHE 89 Cb -0.05 0.24 0.01 0.00 -0.63 0.00 0.00 43.02 42.59 4trx s PHE 89 CO -0.16 -0.30 0.35 -1.54 -0.05 0.00 0.00 175.22 173.52 4trx s SER 90 N 0.91 4.66 0.00 1.98 1.04 -1.26 -2.33 113.70 118.70 4trx s SER 90 Ca -0.05 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.24 4trx s SER 90 Cb -0.06 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.14 4trx s SER 90 CO -0.07 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.84 4trx n GLY 91 N -1.62 3.70 3.49 7.32 0.00 -1.08 -4.92 105.19 112.07 4trx n GLY 91 Ca -0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 0.15 0.48 -3.37 4.61 0.00 -1.26 -4.76 120.51 116.36 4trx n ALA 92 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 53.44 51.90 4trx n ALA 92 Cb 0.00 -2.81 -0.08 0.00 0.00 0.00 0.00 19.45 16.56 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 6.87 0.58 -0.22 0.00 3.04 -1.26 -5.01 114.94 118.95 4trx s ASN 93 Ca 0.88 -0.04 0.11 0.00 0.04 0.00 0.00 52.86 53.85 4trx s ASN 93 Cb -0.25 0.95 -0.21 0.00 -1.54 0.00 0.00 41.25 40.20 4trx s ASN 93 CO 0.20 -0.32 -0.06 2.29 -3.04 0.00 0.00 177.10 176.17 4trx n LYS 94 N 5.35 0.74 0.26 0.43 0.00 -1.26 -4.18 118.16 119.50 4trx n LYS 94 Ca -0.03 0.06 0.17 0.00 -0.00 0.00 0.00 58.31 58.51 4trx n LYS 94 Cb 0.49 -1.50 0.87 0.00 -0.00 0.00 0.00 35.03 34.90 4trx n LYS 94 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 4trx h GLU 95 N 0.00 0.00 0.20 -1.58 -0.00 -1.99 -2.19 114.58 109.02 4trx h GLU 95 Ca -0.54 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.48 4trx h GLU 95 Cb 2.05 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 30.82 4trx h GLU 95 CO -0.02 0.00 -1.62 -0.22 -0.00 0.00 0.00 179.01 177.15 4trx h LYS 96 N 0.00 0.43 -0.72 1.06 3.64 -2.00 -3.36 116.57 115.62 4trx h LYS 96 Ca 0.00 -0.73 0.12 0.00 -1.27 0.00 0.00 60.65 58.77 4trx h LYS 96 Cb 0.14 0.27 -0.13 0.00 -0.41 0.00 0.00 32.23 32.11 4trx h LYS 96 CO 0.00 1.34 -0.34 -0.07 -2.27 0.00 0.00 179.45 178.11 4trx h LEU 97 N 0.12 -1.20 0.00 5.20 3.38 -1.56 0.20 115.31 121.45 4trx h LEU 97 Ca -0.30 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.93 4trx h LEU 97 Cb 2.11 0.62 0.00 0.00 0.09 0.00 0.00 40.66 43.48 4trx h LEU 97 CO 0.21 -0.30 0.00 1.21 0.09 0.00 0.00 178.44 179.66 4trx n GLU 98 N -5.45 0.00 -0.33 1.13 2.13 -1.24 -0.28 120.64 116.59 4trx n GLU 98 Ca 0.06 0.86 0.13 0.00 0.66 0.00 0.00 57.16 58.88 4trx n GLU 98 Cb 0.37 -1.48 0.35 0.00 0.27 0.00 0.00 31.44 30.95 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 -1.26 1.76 -0.64 4.31 0.00 -1.60 0.02 119.26 121.84 4trx h ALA 99 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 4trx h ALA 99 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 4trx h ALA 99 CO 0.00 -0.09 0.36 1.15 0.00 0.00 0.00 179.25 180.68 4trx h THR 100 N 0.74 0.99 -0.90 0.00 2.02 0.13 0.02 112.91 115.90 4trx h THR 100 Ca 0.54 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.54 4trx h THR 100 Cb 0.87 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 4trx h THR 100 CO -0.31 0.12 0.57 0.40 0.37 0.00 0.00 175.52 176.68 4trx h ILE 101 N 0.68 1.08 0.00 3.11 1.08 0.13 0.70 117.51 124.29 4trx h ILE 101 Ca 0.28 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 4trx h ILE 101 Cb 0.15 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 4trx h ILE 101 CO -0.16 0.19 0.00 -1.13 -0.69 0.00 0.00 178.15 176.36 4trx h ASN 102 N 1.06 0.00 -0.00 1.72 -0.73 -0.61 0.80 115.58 117.81 4trx h ASN 102 Ca 0.39 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.50 4trx h ASN 102 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 4trx h ASN 102 CO -0.16 0.00 -0.24 -0.08 -0.37 0.00 0.00 177.43 176.58 4trx h GLU 103 N 0.00 0.16 -0.01 6.67 4.81 0.11 -3.33 114.58 122.98 4trx h GLU 103 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 4trx h GLU 103 Cb 0.02 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 4trx h GLU 103 CO 0.00 0.92 -0.56 1.28 -0.73 0.00 0.00 179.01 179.92 4trx n LEU 104 N -4.51 1.84 0.00 1.64 4.77 -0.70 -5.13 117.00 114.91 4trx n LEU 104 Ca -0.10 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 4trx n LEU 104 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 4trx n LEU 104 CO 0.39 0.35 0.09 0.55 -1.33 0.00 0.00 177.39 177.44