#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 0.01 -3.90 2.03 0.31 -1.25 -3.77 118.33 111.76 4trx n VAL 2 Ca 0.00 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 4trx n VAL 2 Cb 0.00 -1.64 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 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 0.99 0.47 -0.09 5.55 2.20 -0.56 -5.00 119.74 123.30 4trx s LYS 3 Ca 0.78 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.87 4trx s LYS 3 Cb -0.64 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 4trx s LYS 3 CO 0.37 -0.11 0.08 -1.14 -0.36 0.00 0.00 175.35 174.19 4trx s GLN 4 N -1.54 3.22 0.77 4.03 0.74 -1.26 -0.04 119.66 125.58 4trx s GLN 4 Ca -0.14 -0.28 -0.10 0.00 0.05 0.00 0.00 55.36 54.89 4trx s GLN 4 Cb -0.07 -3.00 0.17 0.00 1.10 0.00 0.00 33.01 31.21 4trx s GLN 4 CO 0.00 0.74 1.05 -0.89 -0.55 0.00 0.00 175.29 175.64 4trx n ILE 5 N 1.95 0.00 0.00 -2.34 2.08 -0.94 -4.92 119.36 115.20 4trx n ILE 5 Ca -0.19 -0.96 0.00 0.00 0.56 0.00 0.00 62.75 62.16 4trx n ILE 5 Cb 0.54 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 4trx n ILE 5 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 4trx n GLU 6 N -3.17 0.00 -3.85 0.38 2.13 -1.26 -4.94 120.64 109.93 4trx n GLU 6 Ca 0.14 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.82 4trx n GLU 6 Cb 0.49 -0.45 -0.03 0.00 0.27 0.00 0.00 31.44 31.72 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 -1.32 -1.21 0.15 4.31 3.41 -1.26 -4.78 113.62 112.91 4trx n SER 7 Ca 0.00 -2.80 -0.10 0.00 -0.26 0.00 0.00 58.87 55.71 4trx n SER 7 Cb 0.00 2.29 -0.06 0.00 -0.26 0.00 0.00 64.21 66.18 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 -0.43 -1.47 4.33 3.11 -1.94 -2.48 116.57 117.70 4trx h LYS 8 Ca -0.25 0.03 0.43 0.00 -2.81 0.00 0.00 60.65 58.05 4trx h LYS 8 Cb 1.11 0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.37 4trx h LYS 8 CO 0.34 -0.15 1.05 1.15 -2.81 0.00 0.00 179.45 179.03 4trx h THR 9 N -1.02 0.25 0.03 1.00 2.02 -2.00 0.50 112.91 113.69 4trx h THR 9 Ca -0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 4trx h THR 9 Cb 0.48 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 4trx h THR 9 CO 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.95 4trx h ALA 10 N 1.29 -0.04 -1.01 6.16 0.00 -1.95 -2.82 119.26 120.89 4trx h ALA 10 Ca 0.71 -0.31 0.29 0.00 0.00 0.00 0.00 54.91 55.61 4trx h ALA 10 Cb 2.79 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.56 4trx h ALA 10 CO -0.05 -0.19 0.91 0.35 0.00 0.00 0.00 179.25 180.27 4trx h PHE 11 N -0.71 0.00 0.09 0.00 3.57 0.46 0.31 116.94 120.66 4trx h PHE 11 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 4trx h PHE 11 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 4trx h PHE 11 CO 0.14 0.00 -0.04 1.96 -2.23 0.00 0.00 178.31 178.14 4trx h GLN 12 N 0.00 -0.11 0.00 1.11 7.50 -1.31 -3.09 115.11 119.21 4trx h GLN 12 Ca 0.48 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.64 4trx h GLN 12 Cb 2.30 0.03 0.00 0.00 0.05 0.00 0.00 27.48 29.85 4trx h GLN 12 CO -0.01 -0.07 0.00 -0.85 -1.50 0.00 0.00 178.83 176.40 4trx n GLU 13 N -3.48 0.02 0.06 1.46 -0.00 -0.62 -0.70 120.64 117.38 4trx n GLU 13 Ca -0.01 0.51 -0.12 0.00 -0.00 0.00 0.00 57.16 57.54 4trx n GLU 13 Cb 0.05 -1.57 -0.13 0.00 -0.00 0.00 0.00 31.44 29.78 4trx n GLU 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 4trx h ALA 14 N 2.02 0.32 0.00 -1.84 0.00 -0.50 -2.72 119.26 116.54 4trx h ALA 14 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 4trx h ALA 14 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4trx h ALA 14 CO 0.00 1.20 0.00 1.28 0.00 0.00 0.00 179.25 181.73 4trx n LEU 15 N -3.38 0.58 0.03 0.00 4.77 0.12 -2.73 117.00 116.39 4trx n LEU 15 Ca -0.09 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 4trx n LEU 15 Cb 1.01 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 4trx n LEU 15 CO 0.49 -0.14 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.45 4trx n ASP 16 N -2.05 0.46 0.09 -1.43 2.03 -1.07 -4.05 116.55 110.53 4trx n ASP 16 Ca 0.06 -0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.45 4trx n ASP 16 Cb 0.40 1.18 -0.02 0.00 -0.72 0.00 0.00 41.12 41.96 4trx n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx h ALA 17 N 2.19 0.55 0.00 -1.67 0.00 -1.39 -3.28 119.26 115.65 4trx h ALA 17 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 4trx h ALA 17 Cb 0.91 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 4trx h ALA 17 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 4trx n ALA 18 N -2.23 2.42 -0.17 0.00 0.00 -1.10 -4.97 120.51 114.46 4trx n ALA 18 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 4trx n ALA 18 Cb 0.63 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.49 1.56 0.00 0.00 0.00 -1.24 -4.01 105.19 102.00 4trx n GLY 19 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 4trx n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4trx n ASP 20 N 7.62 0.02 -3.14 1.61 5.68 -1.26 -4.71 116.55 122.37 4trx n ASP 20 Ca 0.00 -0.19 -0.08 0.00 -0.50 0.00 0.00 54.79 54.02 4trx n ASP 20 Cb 0.00 0.23 0.08 0.00 -1.14 0.00 0.00 41.12 40.29 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 4trx n LYS 21 N -0.23 -1.50 -2.19 0.11 4.01 -1.26 -4.01 118.16 113.09 4trx n LYS 21 Ca 0.00 -0.37 -0.41 0.00 -0.51 0.00 0.00 58.31 57.02 4trx n LYS 21 Cb 0.01 -0.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.91 4trx n LYS 21 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 4trx s LEU 22 N 0.00 4.44 -0.28 -0.35 2.96 -1.26 -4.58 118.68 119.62 4trx s LEU 22 Ca 0.17 2.55 -0.01 0.00 -0.22 0.00 0.00 54.13 56.62 4trx s LEU 22 Cb -0.03 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.11 4trx s LEU 22 CO 0.14 -0.48 0.08 -0.69 -1.32 0.00 0.00 176.35 174.08 4trx s VAL 23 N -0.78 0.75 0.11 1.68 1.01 -0.57 -2.46 120.40 120.15 4trx s VAL 23 Ca 0.51 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 4trx s VAL 23 Cb -0.38 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 4trx s VAL 23 CO 0.47 -0.54 0.29 -0.69 0.00 0.00 0.00 175.10 174.63 4trx s VAL 24 N 1.70 5.30 -0.04 2.92 1.01 -1.07 0.15 120.40 130.37 4trx s VAL 24 Ca 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.78 4trx s VAL 24 Cb -0.17 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 4trx s VAL 24 CO -0.21 0.04 -0.18 -0.69 0.00 0.00 0.00 175.10 174.07 4trx s VAL 25 N -1.63 1.45 -0.71 2.92 1.01 -0.01 -1.25 120.40 122.19 4trx s VAL 25 Ca 0.37 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 4trx s VAL 25 Cb -0.12 -1.24 0.19 0.00 0.00 0.00 0.00 36.38 35.20 4trx s VAL 25 CO 0.27 0.42 0.60 -0.62 0.00 0.00 0.00 175.10 175.77 4trx s ASP 26 N -0.03 6.11 -0.73 3.32 2.15 -1.10 -1.53 116.67 124.86 4trx s ASP 26 Ca -0.02 -2.63 -0.27 0.00 0.43 0.00 0.00 52.55 50.06 4trx s ASP 26 Cb -0.11 -2.07 0.02 0.00 -0.30 0.00 0.00 42.92 40.46 4trx s ASP 26 CO 0.02 -0.53 1.37 -0.36 -0.17 0.00 0.00 175.17 175.50 4trx s PHE 27 N 0.26 2.20 0.27 -5.34 0.08 -0.38 -2.50 117.98 112.57 4trx s PHE 27 Ca 0.16 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.25 4trx s PHE 27 Cb -0.16 -4.56 -0.03 0.00 -0.57 0.00 0.00 43.02 37.71 4trx s PHE 27 CO -0.06 -2.10 0.27 -1.54 -0.10 0.00 0.00 175.22 171.69 4trx s SER 28 N 4.39 0.74 0.15 1.36 1.04 -0.95 -1.03 113.70 119.40 4trx s SER 28 Ca 0.40 -1.48 0.01 0.00 0.48 0.00 0.00 55.95 55.36 4trx s SER 28 Cb -0.08 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 4trx s SER 28 CO 0.15 -1.02 0.32 0.00 0.98 0.00 0.00 173.24 173.67 4trx s ALA 29 N -3.73 3.91 -0.27 5.32 0.00 -1.26 -2.02 121.76 123.71 4trx s ALA 29 Ca 0.36 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 4trx s ALA 29 Cb 0.03 -1.89 -0.15 0.00 0.00 0.00 0.00 23.12 21.12 4trx s ALA 29 CO 0.18 0.55 -0.28 -2.37 0.00 0.00 0.00 175.76 173.85 4trx n THR 30 N -0.43 1.52 -0.19 0.00 5.66 -1.26 -3.59 114.28 116.00 4trx n THR 30 Ca -0.06 -0.46 -0.03 0.00 -3.05 0.00 0.00 64.05 60.46 4trx n THR 30 Cb 0.53 -1.70 0.07 0.00 -1.55 0.00 0.00 70.33 67.69 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 -0.58 0.50 -3.69 1.09 5.08 -2.00 -3.43 115.95 112.92 4trx h TRP 31 Ca -0.64 0.02 -0.47 0.00 1.08 0.00 0.00 58.89 58.88 4trx h TRP 31 Cb 1.73 -0.14 0.20 0.00 -3.00 0.00 0.00 29.16 27.95 4trx h TRP 31 CO -0.03 0.22 0.11 0.00 -1.28 0.00 0.00 178.44 177.46 4trx n GLY 33 N 0.31 -0.47 0.17 0.00 0.00 -1.26 -4.06 105.19 99.88 4trx n GLY 33 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 0.12 1.61 0.11 -1.97 0.68 132.00 132.55 4trx h PRO 34 Ca 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.77 4trx h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 4trx h PRO 34 CO 0.00 0.00 -1.83 0.00 -0.21 0.00 0.00 178.00 175.96 4trx n LYS 36 N -3.64 1.46 0.04 0.00 4.81 0.13 -3.68 118.16 117.27 4trx n LYS 36 Ca -0.30 -0.90 0.11 0.00 -0.87 0.00 0.00 58.31 56.35 4trx n LYS 36 Cb 1.00 -1.48 0.46 0.00 0.02 0.00 0.00 35.03 35.03 4trx n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 4trx n MET 37 N 0.02 0.07 -0.05 1.64 1.56 0.19 -2.20 117.12 118.35 4trx n MET 37 Ca 0.16 0.19 0.12 0.00 -0.27 0.00 0.00 57.70 57.90 4trx n MET 37 Cb 0.38 -1.61 0.45 0.00 2.15 0.00 0.00 33.22 34.58 4trx n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 4trx n ILE 38 N -1.74 0.13 0.14 1.12 -0.00 -1.24 -4.33 119.36 113.43 4trx n ILE 38 Ca 0.05 -0.29 -0.13 0.00 -0.00 0.00 0.00 62.75 62.37 4trx n ILE 38 Cb 0.28 0.36 -0.06 0.00 -0.00 0.00 0.00 39.64 40.22 4trx n ILE 38 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 4trx h LYS 39 N 2.10 -0.41 0.00 0.38 1.57 -1.70 -1.61 116.57 116.90 4trx h LYS 39 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 4trx h LYS 39 Cb 0.46 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 4trx h LYS 39 CO 0.00 -0.28 0.03 -2.30 -0.57 0.00 0.00 179.45 176.33 4trx n PRO 40 N -5.33 0.00 -0.06 3.15 -0.02 -1.26 0.70 135.00 132.18 4trx n PRO 40 Ca -0.08 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 4trx n PRO 40 Cb 0.24 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.01 0.00 0.07 6.00 3.01 -0.64 -4.23 117.46 120.66 4trx n PHE 41 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 4trx n PHE 41 Cb 0.03 -0.44 -0.13 0.00 -0.01 0.00 0.00 39.48 38.93 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 -0.68 0.24 0.00 1.38 3.57 -1.02 -3.24 116.94 117.18 4trx h PHE 42 Ca -0.14 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.19 4trx h PHE 42 Cb 0.90 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.63 4trx h PHE 42 CO -0.22 1.15 0.00 1.25 -2.23 0.00 0.00 178.31 178.25 4trx h HIS 43 N 0.04 0.00 0.00 0.41 2.76 0.06 -2.83 115.15 115.58 4trx h HIS 43 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 4trx h HIS 43 Cb 1.89 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.85 4trx h HIS 43 CO 0.03 0.00 -0.01 0.45 -1.30 0.00 0.00 177.93 177.10 4trx n SER 44 N -3.07 0.26 0.06 3.26 2.88 -1.22 -3.01 113.62 112.79 4trx n SER 44 Ca 0.03 0.51 0.09 0.00 -1.33 0.00 0.00 58.87 58.17 4trx n SER 44 Cb 0.43 -0.58 0.39 0.00 -0.75 0.00 0.00 64.21 63.70 4trx n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 4trx n LEU 45 N -1.74 0.29 -0.28 2.46 4.77 -1.07 -2.91 117.00 118.53 4trx n LEU 45 Ca 0.07 0.57 0.22 0.00 -0.03 0.00 0.00 56.01 56.84 4trx n LEU 45 Cb 0.37 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.45 4trx n LEU 45 CO 0.28 -0.40 1.23 -1.28 -1.33 0.00 0.00 177.39 175.90 4trx h SER 46 N 0.00 0.39 0.02 -1.43 0.87 -1.74 -2.43 113.55 109.24 4trx h SER 46 Ca 0.00 0.06 -0.39 0.00 -1.23 0.00 0.00 61.79 60.22 4trx h SER 46 Cb 0.29 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 4trx h SER 46 CO 0.00 0.12 -2.34 -0.62 -0.53 0.00 0.00 176.83 173.46 4trx n GLU 47 N -4.53 0.65 -0.03 2.24 -0.58 -1.14 -4.60 120.64 112.65 4trx n GLU 47 Ca 0.22 0.22 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 4trx n GLU 47 Cb 0.81 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 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 -0.24 -0.04 -4.66 3.49 1.63 -1.51 -3.33 116.57 111.91 4trx h LYS 48 Ca -0.57 0.00 -0.71 0.00 -0.85 0.00 0.00 60.65 58.53 4trx h LYS 48 Cb 1.83 0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 33.27 4trx h LYS 48 CO -0.13 -0.03 -0.26 0.71 -3.45 0.00 0.00 179.45 176.29 4trx s TYR 49 N -3.41 3.19 -1.97 1.91 2.02 -0.95 -4.89 117.35 113.25 4trx s TYR 49 Ca -0.02 -0.57 0.26 0.00 -0.37 0.00 0.00 57.07 56.37 4trx s TYR 49 Cb 0.01 -2.96 0.67 0.00 -0.40 0.00 0.00 41.96 39.28 4trx s TYR 49 CO 0.10 -0.74 1.51 -1.13 -1.57 0.00 0.00 175.55 173.72 4trx n SER 50 N 5.47 1.33 -0.66 2.29 3.41 -1.25 -3.73 113.62 120.48 4trx n SER 50 Ca -0.09 -1.13 0.09 0.00 -0.26 0.00 0.00 58.87 57.48 4trx n SER 50 Cb 0.46 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.34 2.36 -4.48 4.04 2.85 -1.26 -4.95 115.26 113.47 4trx n ASN 51 Ca 0.13 -1.68 -0.30 0.00 -0.11 0.00 0.00 54.58 52.62 4trx n ASN 51 Cb 0.38 0.12 -0.12 0.00 1.24 0.00 0.00 39.78 41.39 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 -1.68 2.83 -0.04 3.44 1.01 -1.24 -4.68 120.40 120.03 4trx s VAL 52 Ca 0.20 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 4trx s VAL 52 Cb 0.15 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 4trx s VAL 52 CO 0.29 0.21 0.11 -0.63 0.00 0.00 0.00 175.10 175.07 4trx s ILE 53 N -1.04 5.03 -0.05 2.22 1.09 -1.03 -4.19 121.20 123.24 4trx s ILE 53 Ca 0.16 -0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 4trx s ILE 53 Cb -0.11 -3.26 0.01 0.00 -1.06 0.00 0.00 42.46 38.04 4trx s ILE 53 CO 0.08 0.44 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.88 4trx s PHE 54 N -1.14 1.38 0.46 3.97 0.08 -1.25 -2.58 117.98 118.89 4trx s PHE 54 Ca 0.21 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.88 4trx s PHE 54 Cb -0.12 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 4trx s PHE 54 CO 0.11 -0.21 0.38 -0.51 -0.10 0.00 0.00 175.22 174.89 4trx s LEU 55 N 0.41 3.17 -0.20 -0.37 1.02 -0.38 -1.50 118.68 120.83 4trx s LEU 55 Ca -0.09 -0.92 -0.04 0.00 0.02 0.00 0.00 54.13 53.10 4trx s LEU 55 Cb -0.13 -1.74 0.10 0.00 0.02 0.00 0.00 46.19 44.45 4trx s LEU 55 CO 0.03 -0.78 0.31 -0.70 0.02 0.00 0.00 176.35 175.22 4trx s GLU 56 N -4.16 0.25 -0.03 1.70 -6.30 0.94 -2.69 118.70 108.41 4trx s GLU 56 Ca 0.44 0.51 0.01 0.00 -2.50 0.00 0.00 54.97 53.44 4trx s GLU 56 Cb -0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 34.13 33.51 4trx s GLU 56 CO 0.26 -0.54 -0.03 0.08 0.02 0.00 0.00 175.26 175.04 4trx s VAL 57 N 2.45 3.95 -0.28 3.70 1.01 -1.04 -2.21 120.40 127.98 4trx s VAL 57 Ca 0.07 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 4trx s VAL 57 Cb -0.15 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 4trx s VAL 57 CO -0.13 0.48 0.11 -0.62 0.00 0.00 0.00 175.10 174.93 4trx s ASP 58 N -1.21 5.32 0.00 3.32 2.15 -1.25 -2.25 116.67 122.74 4trx s ASP 58 Ca 0.16 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.78 4trx s ASP 58 Cb -0.11 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 4trx s ASP 58 CO 0.06 -0.11 1.16 1.33 -0.17 0.00 0.00 175.17 177.44 4trx n VAL 59 N 4.94 1.16 0.00 1.11 0.24 -0.86 -2.02 118.33 122.91 4trx n VAL 59 Ca -0.15 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 4trx n VAL 59 Cb 0.50 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 1.26 0.15 -1.11 -1.34 2.03 -1.26 -4.66 116.55 111.61 4trx n ASP 60 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 4trx n ASP 60 Cb 0.36 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.22 3.43 -1.46 1.67 2.03 -1.18 -4.36 116.55 114.46 4trx n ASP 61 Ca 0.00 -1.97 -0.01 0.00 0.52 0.00 0.00 54.79 53.33 4trx n ASP 61 Cb 0.05 -0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 40.17 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 0.70 0.00 -0.00 0.00 3.07 -1.76 0.36 115.11 117.47 4trx h GLN 63 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.30 4trx h GLN 63 Cb 1.62 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.17 4trx h GLN 63 CO -0.07 0.00 -0.32 0.38 0.09 0.00 0.00 178.83 178.91 4trx h ASP 64 N 0.00 0.01 0.12 0.06 2.03 -1.92 0.41 116.42 117.12 4trx h ASP 64 Ca 0.00 -0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 4trx h ASP 64 Cb 0.52 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 4trx h ASP 64 CO 0.00 0.33 -1.49 0.58 -1.03 0.00 0.00 179.24 177.63 4trx h VAL 65 N 0.01 0.98 0.00 4.15 2.07 -0.66 -3.25 116.25 119.55 4trx h VAL 65 Ca -0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 4trx h VAL 65 Cb 0.57 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 4trx h VAL 65 CO 0.04 0.72 -0.00 0.00 0.02 0.00 0.00 177.57 178.35 4trx h ALA 66 N -0.04 -0.00 0.00 1.67 0.00 -1.42 0.10 119.26 119.57 4trx h ALA 66 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 4trx h ALA 66 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 4trx h ALA 66 CO 0.06 -0.49 0.00 0.45 0.00 0.00 0.00 179.25 179.27 4trx n SER 67 N -5.08 0.22 0.09 0.00 2.88 0.12 -0.50 113.62 111.34 4trx n SER 67 Ca -0.07 0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 57.94 4trx n SER 67 Cb 0.04 -0.63 -0.12 0.00 -0.75 0.00 0.00 64.21 62.75 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 0.21 -0.01 -1.46 4.81 -0.83 -3.13 114.58 114.17 4trx h GLU 68 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 4trx h GLU 68 Cb 0.01 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.51 4trx h GLU 68 CO 0.00 1.14 -0.09 0.00 -0.73 0.00 0.00 179.01 179.33 4trx n GLU 70 N 0.08 -6.57 -2.12 0.00 1.02 -0.81 -4.97 120.64 107.28 4trx n GLU 70 Ca 0.16 0.79 -0.32 0.00 -0.02 0.00 0.00 57.16 57.77 4trx n GLU 70 Cb 0.38 -5.73 -0.00 0.00 -0.02 0.00 0.00 31.44 26.07 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 4trx s VAL 71 N -3.40 4.23 0.00 2.62 1.01 -1.22 -4.97 120.40 118.67 4trx s VAL 71 Ca 0.17 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.23 4trx s VAL 71 Cb -0.08 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.88 4trx s VAL 71 CO 0.75 -0.69 1.00 0.29 0.00 0.00 0.00 175.10 176.45 4trx n LYS 72 N -2.04 0.00 -3.27 2.72 5.02 -1.26 -4.94 118.16 114.38 4trx n LYS 72 Ca 0.07 -1.23 0.04 0.00 -2.02 0.00 0.00 58.31 55.17 4trx n LYS 72 Cb 0.54 -0.17 -0.04 0.00 -0.02 0.00 0.00 35.03 35.33 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 4trx s THR 74 N 1.76 4.58 0.62 0.00 -4.23 -1.26 -4.12 115.64 112.98 4trx s THR 74 Ca -0.01 -0.95 -0.13 0.00 -1.18 0.00 0.00 61.69 59.42 4trx s THR 74 Cb -0.01 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 4trx s THR 74 CO -0.14 -0.04 1.04 -2.16 -0.54 0.00 0.00 174.62 172.78 4trx s PRO 75 N -2.90 3.40 -0.10 3.99 0.04 -1.26 -4.90 135.00 133.28 4trx s PRO 75 Ca 0.31 0.92 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 4trx s PRO 75 Cb -0.11 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.42 4trx s PRO 75 CO 0.23 -0.73 0.03 0.99 0.04 0.00 0.00 177.00 177.56 4trx s THR 76 N -2.93 0.26 -0.09 1.26 2.01 -0.20 -2.65 115.64 113.31 4trx s THR 76 Ca 0.58 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 4trx s THR 76 Cb -0.13 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 4trx s THR 76 CO 0.48 0.12 0.40 -0.36 -0.69 0.00 0.00 174.62 174.57 4trx s PHE 77 N 2.01 3.57 0.13 4.92 0.08 -0.91 -1.25 117.98 126.52 4trx s PHE 77 Ca 0.04 0.85 0.08 0.00 0.12 0.00 0.00 56.93 58.02 4trx s PHE 77 Cb -0.13 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 4trx s PHE 77 CO -0.06 0.35 -0.20 -0.65 -0.10 0.00 0.00 175.22 174.57 4trx s GLN 78 N 0.00 1.19 -0.14 0.44 -0.21 -0.58 -1.66 119.66 118.69 4trx s GLN 78 Ca 0.23 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.34 4trx s GLN 78 Cb -0.15 -1.36 -0.01 0.00 1.00 0.00 0.00 33.01 32.50 4trx s GLN 78 CO 0.10 0.30 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.36 4trx s PHE 79 N -1.57 2.78 0.03 0.91 0.40 0.13 -0.83 117.98 119.83 4trx s PHE 79 Ca 0.11 -0.87 0.06 0.00 -0.60 0.00 0.00 56.93 55.63 4trx s PHE 79 Cb -0.08 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 4trx s PHE 79 CO 0.05 -0.36 -0.19 -0.06 0.70 0.00 0.00 175.22 175.37 4trx s PHE 80 N 0.61 1.63 -0.11 0.36 0.08 0.12 -1.71 117.98 118.96 4trx s PHE 80 Ca -0.08 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 4trx s PHE 80 Cb -0.16 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 4trx s PHE 80 CO 0.03 0.05 0.29 0.21 -0.10 0.00 0.00 175.22 175.70 4trx s LYS 81 N -0.97 0.32 0.00 0.44 2.20 -0.89 -1.52 119.74 119.32 4trx s LYS 81 Ca 0.06 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 4trx s LYS 81 Cb -0.08 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 4trx s LYS 81 CO 0.01 -0.07 0.00 1.63 -0.36 0.00 0.00 175.35 176.56 4trx n LYS 82 N 3.20 -1.23 -0.23 4.03 5.02 -1.26 -0.42 118.16 127.27 4trx n LYS 82 Ca -0.15 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 4trx n LYS 82 Cb 0.57 -3.95 0.00 0.00 -0.02 0.00 0.00 35.03 31.63 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 0.00 1.64 3.35 0.72 0.00 -1.26 -5.05 105.19 104.59 4trx n GLY 83 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 4trx n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 4trx s GLN 84 N -1.15 0.44 0.41 1.61 -2.07 0.44 -5.14 119.66 114.20 4trx s GLN 84 Ca 0.00 0.96 -0.26 0.00 -1.82 0.00 0.00 55.36 54.24 4trx s GLN 84 Cb 0.00 0.13 -0.10 0.00 -1.09 0.00 0.00 33.01 31.95 4trx s GLN 84 CO 0.00 -0.18 1.31 1.17 -1.32 0.00 0.00 175.29 176.27 4trx n LYS 85 N 4.59 2.05 0.00 9.60 4.81 -1.26 -2.10 118.16 135.85 4trx n LYS 85 Ca -0.19 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 4trx n LYS 85 Cb 0.54 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.17 4trx n LYS 85 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 4trx n VAL 86 N -0.07 0.00 -3.79 3.15 0.24 -0.69 -4.90 118.33 112.27 4trx n VAL 86 Ca 0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.25 4trx n VAL 86 Cb 0.39 -0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.98 -0.05 -0.29 7.63 0.00 -1.23 -5.02 107.32 107.37 4trx s GLY 87 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 44.72 44.40 4trx s GLY 87 CO 0.00 -0.37 0.94 -1.83 0.00 0.00 0.00 173.10 171.84 4trx s GLU 88 N -2.82 0.38 -0.08 2.90 1.03 -1.26 0.19 118.70 119.04 4trx s GLU 88 Ca -0.03 0.77 -0.05 0.00 0.03 0.00 0.00 54.97 55.69 4trx s GLU 88 Cb 0.00 0.27 0.03 0.00 -0.80 0.00 0.00 34.13 33.64 4trx s GLU 88 CO -0.05 -0.10 0.19 -0.59 -1.33 0.00 0.00 175.26 173.38 4trx s PHE 89 N 1.89 -0.23 0.52 4.83 -0.12 -0.67 -5.02 117.98 119.19 4trx s PHE 89 Ca -0.06 0.58 0.04 0.00 -0.05 0.00 0.00 56.93 57.43 4trx s PHE 89 Cb -0.05 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.37 4trx s PHE 89 CO -0.16 -0.16 0.25 -1.54 -0.05 0.00 0.00 175.22 173.55 4trx s SER 90 N 0.77 4.44 0.00 1.98 1.04 -1.26 -2.15 113.70 118.51 4trx s SER 90 Ca -0.06 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 54.99 4trx s SER 90 Cb -0.07 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.45 4trx s SER 90 CO -0.04 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.81 4trx n GLY 91 N -1.55 2.97 3.57 7.32 0.00 -1.08 -4.85 105.19 111.56 4trx n GLY 91 Ca -0.08 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 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 0.50 0.30 -3.46 4.61 0.00 -1.26 -4.73 120.51 116.47 4trx n ALA 92 Ca 0.00 -2.31 -0.17 0.00 0.00 0.00 0.00 53.44 50.95 4trx n ALA 92 Cb 0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 19.45 15.92 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 8.30 1.39 -0.21 0.00 3.04 -1.26 -5.01 114.94 121.18 4trx s ASN 93 Ca 0.80 -0.33 -0.01 0.00 0.04 0.00 0.00 52.86 53.36 4trx s ASN 93 Cb -0.02 0.47 -0.13 0.00 -1.54 0.00 0.00 41.25 40.04 4trx s ASN 93 CO 0.22 -0.34 -0.20 2.29 -3.04 0.00 0.00 177.10 176.02 4trx n LYS 94 N 5.32 0.51 0.05 0.43 0.00 -1.26 -4.33 118.16 118.88 4trx n LYS 94 Ca -0.05 0.14 0.03 0.00 -0.00 0.00 0.00 58.31 58.43 4trx n LYS 94 Cb 0.49 -1.39 0.14 0.00 -0.00 0.00 0.00 35.03 34.27 4trx n LYS 94 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 4trx n GLU 95 N -3.28 0.03 0.04 -1.58 -0.00 -1.26 0.06 120.64 114.66 4trx n GLU 95 Ca -0.38 0.45 -0.11 0.00 -0.00 0.00 0.00 57.16 57.11 4trx n GLU 95 Cb 0.87 -1.76 -0.13 0.00 -0.00 0.00 0.00 31.44 30.42 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 4trx h LYS 96 N 0.00 0.09 -1.38 3.44 3.64 -2.00 -3.30 116.57 117.06 4trx h LYS 96 Ca 0.00 -0.16 0.40 0.00 -1.27 0.00 0.00 60.65 59.63 4trx h LYS 96 Cb 0.29 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 4trx h LYS 96 CO 0.00 0.89 0.98 -0.07 -2.27 0.00 0.00 179.45 178.98 4trx h LEU 97 N 0.03 0.08 0.16 5.20 3.38 -0.59 -1.37 115.31 122.19 4trx h LEU 97 Ca -0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 4trx h LEU 97 Cb 1.93 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 4trx h LEU 97 CO 0.13 -0.01 -0.10 -0.08 0.09 0.00 0.00 178.44 178.46 4trx h GLU 98 N 0.05 -0.23 0.24 1.13 4.81 -1.70 0.32 114.58 119.20 4trx h GLU 98 Ca 0.69 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.95 4trx h GLU 98 Cb 2.60 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 31.99 4trx h GLU 98 CO -0.09 -0.16 -0.48 0.00 -0.73 0.00 0.00 179.01 177.56 4trx h ALA 99 N -1.73 -0.94 -0.80 2.92 0.00 -1.50 -0.19 119.26 117.02 4trx h ALA 99 Ca -0.02 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.96 4trx h ALA 99 Cb 0.20 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 4trx h ALA 99 CO 0.02 -1.09 0.10 1.15 0.00 0.00 0.00 179.25 179.43 4trx h THR 100 N -0.79 0.34 -0.86 0.00 2.02 -1.40 1.09 112.91 113.31 4trx h THR 100 Ca -0.01 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.14 4trx h THR 100 Cb 0.76 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 4trx h THR 100 CO -0.20 0.03 0.57 0.40 0.37 0.00 0.00 175.52 176.68 4trx h ILE 101 N 0.16 1.16 0.00 3.11 2.04 0.63 0.56 117.51 125.16 4trx h ILE 101 Ca 0.47 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.95 4trx h ILE 101 Cb 0.87 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 4trx h ILE 101 CO -0.65 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 174.50 4trx n ASN 102 N -4.44 0.58 -0.04 1.72 2.85 0.37 0.49 115.26 116.79 4trx n ASN 102 Ca 0.11 0.73 -0.14 0.00 -0.11 0.00 0.00 54.58 55.17 4trx n ASN 102 Cb 0.09 -0.82 -0.11 0.00 1.24 0.00 0.00 39.78 40.18 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 0.08 -0.32 1.20 4.57 0.12 -3.35 114.58 116.87 4trx h GLU 103 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 4trx h GLU 103 Cb 0.11 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 4trx h GLU 103 CO 0.00 0.78 0.00 1.28 -1.18 0.00 0.00 179.01 179.89 4trx n LEU 104 N -4.66 3.06 0.00 1.64 4.77 -0.92 -5.13 117.00 115.76 4trx n LEU 104 Ca -0.09 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 4trx n LEU 104 Cb 0.40 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 4trx n LEU 104 CO 0.36 0.72 0.11 0.55 -1.33 0.00 0.00 177.39 177.79