#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 2.07 -4.07 2.03 0.31 -1.26 -4.24 118.33 113.17 4trx n VAL 2 Ca 0.00 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 4trx n VAL 2 Cb 0.00 -1.57 -0.11 0.00 -0.91 0.00 0.00 33.84 31.25 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 -1.92 0.57 -0.08 5.55 2.20 -0.66 -4.96 119.74 120.43 4trx s LYS 3 Ca 0.56 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 4trx s LYS 3 Cb -0.56 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 35.67 4trx s LYS 3 CO 0.62 -0.03 -0.02 -1.14 -0.36 0.00 0.00 175.35 174.42 4trx s GLN 4 N -2.62 2.91 0.38 4.03 0.74 -1.26 0.43 119.66 124.27 4trx s GLN 4 Ca -0.02 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 4trx s GLN 4 Cb -0.02 -2.74 0.08 0.00 1.10 0.00 0.00 33.01 31.43 4trx s GLN 4 CO -0.04 0.69 0.52 -0.89 -0.55 0.00 0.00 175.29 175.03 4trx n ILE 5 N 2.15 0.00 0.04 -2.34 2.08 -1.19 -4.94 119.36 115.15 4trx n ILE 5 Ca -0.18 -0.73 0.00 0.00 0.56 0.00 0.00 62.75 62.39 4trx n ILE 5 Cb 0.53 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 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 -1.99 0.00 -1.20 0.38 1.02 -1.26 -4.87 120.64 112.72 4trx n GLU 6 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 4trx n GLU 6 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 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 -2.75 0.00 -0.00 1.62 3.41 -1.26 -4.47 113.62 110.16 4trx n SER 7 Ca 0.00 -0.65 -0.17 0.00 -0.26 0.00 0.00 58.87 57.79 4trx n SER 7 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.42 -0.89 4.33 3.64 -1.96 -1.96 116.57 120.15 4trx h LYS 8 Ca 0.00 -0.42 0.16 0.00 -1.27 0.00 0.00 60.65 59.12 4trx h LYS 8 Cb 0.00 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 4trx h LYS 8 CO 0.00 1.08 0.57 1.15 -2.27 0.00 0.00 179.45 179.99 4trx h THR 9 N -0.08 0.79 0.04 1.00 2.02 -2.01 -1.87 112.91 112.80 4trx h THR 9 Ca -0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 4trx h THR 9 Cb 1.27 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 4trx h THR 9 CO 0.11 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.09 4trx h ALA 10 N 1.61 -0.05 -1.58 6.16 0.00 -1.96 -3.16 119.26 120.28 4trx h ALA 10 Ca 0.45 -0.33 0.46 0.00 0.00 0.00 0.00 54.91 55.49 4trx h ALA 10 Cb 0.85 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 4trx h ALA 10 CO -0.20 -0.15 1.19 0.35 0.00 0.00 0.00 179.25 180.44 4trx h PHE 11 N -0.81 0.00 0.01 0.00 3.57 -0.56 1.32 116.94 120.47 4trx h PHE 11 Ca -0.01 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 4trx h PHE 11 Cb 0.68 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.43 4trx h PHE 11 CO 0.16 0.00 -1.03 1.96 -2.23 0.00 0.00 178.31 177.17 4trx h GLN 12 N 0.00 0.59 -0.50 1.11 1.08 -1.40 -3.21 115.11 112.78 4trx h GLN 12 Ca 0.75 -0.65 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 4trx h GLN 12 Cb 3.12 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 30.72 4trx h GLN 12 CO -0.01 1.25 0.05 0.93 -0.95 0.00 0.00 178.83 180.11 4trx h GLU 13 N 0.32 0.84 -0.31 1.46 4.39 0.17 -2.22 114.58 119.24 4trx h GLU 13 Ca -0.12 -0.24 0.06 0.00 0.34 0.00 0.00 59.36 59.40 4trx h GLU 13 Cb 1.68 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 30.18 4trx h GLU 13 CO 0.19 0.85 -0.06 0.00 -1.16 0.00 0.00 179.01 178.84 4trx h ALA 14 N 0.96 0.22 0.00 3.43 0.00 -1.40 0.72 119.26 123.19 4trx h ALA 14 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 4trx h ALA 14 Cb 0.44 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.43 4trx h ALA 14 CO 0.01 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.10 4trx n LEU 15 N -5.23 0.38 -0.00 0.00 4.77 -1.15 -0.74 117.00 115.03 4trx n LEU 15 Ca 0.00 0.60 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 4trx n LEU 15 Cb 0.17 -0.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 4trx n LEU 15 CO 0.20 -0.47 -0.59 -0.67 -1.33 0.00 0.00 177.39 174.53 4trx n ASP 16 N -1.93 0.43 -0.96 -1.43 -0.08 0.12 -4.06 116.55 108.64 4trx n ASP 16 Ca 0.02 0.18 0.09 0.00 -1.51 0.00 0.00 54.79 53.58 4trx n ASP 16 Cb 0.18 0.88 0.19 0.00 2.34 0.00 0.00 41.12 44.71 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 -2.42 2.37 0.09 -1.67 0.00 0.21 -4.28 120.51 114.81 4trx n ALA 17 Ca -0.13 -1.01 0.05 0.00 0.00 0.00 0.00 53.44 52.35 4trx n ALA 17 Cb 0.81 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 4trx n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4trx h ALA 18 N 3.54 0.65 0.00 0.00 0.00 -1.08 -3.50 119.26 118.89 4trx h ALA 18 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 4trx h ALA 18 Cb 0.85 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 4trx h ALA 18 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 4trx n GLY 19 N 1.27 1.42 0.00 0.00 0.00 -1.26 -4.24 105.19 102.38 4trx n GLY 19 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 4.67 0.00 -4.27 1.61 8.00 -1.26 -4.30 116.55 121.00 4trx n ASP 20 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 4trx n ASP 20 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 4trx n LYS 21 N -0.38 0.11 -1.53 -1.24 4.01 -1.26 -4.40 118.16 113.47 4trx n LYS 21 Ca 0.00 0.05 -0.49 0.00 -0.51 0.00 0.00 58.31 57.37 4trx n LYS 21 Cb 0.00 -1.28 -0.04 0.00 -0.51 0.00 0.00 35.03 33.21 4trx n LYS 21 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 4trx n LEU 22 N 1.80 0.71 -3.91 -0.35 7.99 -1.26 -4.73 117.00 117.24 4trx n LEU 22 Ca 0.06 1.15 -0.30 0.00 -0.01 0.00 0.00 56.01 56.91 4trx n LEU 22 Cb 0.50 -1.13 -0.14 0.00 -0.11 0.00 0.00 43.42 42.53 4trx n LEU 22 CO 0.53 -1.83 -0.28 -0.69 -1.51 0.00 0.00 177.39 173.61 4trx s VAL 23 N -0.61 2.00 -0.26 4.08 1.01 -0.89 -1.81 120.40 123.92 4trx s VAL 23 Ca 0.69 -2.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.09 4trx s VAL 23 Cb -0.88 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 4trx s VAL 23 CO 0.56 -0.71 0.16 -0.69 0.00 0.00 0.00 175.10 174.42 4trx s VAL 24 N 0.62 5.15 0.26 2.92 1.01 -1.01 -0.46 120.40 128.89 4trx s VAL 24 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 4trx s VAL 24 Cb -0.21 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 4trx s VAL 24 CO -0.08 0.29 0.46 -0.69 0.00 0.00 0.00 175.10 175.09 4trx s VAL 25 N 1.56 5.14 -0.57 2.92 1.01 0.42 -2.65 120.40 128.23 4trx s VAL 25 Ca 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.77 4trx s VAL 25 Cb -0.15 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.61 4trx s VAL 25 CO 0.08 -0.30 0.35 -0.62 0.00 0.00 0.00 175.10 174.61 4trx s ASP 26 N -3.40 4.14 -0.81 3.32 2.15 -0.73 -1.95 116.67 119.40 4trx s ASP 26 Ca 0.40 -3.26 -0.25 0.00 0.43 0.00 0.00 52.55 49.86 4trx s ASP 26 Cb -0.10 -1.42 0.00 0.00 -0.30 0.00 0.00 42.92 41.10 4trx s ASP 26 CO 0.31 -0.18 1.63 -0.36 -0.17 0.00 0.00 175.17 176.40 4trx s PHE 27 N -0.58 2.06 0.33 -5.34 0.08 -0.21 -2.46 117.98 111.86 4trx s PHE 27 Ca 0.21 0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.40 4trx s PHE 27 Cb -0.15 -4.36 0.01 0.00 -0.57 0.00 0.00 43.02 37.95 4trx s PHE 27 CO -0.08 -2.03 0.46 -1.13 -0.10 0.00 0.00 175.22 172.34 4trx n SER 28 N 11.26 -1.28 -4.78 1.36 3.41 -1.03 -0.83 113.62 121.72 4trx n SER 28 Ca 0.23 -2.77 -0.36 0.00 -0.26 0.00 0.00 58.87 55.71 4trx n SER 28 Cb 0.50 2.39 -0.07 0.00 -0.26 0.00 0.00 64.21 66.77 4trx n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4trx s ALA 29 N -2.70 3.67 -0.04 7.33 0.00 -1.26 -2.31 121.76 126.46 4trx s ALA 29 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.55 4trx s ALA 29 Cb -0.01 -1.90 -0.26 0.00 0.00 0.00 0.00 23.12 20.95 4trx s ALA 29 CO 0.19 0.48 0.69 0.00 0.00 0.00 0.00 175.76 177.12 4trx h THR 30 N 4.25 0.95 -0.07 0.00 1.03 -1.92 -3.33 112.91 113.81 4trx h THR 30 Ca -0.49 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 63.22 4trx h THR 30 Cb 1.20 2.60 -0.00 0.00 -1.07 0.00 0.00 68.15 70.88 4trx h THR 30 CO 0.62 0.75 -0.01 4.11 -0.01 0.00 0.00 175.52 180.97 4trx h TRP 31 N 0.05 0.15 -3.33 0.00 5.08 -1.99 -3.44 115.95 112.46 4trx h TRP 31 Ca -0.29 -0.03 -0.57 0.00 1.08 0.00 0.00 58.89 59.07 4trx h TRP 31 Cb 2.01 -0.04 0.14 0.00 -3.00 0.00 0.00 29.16 28.28 4trx h TRP 31 CO 0.05 0.45 0.18 0.00 -1.28 0.00 0.00 178.44 177.84 4trx h GLY 33 N 1.17 -0.12 0.01 0.00 0.00 -1.89 -3.04 103.07 99.20 4trx h GLY 33 Ca -0.47 0.04 0.29 0.00 0.00 0.00 0.00 47.33 47.20 4trx h GLY 33 CO 0.55 -0.04 0.72 -2.55 0.00 0.00 0.00 176.54 175.21 4trx h PRO 34 N -0.53 0.00 -0.03 4.80 0.11 -1.95 1.00 132.00 135.39 4trx h PRO 34 Ca -0.01 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 4trx h PRO 34 Cb 0.09 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 4trx h PRO 34 CO 0.02 0.00 -0.76 0.00 -0.21 0.00 0.00 178.00 177.05 4trx n LYS 36 N -3.75 0.93 0.03 0.00 4.81 0.21 -3.95 118.16 116.44 4trx n LYS 36 Ca -0.03 -0.70 0.07 0.00 -0.87 0.00 0.00 58.31 56.78 4trx n LYS 36 Cb 0.73 -1.49 0.31 0.00 0.02 0.00 0.00 35.03 34.60 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 -0.43 0.04 -0.09 1.64 1.56 0.28 -1.40 117.12 118.73 4trx n MET 37 Ca 0.10 0.34 0.12 0.00 -0.27 0.00 0.00 57.70 57.99 4trx n MET 37 Cb 0.41 -1.59 0.17 0.00 2.15 0.00 0.00 33.22 34.36 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 -1.68 0.23 0.09 1.12 2.08 -1.25 -4.52 119.36 115.43 4trx n ILE 38 Ca 0.02 -0.60 -0.12 0.00 0.56 0.00 0.00 62.75 62.62 4trx n ILE 38 Cb 0.15 1.21 -0.06 0.00 -0.75 0.00 0.00 39.64 40.19 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 4.47 -0.25 0.00 0.38 1.57 -1.48 -1.75 116.57 119.51 4trx h LYS 39 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 4trx h LYS 39 Cb 0.97 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.33 4trx h LYS 39 CO 0.00 -0.17 0.09 -2.30 -0.57 0.00 0.00 179.45 176.51 4trx n PRO 40 N -5.25 0.00 -0.10 3.15 -0.02 -1.26 0.65 135.00 132.18 4trx n PRO 40 Ca -0.07 0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 4trx n PRO 40 Cb 0.17 -1.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.05 6.00 3.01 -0.70 -4.11 117.46 120.58 4trx n PHE 41 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 4trx n PHE 41 Cb 0.09 -0.69 -0.14 0.00 -0.01 0.00 0.00 39.48 38.73 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 -0.56 0.38 0.00 1.38 3.57 -0.80 -3.31 116.94 117.60 4trx h PHE 42 Ca -0.48 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 60.75 4trx h PHE 42 Cb 1.47 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.19 4trx h PHE 42 CO -0.05 1.33 -0.08 1.58 -2.23 0.00 0.00 178.31 178.87 4trx n HIS 43 N -3.41 0.52 0.97 0.41 -0.00 0.21 -3.05 115.22 110.87 4trx n HIS 43 Ca -0.16 0.15 0.13 0.00 0.46 0.00 0.00 57.72 58.30 4trx n HIS 43 Cb 1.04 -0.72 0.43 0.00 -0.12 0.00 0.00 29.99 30.61 4trx n HIS 43 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 4trx n SER 44 N -1.94 0.28 0.00 0.26 3.41 -1.22 -3.28 113.62 111.13 4trx n SER 44 Ca 0.06 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 4trx n SER 44 Cb 0.39 -0.16 0.56 0.00 -0.26 0.00 0.00 64.21 64.75 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 -1.56 0.00 0.06 1.04 4.77 -1.17 -3.14 117.00 117.00 4trx n LEU 45 Ca 0.06 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 4trx n LEU 45 Cb 0.35 -0.49 0.28 0.00 -2.33 0.00 0.00 43.42 41.23 4trx n LEU 45 CO 0.31 -0.05 0.68 -0.24 -1.33 0.00 0.00 177.39 176.75 4trx n SER 46 N -1.49 0.25 -0.07 -1.43 2.88 -1.21 -1.77 113.62 110.78 4trx n SER 46 Ca 0.07 0.60 -0.14 0.00 -1.33 0.00 0.00 58.87 58.06 4trx n SER 46 Cb 0.30 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.06 4trx n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 4trx n GLU 47 N -1.81 0.33 0.18 -1.46 -0.58 -1.19 -4.31 120.64 111.80 4trx n GLU 47 Ca 0.00 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.79 4trx n GLU 47 Cb 0.06 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.35 -0.47 -5.61 3.49 3.64 -1.65 -3.36 116.57 112.26 4trx h LYS 48 Ca -0.36 0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.39 4trx h LYS 48 Cb 1.39 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.19 4trx h LYS 48 CO -0.17 -0.31 1.54 0.71 -2.27 0.00 0.00 179.45 178.95 4trx s TYR 49 N -3.41 2.87 -1.64 1.91 1.51 -0.73 -4.72 117.35 113.15 4trx s TYR 49 Ca -0.07 -1.37 0.27 0.00 -1.01 0.00 0.00 57.07 54.89 4trx s TYR 49 Cb 0.01 -4.57 0.89 0.00 -0.11 0.00 0.00 41.96 38.17 4trx s TYR 49 CO 0.21 -1.73 1.65 -1.13 -1.11 0.00 0.00 175.55 173.45 4trx n SER 50 N 7.78 0.78 0.10 2.29 3.41 -1.26 -3.60 113.62 123.13 4trx n SER 50 Ca 0.36 -0.70 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 4trx n SER 50 Cb 0.48 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 4trx n SER 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 4trx h ASN 51 N 0.88 0.00 -3.02 4.04 -1.24 -1.95 -3.46 115.58 110.82 4trx h ASN 51 Ca 0.00 -0.03 -0.62 0.00 0.71 0.00 0.00 56.30 56.35 4trx h ASN 51 Cb 0.46 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.45 4trx h ASN 51 CO 0.00 0.02 -0.55 -0.69 -1.29 0.00 0.00 177.43 174.92 4trx s VAL 52 N -3.33 4.95 -0.14 2.57 1.01 -1.24 -4.65 120.40 119.57 4trx s VAL 52 Ca 0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 4trx s VAL 52 Cb 0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 4trx s VAL 52 CO 0.78 0.12 0.12 -0.63 0.00 0.00 0.00 175.10 175.49 4trx s ILE 53 N -1.47 5.34 0.03 2.22 1.01 -0.75 -4.31 121.20 123.27 4trx s ILE 53 Ca 0.32 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.21 4trx s ILE 53 Cb -0.12 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 4trx s ILE 53 CO 0.25 0.56 -0.25 -0.36 0.00 0.00 0.00 174.94 175.14 4trx s PHE 54 N -0.55 2.19 0.12 3.97 0.08 -1.26 -2.42 117.98 120.11 4trx s PHE 54 Ca 0.12 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.80 4trx s PHE 54 Cb -0.12 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 4trx s PHE 54 CO 0.02 0.08 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.62 4trx s LEU 55 N -1.07 2.47 -0.16 -0.37 1.02 -1.09 -1.66 118.68 117.82 4trx s LEU 55 Ca 0.10 -0.92 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 4trx s LEU 55 Cb -0.10 -0.28 0.05 0.00 0.02 0.00 0.00 46.19 45.88 4trx s LEU 55 CO 0.01 -0.32 0.02 -0.70 0.02 0.00 0.00 176.35 175.38 4trx s GLU 56 N -3.32 0.74 -0.15 1.70 2.12 0.17 -1.77 118.70 118.20 4trx s GLU 56 Ca 0.11 -0.31 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 4trx s GLU 56 Cb 0.00 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.52 4trx s GLU 56 CO -0.01 -0.54 0.16 0.08 -0.54 0.00 0.00 175.26 174.42 4trx s VAL 57 N 1.86 5.43 -0.43 3.70 1.01 -1.03 -3.16 120.40 127.78 4trx s VAL 57 Ca 0.01 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 4trx s VAL 57 Cb -0.16 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.79 4trx s VAL 57 CO -0.07 0.52 0.51 -0.62 0.00 0.00 0.00 175.10 175.44 4trx s ASP 58 N -0.32 6.24 0.00 3.32 -1.08 -1.26 -2.47 116.67 121.10 4trx s ASP 58 Ca 0.12 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 4trx s ASP 58 Cb -0.12 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 4trx s ASP 58 CO 0.02 -0.67 0.44 1.33 0.52 0.00 0.00 175.17 176.81 4trx n VAL 59 N 5.57 0.00 -0.13 1.11 0.24 -0.98 -0.95 118.33 123.20 4trx n VAL 59 Ca -0.06 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 4trx n VAL 59 Cb 0.47 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.39 1.93 -0.01 -1.34 2.03 -1.26 -4.28 116.55 113.22 4trx n ASP 60 Ca 0.00 0.36 0.09 0.00 0.52 0.00 0.00 54.79 55.76 4trx n ASP 60 Cb 0.02 -0.84 -0.16 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 -4.32 0.39 -2.26 1.67 2.03 -1.16 -4.43 116.55 108.47 4trx n ASP 61 Ca -0.45 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.57 4trx n ASP 61 Cb 0.79 1.86 0.04 0.00 -0.72 0.00 0.00 41.12 43.09 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 2.24 0.00 -0.10 0.00 3.07 -1.75 -1.18 115.11 117.39 4trx h GLN 63 Ca 0.46 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.09 4trx h GLN 63 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.63 4trx h GLN 63 CO 1.12 0.00 -0.42 0.38 0.09 0.00 0.00 178.83 180.00 4trx h ASP 64 N 0.00 0.24 0.85 0.06 2.03 -1.93 -1.59 116.42 116.08 4trx h ASP 64 Ca 0.00 -0.10 -0.24 0.00 -0.73 0.00 0.00 57.03 55.96 4trx h ASP 64 Cb 0.07 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 4trx h ASP 64 CO 0.00 0.64 -1.10 0.58 -1.03 0.00 0.00 179.24 178.33 4trx h VAL 65 N 0.19 1.63 -0.32 4.15 2.07 -1.56 -3.16 116.25 119.26 4trx h VAL 65 Ca 0.02 -3.28 -0.17 0.00 0.82 0.00 0.00 66.70 64.08 4trx h VAL 65 Cb 0.83 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 4trx h VAL 65 CO 0.07 0.94 -0.49 0.00 0.02 0.00 0.00 177.57 178.11 4trx h ALA 66 N 0.84 0.53 0.00 1.67 0.00 -1.42 -2.50 119.26 118.37 4trx h ALA 66 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.36 4trx h ALA 66 Cb 1.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.55 4trx h ALA 66 CO 0.16 0.68 0.00 0.45 0.00 0.00 0.00 179.25 180.54 4trx n SER 67 N -4.02 0.00 -0.02 0.00 2.88 -0.61 -2.10 113.62 109.74 4trx n SER 67 Ca -0.03 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 4trx n SER 67 Cb 0.60 -0.31 -0.14 0.00 -0.75 0.00 0.00 64.21 63.60 4trx n SER 67 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 4trx n GLU 68 N -1.31 0.64 0.00 -1.46 4.07 -0.95 -3.74 120.64 117.89 4trx n GLU 68 Ca 0.07 0.29 0.13 0.00 -0.06 0.00 0.00 57.16 57.60 4trx n GLU 68 Cb 0.14 -1.78 0.45 0.00 -0.06 0.00 0.00 31.44 30.18 4trx n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4trx n GLU 70 N -1.28 -6.73 -0.99 0.00 4.07 -1.01 -4.97 120.64 109.72 4trx n GLU 70 Ca 0.09 0.79 -0.29 0.00 -0.06 0.00 0.00 57.16 57.68 4trx n GLU 70 Cb 0.32 -5.67 0.17 0.00 -0.06 0.00 0.00 31.44 26.20 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 4trx s VAL 71 N -3.32 2.39 0.00 6.31 1.01 -1.21 -4.97 120.40 120.60 4trx s VAL 71 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.32 4trx s VAL 71 Cb -0.10 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.82 4trx s VAL 71 CO 0.69 -0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.91 4trx n LYS 72 N -4.18 4.41 0.00 2.72 5.02 -1.26 -5.03 118.16 119.84 4trx n LYS 72 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 4trx n LYS 72 Cb 0.55 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 -0.73 5.18 0.41 0.00 -4.23 -1.26 -4.01 115.64 111.00 4trx s THR 74 Ca 0.00 -0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 59.99 4trx s THR 74 Cb 0.00 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 4trx s THR 74 CO 0.00 -0.19 0.97 -2.16 -0.54 0.00 0.00 174.62 172.71 4trx s PRO 75 N -3.33 4.25 -0.11 3.99 0.04 -1.26 -4.95 135.00 133.63 4trx s PRO 75 Ca 0.39 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 4trx s PRO 75 Cb -0.11 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.10 4trx s PRO 75 CO 0.29 -0.02 -0.08 0.99 0.04 0.00 0.00 177.00 178.21 4trx s THR 76 N -1.97 1.05 -0.12 1.26 2.01 -0.01 -2.76 115.64 115.11 4trx s THR 76 Ca 0.60 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 4trx s THR 76 Cb -0.14 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 4trx s THR 76 CO 0.18 0.37 0.43 -0.36 -0.69 0.00 0.00 174.62 174.55 4trx s PHE 77 N 1.58 3.52 0.13 4.92 0.08 -1.01 -1.05 117.98 126.15 4trx s PHE 77 Ca 0.03 0.84 0.10 0.00 0.12 0.00 0.00 56.93 58.01 4trx s PHE 77 Cb -0.13 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 4trx s PHE 77 CO -0.07 0.22 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.40 4trx s GLN 78 N 0.46 1.61 -0.20 0.44 1.11 -0.82 -2.11 119.66 120.15 4trx s GLN 78 Ca 0.24 -1.28 0.01 0.00 0.01 0.00 0.00 55.36 54.34 4trx s GLN 78 Cb -0.15 -2.00 0.03 0.00 -1.01 0.00 0.00 33.01 29.88 4trx s GLN 78 CO 0.09 0.46 -0.17 -0.06 0.01 0.00 0.00 175.29 175.62 4trx s PHE 79 N -1.17 2.80 0.18 0.91 0.40 -0.28 -0.44 117.98 120.38 4trx s PHE 79 Ca 0.17 -1.75 0.11 0.00 -0.60 0.00 0.00 56.93 54.86 4trx s PHE 79 Cb -0.10 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 4trx s PHE 79 CO 0.09 -0.81 -0.24 -0.06 0.70 0.00 0.00 175.22 174.90 4trx s PHE 80 N 1.28 2.23 -0.05 0.36 0.08 0.39 -1.95 117.98 120.31 4trx s PHE 80 Ca 0.02 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 4trx s PHE 80 Cb -0.15 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 4trx s PHE 80 CO -0.11 0.45 0.05 0.21 -0.10 0.00 0.00 175.22 175.72 4trx s LYS 81 N -2.55 0.05 -0.04 0.44 2.20 0.05 -2.10 119.74 117.78 4trx s LYS 81 Ca 0.19 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 4trx s LYS 81 Cb -0.08 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 4trx s LYS 81 CO 0.09 -0.34 0.00 1.17 -0.36 0.00 0.00 175.35 175.90 4trx n LYS 82 N 5.27 -1.98 0.00 4.03 4.81 -1.26 -0.16 118.16 128.87 4trx n LYS 82 Ca -0.04 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 4trx n LYS 82 Cb 0.50 -4.11 0.00 0.00 0.02 0.00 0.00 35.03 31.44 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 4trx n GLY 83 N 0.61 1.55 2.78 3.14 0.00 -1.26 -4.93 105.19 107.07 4trx n GLY 83 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 4trx n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4trx s GLN 84 N -0.49 -0.02 0.17 1.61 0.74 0.78 -5.12 119.66 117.32 4trx s GLN 84 Ca 0.00 0.27 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 4trx s GLN 84 Cb 0.00 -0.28 -0.09 0.00 1.10 0.00 0.00 33.01 33.74 4trx s GLN 84 CO 0.00 -0.20 1.45 0.21 -0.55 0.00 0.00 175.29 176.20 4trx s LYS 85 N 1.31 4.28 0.00 1.67 2.20 -1.26 -0.77 119.74 127.17 4trx s LYS 85 Ca -0.06 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 4trx s LYS 85 Cb -0.13 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 4trx s LYS 85 CO -0.04 -0.47 0.00 1.33 -0.36 0.00 0.00 175.35 175.81 4trx n VAL 86 N 3.47 0.00 -3.64 4.02 0.24 -0.82 -4.94 118.33 116.65 4trx n VAL 86 Ca 0.11 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.27 4trx n VAL 86 Cb 0.41 0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.06 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 -0.74 -0.25 -0.30 7.63 0.00 -1.20 -5.03 107.32 107.44 4trx s GLY 87 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 4trx s GLY 87 CO 0.00 -0.23 1.31 1.85 0.00 0.00 0.00 173.10 176.04 4trx s GLU 88 N -3.82 0.01 -0.09 2.90 2.12 -1.26 -1.13 118.70 117.42 4trx s GLU 88 Ca 0.05 0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 4trx s GLU 88 Cb 0.00 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.43 4trx s GLU 88 CO -0.09 -0.00 0.23 -0.59 -0.54 0.00 0.00 175.26 174.27 4trx s PHE 89 N 1.65 -0.27 0.15 5.30 -0.12 -0.90 -5.03 117.98 118.76 4trx s PHE 89 Ca -0.02 0.66 0.03 0.00 -0.05 0.00 0.00 56.93 57.55 4trx s PHE 89 Cb -0.01 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 4trx s PHE 89 CO -0.14 -0.16 0.26 -1.54 -0.05 0.00 0.00 175.22 173.60 4trx s SER 90 N 0.50 6.23 0.00 1.98 1.04 -1.26 -2.41 113.70 119.77 4trx s SER 90 Ca -0.03 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.53 4trx s SER 90 Cb -0.05 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.23 4trx s SER 90 CO -0.03 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.86 4trx n GLY 91 N -0.53 4.42 1.49 7.32 0.00 -1.11 -4.90 105.19 111.88 4trx n GLY 91 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.93 3.26 -2.48 4.61 0.00 -1.26 -4.84 120.51 118.87 4trx n ALA 92 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 4trx n ALA 92 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 1.81 7.03 -0.24 0.00 3.04 -1.26 -4.98 114.94 120.34 4trx s ASN 93 Ca 0.00 1.23 -0.16 0.00 0.04 0.00 0.00 52.86 53.97 4trx s ASN 93 Cb 0.00 -2.39 -0.11 0.00 -1.54 0.00 0.00 41.25 37.21 4trx s ASN 93 CO 0.00 0.06 -0.28 0.29 -3.04 0.00 0.00 177.10 174.13 4trx n LYS 94 N 2.84 0.57 0.15 0.43 4.01 -1.26 -4.11 118.16 120.79 4trx n LYS 94 Ca -0.05 0.30 0.06 0.00 -0.51 0.00 0.00 58.31 58.10 4trx n LYS 94 Cb 0.51 -1.51 0.32 0.00 -0.51 0.00 0.00 35.03 33.83 4trx n LYS 94 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 4trx n GLU 95 N -4.34 0.08 -0.06 1.97 -0.58 -1.26 -0.58 120.64 115.88 4trx n GLU 95 Ca -0.41 0.54 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 4trx n GLU 95 Cb 0.75 -2.07 -0.13 0.00 -0.57 0.00 0.00 31.44 29.42 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 4trx h LYS 96 N 0.00 0.05 -0.41 3.49 3.64 -1.99 -3.33 116.57 118.02 4trx h LYS 96 Ca 0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 4trx h LYS 96 Cb 0.61 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 4trx h LYS 96 CO 0.00 1.04 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.81 4trx h LEU 97 N -0.88 -1.21 0.00 5.20 3.38 -0.99 0.38 115.31 121.19 4trx h LEU 97 Ca -0.09 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 4trx h LEU 97 Cb 1.17 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.43 4trx h LEU 97 CO -0.01 -0.19 0.00 1.21 0.09 0.00 0.00 178.44 179.54 4trx n GLU 98 N -4.32 0.00 -0.31 1.13 0.00 -1.22 -0.01 120.64 115.91 4trx n GLU 98 Ca -0.01 0.95 0.17 0.00 0.00 0.00 0.00 57.16 58.27 4trx n GLU 98 Cb 0.18 -1.46 0.43 0.00 0.00 0.00 0.00 31.44 30.59 4trx n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 4trx h ALA 99 N -1.11 1.99 -0.19 4.31 0.00 -1.59 -0.00 119.26 122.67 4trx h ALA 99 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 4trx h ALA 99 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 4trx h ALA 99 CO 0.00 -0.34 0.10 1.15 0.00 0.00 0.00 179.25 180.16 4trx h THR 100 N 0.56 1.12 -0.72 0.00 2.02 0.32 -1.27 112.91 114.94 4trx h THR 100 Ca 0.55 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.40 4trx h THR 100 Cb 1.14 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 4trx h THR 100 CO -0.29 0.12 0.48 0.40 0.37 0.00 0.00 175.52 176.59 4trx h ILE 101 N 0.18 1.16 0.00 3.11 5.03 0.14 0.61 117.51 127.74 4trx h ILE 101 Ca 0.07 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 4trx h ILE 101 Cb 0.10 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.03 4trx h ILE 101 CO -0.01 0.17 0.00 -3.20 -0.68 0.00 0.00 178.15 174.43 4trx n ASN 102 N -4.44 0.36 -0.02 1.72 2.85 -0.37 -0.01 115.26 115.36 4trx n ASN 102 Ca 0.08 0.62 -0.16 0.00 -0.11 0.00 0.00 54.58 55.02 4trx n ASN 102 Cb 0.06 -0.69 -0.10 0.00 1.24 0.00 0.00 39.78 40.29 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 0.29 -0.01 1.20 4.57 0.13 -3.34 114.58 117.43 4trx h GLU 103 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 4trx h GLU 103 Cb 0.17 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 4trx h GLU 103 CO 0.00 0.95 -0.69 1.28 -1.18 0.00 0.00 179.01 179.37 4trx n LEU 104 N -4.42 1.28 0.00 1.64 4.77 -0.94 -5.12 117.00 114.21 4trx n LEU 104 Ca -0.09 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 4trx n LEU 104 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 4trx n LEU 104 CO 0.42 0.27 0.07 0.55 -1.33 0.00 0.00 177.39 177.37