#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 1.53 -3.81 2.03 0.31 -1.26 -4.61 118.33 112.53 4trx n VAL 2 Ca 0.00 -0.32 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 4trx n VAL 2 Cb 0.00 -0.82 -0.15 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.23 -0.02 0.06 5.55 2.20 -0.48 -5.00 119.74 118.81 4trx s LYS 3 Ca 0.66 0.12 -0.15 0.00 -0.36 0.00 0.00 55.97 56.24 4trx s LYS 3 Cb -0.31 -0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 35.79 4trx s LYS 3 CO 0.58 -0.11 0.47 -1.14 -0.36 0.00 0.00 175.35 174.79 4trx s GLN 4 N 0.69 3.97 0.50 4.03 0.74 -1.26 -0.73 119.66 127.60 4trx s GLN 4 Ca -0.06 0.46 -0.01 0.00 0.05 0.00 0.00 55.36 55.80 4trx s GLN 4 Cb -0.08 -3.13 0.10 0.00 1.10 0.00 0.00 33.01 31.00 4trx s GLN 4 CO -0.02 0.62 0.69 -0.89 -0.55 0.00 0.00 175.29 175.14 4trx n ILE 5 N 1.46 0.00 0.00 -2.34 2.08 -1.14 -4.93 119.36 114.48 4trx n ILE 5 Ca -0.11 -1.01 0.00 0.00 0.56 0.00 0.00 62.75 62.19 4trx n ILE 5 Cb 0.52 -1.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 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 -2.29 0.00 -2.65 0.38 2.13 -1.26 -4.87 120.64 112.08 4trx n GLU 6 Ca 0.11 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.87 4trx n GLU 6 Cb 0.39 -0.19 -0.02 0.00 0.27 0.00 0.00 31.44 31.89 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 -2.01 -0.40 0.12 4.31 3.41 -1.26 -4.62 113.62 113.17 4trx n SER 7 Ca 0.00 -1.77 -0.12 0.00 -0.26 0.00 0.00 58.87 56.72 4trx n SER 7 Cb 0.00 0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.35 -1.08 4.33 3.64 -1.96 -1.90 116.57 119.25 4trx h LYS 8 Ca -0.10 0.02 0.29 0.00 -1.27 0.00 0.00 60.65 59.60 4trx h LYS 8 Cb 0.45 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.24 4trx h LYS 8 CO 0.13 0.00 0.68 1.15 -2.27 0.00 0.00 179.45 179.15 4trx h THR 9 N -0.86 0.45 0.44 1.00 2.02 -1.98 0.24 112.91 114.21 4trx h THR 9 Ca -0.04 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 4trx h THR 9 Cb 0.51 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 4trx h THR 9 CO 0.06 0.07 -0.21 0.00 0.37 0.00 0.00 175.52 175.81 4trx h ALA 10 N 1.64 -0.58 -0.92 6.16 0.00 -1.94 -0.22 119.26 123.41 4trx h ALA 10 Ca 0.65 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.63 4trx h ALA 10 Cb 1.66 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.64 4trx h ALA 10 CO -0.36 -0.69 0.66 0.35 0.00 0.00 0.00 179.25 179.21 4trx h PHE 11 N -0.87 0.03 0.02 0.00 3.57 0.16 0.49 116.94 120.35 4trx h PHE 11 Ca -0.06 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.22 4trx h PHE 11 Cb 0.56 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 4trx h PHE 11 CO 0.01 0.01 -0.96 0.37 -2.23 0.00 0.00 178.31 175.50 4trx h GLN 12 N 0.02 0.29 0.04 1.11 5.75 -0.28 -3.17 115.11 118.87 4trx h GLN 12 Ca 0.44 -0.34 -0.25 0.00 -0.15 0.00 0.00 58.65 58.35 4trx h GLN 12 Cb 1.72 0.10 0.02 0.00 1.07 0.00 0.00 27.48 30.40 4trx h GLN 12 CO -0.01 1.06 -1.01 0.93 -2.65 0.00 0.00 178.83 177.15 4trx h GLU 13 N 0.15 0.61 -0.77 1.69 4.39 0.17 -3.14 114.58 117.68 4trx h GLU 13 Ca -0.07 -0.71 0.08 0.00 0.34 0.00 0.00 59.36 58.99 4trx h GLU 13 Cb 1.62 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 30.42 4trx h GLU 13 CO 0.16 1.30 0.43 0.00 -1.16 0.00 0.00 179.01 179.74 4trx h ALA 14 N 0.34 1.06 0.00 3.43 0.00 -0.84 0.38 119.26 123.63 4trx h ALA 14 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 4trx h ALA 14 Cb 1.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.34 4trx h ALA 14 CO 0.20 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.82 4trx n LEU 15 N -4.75 0.34 0.03 0.00 4.77 -1.20 -1.53 117.00 114.65 4trx n LEU 15 Ca 0.11 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.79 4trx n LEU 15 Cb 0.23 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 4trx n LEU 15 CO 0.28 -0.40 -0.12 -0.67 -1.33 0.00 0.00 177.39 175.15 4trx n ASP 16 N -1.87 0.57 -0.12 -1.43 -0.08 0.12 -4.05 116.55 109.69 4trx n ASP 16 Ca 0.03 -0.20 0.08 0.00 -1.51 0.00 0.00 54.79 53.19 4trx n ASP 16 Cb 0.20 0.96 -0.06 0.00 2.34 0.00 0.00 41.12 44.56 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 -1.89 3.80 0.05 -1.67 0.00 -0.37 -4.42 120.51 116.00 4trx n ALA 17 Ca 0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 4trx n ALA 17 Cb 0.46 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 2.43 0.36 0.00 0.00 0.00 -1.42 -3.50 119.26 117.13 4trx h ALA 18 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 4trx h ALA 18 Cb 0.43 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.55 4trx h ALA 18 CO 0.00 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.88 4trx n GLY 19 N 1.67 0.93 0.00 0.00 0.00 -1.26 -4.34 105.19 102.18 4trx n GLY 19 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.18 0.97 -4.32 1.61 5.68 -1.26 -4.39 116.55 115.02 4trx n ASP 20 Ca 0.00 -0.04 -0.38 0.00 -0.50 0.00 0.00 54.79 53.88 4trx n ASP 20 Cb 0.00 0.27 0.04 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.37 0.19 -1.69 0.11 5.02 -1.26 -3.70 118.16 116.46 4trx n LYS 21 Ca 0.00 0.08 -0.59 0.00 -2.02 0.00 0.00 58.31 55.78 4trx n LYS 21 Cb 0.00 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 4trx n LYS 21 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 4trx n LEU 22 N 1.46 2.14 -4.10 -0.35 7.94 -1.26 -4.75 117.00 118.09 4trx n LEU 22 Ca 0.08 1.05 -0.34 0.00 -1.11 0.00 0.00 56.01 55.68 4trx n LEU 22 Cb 0.49 -1.10 -0.13 0.00 0.53 0.00 0.00 43.42 43.21 4trx n LEU 22 CO 0.52 -0.51 -0.26 -0.69 -1.11 0.00 0.00 177.39 175.34 4trx s VAL 23 N 3.76 2.93 0.02 1.96 1.01 -0.86 -2.44 120.40 126.78 4trx s VAL 23 Ca 1.01 -1.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 4trx s VAL 23 Cb -1.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 4trx s VAL 23 CO 0.68 -0.53 0.19 -0.69 0.00 0.00 0.00 175.10 174.75 4trx s VAL 24 N 1.10 5.36 -0.04 2.92 1.01 -1.09 -0.12 120.40 129.54 4trx s VAL 24 Ca 0.06 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.81 4trx s VAL 24 Cb -0.21 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 4trx s VAL 24 CO -0.05 0.25 -0.21 -0.69 0.00 0.00 0.00 175.10 174.40 4trx s VAL 25 N -1.39 1.69 -0.71 2.92 1.01 0.03 -1.17 120.40 122.78 4trx s VAL 25 Ca 0.30 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 4trx s VAL 25 Cb -0.13 -1.43 0.19 0.00 0.00 0.00 0.00 36.38 35.01 4trx s VAL 25 CO 0.22 0.48 0.59 -0.62 0.00 0.00 0.00 175.10 175.77 4trx s ASP 26 N -0.22 6.01 -0.94 3.32 2.15 -1.07 -1.70 116.67 124.21 4trx s ASP 26 Ca 0.01 -2.70 -0.24 0.00 0.43 0.00 0.00 52.55 50.05 4trx s ASP 26 Cb -0.11 -2.04 0.02 0.00 -0.30 0.00 0.00 42.92 40.50 4trx s ASP 26 CO 0.01 -0.49 1.54 -0.36 -0.17 0.00 0.00 175.17 175.70 4trx s PHE 27 N 0.16 2.31 0.32 -5.34 0.08 -0.21 -2.28 117.98 113.02 4trx s PHE 27 Ca 0.16 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.90 4trx s PHE 27 Cb -0.16 -4.53 -0.02 0.00 -0.57 0.00 0.00 43.02 37.73 4trx s PHE 27 CO -0.06 -1.94 0.31 0.45 -0.10 0.00 0.00 175.22 173.88 4trx s SER 28 N 5.55 1.39 -0.26 1.36 0.15 -0.93 -1.48 113.70 119.48 4trx s SER 28 Ca 0.50 -1.67 -0.12 0.00 0.70 0.00 0.00 55.95 55.36 4trx s SER 28 Cb -0.03 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 4trx s SER 28 CO -0.03 -1.09 0.25 0.00 1.20 0.00 0.00 173.24 173.57 4trx s ALA 29 N -3.43 3.56 0.12 5.45 0.00 -1.26 -2.50 121.76 123.70 4trx s ALA 29 Ca 0.38 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.48 4trx s ALA 29 Cb 0.02 -2.52 -0.20 0.00 0.00 0.00 0.00 23.12 20.43 4trx s ALA 29 CO 0.25 -0.47 1.27 0.00 0.00 0.00 0.00 175.76 176.81 4trx h THR 30 N 5.26 1.66 -0.04 0.00 1.03 -1.93 -3.32 112.91 115.56 4trx h THR 30 Ca -0.35 -3.30 -0.03 0.00 -0.01 0.00 0.00 66.41 62.73 4trx h THR 30 Cb 1.18 2.83 0.00 0.00 -1.07 0.00 0.00 68.15 71.09 4trx h THR 30 CO 0.62 0.95 -0.09 4.11 -0.01 0.00 0.00 175.52 181.09 4trx h TRP 31 N 0.02 0.17 -2.18 0.00 5.08 -2.00 -3.46 115.95 113.58 4trx h TRP 31 Ca -0.03 -0.06 -0.45 0.00 1.08 0.00 0.00 58.89 59.42 4trx h TRP 31 Cb 1.78 -0.03 0.23 0.00 -3.00 0.00 0.00 29.16 28.14 4trx h TRP 31 CO 0.01 0.69 -1.19 0.00 -1.28 0.00 0.00 178.44 176.67 4trx n GLY 33 N 2.16 -0.44 0.43 0.00 0.00 -1.26 -4.08 105.19 102.00 4trx n GLY 33 Ca 0.01 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 0.28 -0.28 1.61 0.11 -1.95 0.69 132.00 132.46 4trx h PRO 34 Ca 0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 4trx h PRO 34 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 4trx h PRO 34 CO 0.00 0.19 -0.28 0.00 -0.21 0.00 0.00 178.00 177.69 4trx n LYS 36 N -4.09 0.46 0.00 0.00 4.81 0.14 -3.81 118.16 115.66 4trx n LYS 36 Ca -0.01 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 4trx n LYS 36 Cb 0.44 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.37 0.00 -0.26 1.64 1.56 0.19 0.30 117.12 118.18 4trx n MET 37 Ca 0.01 0.46 0.11 0.00 -0.27 0.00 0.00 57.70 58.00 4trx n MET 37 Cb 0.50 -1.54 0.27 0.00 2.15 0.00 0.00 33.22 34.60 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 -1.45 0.69 0.05 1.12 5.41 -1.25 -4.48 119.36 119.45 4trx n ILE 38 Ca 0.00 -0.76 -0.12 0.00 1.00 0.00 0.00 62.75 62.87 4trx n ILE 38 Cb 0.04 0.55 -0.06 0.00 -0.71 0.00 0.00 39.64 39.46 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 3.72 -0.12 0.00 0.38 1.57 -0.41 -1.72 116.57 119.99 4trx h LYS 39 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 4trx h LYS 39 Cb 0.84 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.18 4trx h LYS 39 CO 0.00 -0.08 0.00 -2.30 -0.57 0.00 0.00 179.45 176.50 4trx n PRO 40 N -5.18 0.00 -0.09 3.15 -0.02 -1.26 0.76 135.00 132.36 4trx n PRO 40 Ca -0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.25 4trx n PRO 40 Cb 0.11 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.93 0.00 0.06 6.00 3.01 -0.67 -4.11 117.46 120.82 4trx n PHE 41 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 4trx n PHE 41 Cb 0.00 -0.61 -0.14 0.00 -0.01 0.00 0.00 39.48 38.71 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 -0.73 0.52 0.00 1.38 3.57 -1.23 -3.30 116.94 117.15 4trx h PHE 42 Ca -0.35 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 60.76 4trx h PHE 42 Cb 1.22 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.94 4trx h PHE 42 CO -0.15 1.50 0.00 1.58 -2.23 0.00 0.00 178.31 179.02 4trx n HIS 43 N -3.48 0.00 0.84 0.41 -0.00 0.23 -2.70 115.22 110.52 4trx n HIS 43 Ca -0.21 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.10 4trx n HIS 43 Cb 1.06 -0.40 0.32 0.00 -0.12 0.00 0.00 29.99 30.85 4trx n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 4trx n SER 44 N -1.40 0.48 -0.00 0.26 2.88 -1.19 -3.42 113.62 111.23 4trx n SER 44 Ca 0.10 0.09 0.14 0.00 -1.33 0.00 0.00 58.87 57.86 4trx n SER 44 Cb 0.26 -0.02 0.64 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.03 0.09 2.46 4.77 -1.10 -3.42 117.00 118.09 4trx n LEU 45 Ca 0.05 0.42 0.02 0.00 -0.03 0.00 0.00 56.01 56.47 4trx n LEU 45 Cb 0.37 -0.43 0.37 0.00 -2.33 0.00 0.00 43.42 41.41 4trx n LEU 45 CO 0.33 0.01 0.92 -1.28 -1.33 0.00 0.00 177.39 176.04 4trx h SER 46 N 0.01 0.30 0.09 -1.43 0.87 -1.74 -1.81 113.55 109.84 4trx h SER 46 Ca 0.00 -0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 4trx h SER 46 Cb 0.45 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 4trx h SER 46 CO 0.00 0.42 -1.45 -0.33 -0.53 0.00 0.00 176.83 174.94 4trx h GLU 47 N 0.31 0.19 0.00 2.24 3.07 -1.82 -3.38 114.58 115.19 4trx h GLU 47 Ca 0.07 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 4trx h GLU 47 Cb 0.33 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 4trx h GLU 47 CO 0.02 1.16 0.00 1.17 -1.40 0.00 0.00 179.01 179.95 4trx n LYS 48 N -3.96 0.00 -2.40 2.33 4.81 -1.19 -4.37 118.16 113.39 4trx n LYS 48 Ca -0.27 0.37 -0.42 0.00 -0.87 0.00 0.00 58.31 57.12 4trx n LYS 48 Cb 0.87 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 34.57 4trx n LYS 48 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 4trx s TYR 49 N -2.32 2.32 -0.51 5.64 2.02 -0.69 -4.81 117.35 119.00 4trx s TYR 49 Ca 0.00 0.49 0.23 0.00 -0.37 0.00 0.00 57.07 57.42 4trx s TYR 49 Cb 0.00 -4.39 -0.05 0.00 -0.40 0.00 0.00 41.96 37.12 4trx s TYR 49 CO 0.00 -1.95 0.92 -1.13 -1.57 0.00 0.00 175.55 171.82 4trx n SER 50 N 9.43 0.56 -2.24 2.29 3.41 -1.26 -4.15 113.62 121.65 4trx n SER 50 Ca 0.13 -0.19 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 4trx n SER 50 Cb 0.49 0.99 0.12 0.00 -0.26 0.00 0.00 64.21 65.55 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 -2.04 5.94 -3.92 4.04 5.15 -1.26 -4.93 115.26 118.23 4trx n ASN 51 Ca 0.01 -3.72 -0.10 0.00 -0.60 0.00 0.00 54.58 50.17 4trx n ASN 51 Cb 0.46 -0.89 -0.10 0.00 -0.53 0.00 0.00 39.78 38.72 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 -4.19 0.12 -0.08 3.44 1.01 -1.26 -4.75 120.40 114.69 4trx s VAL 52 Ca 0.61 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 4trx s VAL 52 Cb 0.49 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 4trx s VAL 52 CO 0.04 -0.53 0.07 -0.63 0.00 0.00 0.00 175.10 174.05 4trx s ILE 53 N -2.17 4.86 -0.10 2.22 -1.09 -1.02 -4.72 121.20 119.18 4trx s ILE 53 Ca -0.09 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.22 4trx s ILE 53 Cb -0.04 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 4trx s ILE 53 CO -0.03 0.55 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.81 4trx s PHE 54 N -1.01 1.35 0.46 3.97 0.08 -1.26 -2.68 117.98 118.88 4trx s PHE 54 Ca 0.16 -0.64 0.08 0.00 0.12 0.00 0.00 56.93 56.66 4trx s PHE 54 Cb -0.12 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 4trx s PHE 54 CO 0.06 -0.47 0.55 -0.51 -0.10 0.00 0.00 175.22 174.74 4trx s LEU 55 N 1.70 3.39 -0.27 -0.37 1.02 -0.32 -1.38 118.68 122.45 4trx s LEU 55 Ca 0.04 -0.67 -0.00 0.00 0.02 0.00 0.00 54.13 53.52 4trx s LEU 55 Cb -0.13 -2.15 0.15 0.00 0.02 0.00 0.00 46.19 44.09 4trx s LEU 55 CO -0.07 -0.88 0.41 -0.70 0.02 0.00 0.00 176.35 175.13 4trx s GLU 56 N -4.35 0.40 -0.12 1.70 2.12 0.10 -2.61 118.70 115.93 4trx s GLU 56 Ca 0.53 0.36 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 4trx s GLU 56 Cb -0.07 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.97 4trx s GLU 56 CO 0.32 -0.85 0.26 0.08 -0.54 0.00 0.00 175.26 174.53 4trx s VAL 57 N 2.57 5.31 -0.36 3.70 1.01 -0.97 -2.91 120.40 128.76 4trx s VAL 57 Ca 0.12 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 4trx s VAL 57 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 4trx s VAL 57 CO -0.24 0.49 0.42 -0.62 0.00 0.00 0.00 175.10 175.15 4trx s ASP 58 N -0.20 6.22 0.00 3.32 2.15 -1.26 -2.19 116.67 124.72 4trx s ASP 58 Ca 0.17 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.89 4trx s ASP 58 Cb -0.13 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 4trx s ASP 58 CO 0.05 -0.43 1.15 1.33 -0.17 0.00 0.00 175.17 177.10 4trx n VAL 59 N 5.34 1.15 0.00 1.11 0.24 -1.04 -2.00 118.33 123.12 4trx n VAL 59 Ca -0.07 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 4trx n VAL 59 Cb 0.49 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 0.13 -0.29 -1.34 2.03 -1.26 -4.70 116.55 112.39 4trx n ASP 60 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 4trx n ASP 60 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.82 1.42 -1.56 1.67 2.03 -1.20 -4.44 116.55 111.65 4trx n ASP 61 Ca 0.00 -1.21 -0.08 0.00 0.52 0.00 0.00 54.79 54.02 4trx n ASP 61 Cb 0.35 0.55 0.09 0.00 -0.72 0.00 0.00 41.12 41.40 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 1.70 0.00 0.16 0.00 4.20 -1.78 -1.38 115.11 118.02 4trx h GLN 63 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 4trx h GLN 63 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 4trx h GLN 63 CO 0.36 0.00 -0.08 0.38 -0.67 0.00 0.00 178.83 178.83 4trx h ASP 64 N 0.00 -0.19 -0.90 1.46 2.03 -1.94 0.03 116.42 116.93 4trx h ASP 64 Ca 0.00 -0.33 -0.01 0.00 -0.73 0.00 0.00 57.03 55.97 4trx h ASP 64 Cb 0.37 0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 38.87 4trx h ASP 64 CO 0.00 0.27 0.53 0.58 -1.03 0.00 0.00 179.24 179.59 4trx h VAL 65 N -0.70 1.25 -0.24 4.15 2.07 -1.61 -1.25 116.25 119.93 4trx h VAL 65 Ca -0.02 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 4trx h VAL 65 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 4trx h VAL 65 CO 0.04 0.27 0.11 0.00 0.02 0.00 0.00 177.57 178.00 4trx h ALA 66 N 1.29 0.30 0.00 1.67 0.00 -1.49 -0.30 119.26 120.73 4trx h ALA 66 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 4trx h ALA 66 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 4trx h ALA 66 CO -0.06 -0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.50 4trx n SER 67 N -4.82 0.40 0.08 0.00 7.64 -0.01 -1.07 113.62 115.85 4trx n SER 67 Ca -0.03 0.65 -0.11 0.00 1.01 0.00 0.00 58.87 60.39 4trx n SER 67 Cb 0.11 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 4trx n SER 67 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 4trx h GLU 68 N 0.00 0.26 -0.02 1.43 4.81 0.14 -3.03 114.58 118.17 4trx h GLU 68 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 4trx h GLU 68 Cb 0.12 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.60 4trx h GLU 68 CO 0.00 1.05 -0.04 0.00 -0.73 0.00 0.00 179.01 179.29 4trx n GLU 70 N 0.67 -4.89 -0.60 0.00 4.71 -0.55 -4.93 120.64 115.04 4trx n GLU 70 Ca 0.16 0.61 -0.29 0.00 -0.01 0.00 0.00 57.16 57.63 4trx n GLU 70 Cb 0.47 -5.17 0.24 0.00 -1.01 0.00 0.00 31.44 25.97 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 4trx s VAL 71 N -3.65 2.04 0.00 2.62 1.01 -1.18 -4.97 120.40 116.27 4trx s VAL 71 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.06 4trx s VAL 71 Cb -0.04 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.25 4trx s VAL 71 CO 0.82 -0.02 0.02 0.29 0.00 0.00 0.00 175.10 176.21 4trx n LYS 72 N -4.80 0.17 0.00 2.72 4.76 -1.26 -5.01 118.16 114.74 4trx n LYS 72 Ca 0.04 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 4trx n LYS 72 Cb 0.54 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 4trx s THR 74 N -0.36 5.07 0.57 0.00 -4.23 -1.26 -4.18 115.64 111.25 4trx s THR 74 Ca 0.00 -0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 4trx s THR 74 Cb 0.00 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 4trx s THR 74 CO 0.00 -0.25 1.01 -2.16 -0.54 0.00 0.00 174.62 172.68 4trx s PRO 75 N -3.39 3.76 -0.07 3.99 0.04 -1.26 -4.93 135.00 133.14 4trx s PRO 75 Ca 0.43 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 4trx s PRO 75 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.36 4trx s PRO 75 CO 0.29 -0.43 0.02 0.99 0.04 0.00 0.00 177.00 177.91 4trx s THR 76 N -2.90 0.21 -0.10 1.26 2.01 -0.55 -2.65 115.64 112.93 4trx s THR 76 Ca 0.57 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 4trx s THR 76 Cb -0.11 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 4trx s THR 76 CO 0.43 0.20 0.22 -0.36 -0.69 0.00 0.00 174.62 174.41 4trx s PHE 77 N 2.04 3.61 0.08 4.92 0.08 -0.92 -1.05 117.98 126.74 4trx s PHE 77 Ca 0.05 0.64 0.05 0.00 0.12 0.00 0.00 56.93 57.79 4trx s PHE 77 Cb -0.12 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 4trx s PHE 77 CO -0.05 0.65 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.94 4trx s GLN 78 N -0.84 0.82 -0.12 0.44 -0.21 -0.69 -1.91 119.66 117.15 4trx s GLN 78 Ca 0.17 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.59 4trx s GLN 78 Cb -0.13 -0.77 -0.00 0.00 1.00 0.00 0.00 33.01 33.10 4trx s GLN 78 CO 0.06 0.16 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.13 4trx s PHE 79 N -1.46 2.66 -0.13 0.91 0.40 0.11 -0.79 117.98 119.68 4trx s PHE 79 Ca -0.01 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 4trx s PHE 79 Cb -0.09 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.68 4trx s PHE 79 CO 0.02 -0.40 -0.13 -0.06 0.70 0.00 0.00 175.22 175.35 4trx s PHE 80 N 0.46 1.95 -0.04 0.36 0.08 0.83 -2.29 117.98 119.34 4trx s PHE 80 Ca -0.14 -1.03 0.06 0.00 0.12 0.00 0.00 56.93 55.95 4trx s PHE 80 Cb -0.17 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 4trx s PHE 80 CO 0.06 -0.58 -0.22 0.21 -0.10 0.00 0.00 175.22 174.58 4trx s LYS 81 N 1.41 2.30 -0.41 0.44 2.20 0.11 -2.02 119.74 123.78 4trx s LYS 81 Ca 0.02 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 4trx s LYS 81 Cb -0.13 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 4trx s LYS 81 CO -0.08 0.55 0.00 1.63 -0.36 0.00 0.00 175.35 177.09 4trx n LYS 82 N 2.49 -1.80 0.00 4.03 5.02 -1.24 0.68 118.16 127.33 4trx n LYS 82 Ca -0.17 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 4trx n LYS 82 Cb 0.51 -4.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 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 0.39 3.11 3.91 0.72 0.00 -1.26 -4.99 105.19 107.07 4trx n GLY 83 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.98 3.55 0.36 1.61 -0.21 0.21 -5.02 119.66 119.20 4trx s GLN 84 Ca 0.00 -0.22 -0.26 0.00 0.02 0.00 0.00 55.36 54.90 4trx s GLN 84 Cb 0.00 -2.92 -0.09 0.00 1.00 0.00 0.00 33.01 31.00 4trx s GLN 84 CO 0.00 0.52 1.08 0.21 -2.12 0.00 0.00 175.29 174.98 4trx s LYS 85 N -2.59 4.29 0.00 2.91 2.20 -1.26 0.04 119.74 125.33 4trx s LYS 85 Ca 0.39 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 4trx s LYS 85 Cb -0.12 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 4trx s LYS 85 CO 0.26 -0.06 0.00 1.33 -0.36 0.00 0.00 175.35 176.52 4trx n VAL 86 N 0.32 0.00 -3.89 4.02 0.24 -0.97 -4.85 118.33 113.20 4trx n VAL 86 Ca 0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 4trx n VAL 86 Cb 0.48 -0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.36 0.10 -0.30 7.63 0.00 -1.23 -5.03 107.32 107.13 4trx s GLY 87 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.19 4trx s GLY 87 CO 0.00 -0.53 0.94 -1.83 0.00 0.00 0.00 173.10 171.68 4trx s GLU 88 N -2.38 0.36 -0.07 2.90 -1.05 -1.26 0.07 118.70 117.27 4trx s GLU 88 Ca -0.07 0.79 -0.05 0.00 -0.15 0.00 0.00 54.97 55.49 4trx s GLU 88 Cb -0.02 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 4trx s GLU 88 CO -0.03 -0.10 0.17 -0.59 0.95 0.00 0.00 175.26 175.65 4trx s PHE 89 N 2.09 -0.19 0.38 4.83 -0.12 -0.80 -5.02 117.98 119.15 4trx s PHE 89 Ca -0.05 0.48 0.08 0.00 -0.05 0.00 0.00 56.93 57.39 4trx s PHE 89 Cb -0.06 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 4trx s PHE 89 CO -0.17 -0.12 0.19 -1.54 -0.05 0.00 0.00 175.22 173.53 4trx s SER 90 N 0.47 4.62 0.00 1.98 1.04 -1.26 -2.15 113.70 118.40 4trx s SER 90 Ca -0.03 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.50 4trx s SER 90 Cb -0.05 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.48 4trx s SER 90 CO -0.02 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.35 4trx n GLY 91 N -1.24 3.84 1.49 7.32 0.00 -1.09 -4.83 105.19 110.68 4trx n GLY 91 Ca -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.41 2.96 -2.49 4.61 0.00 -1.26 -4.71 120.51 118.21 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 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 1.75 6.93 -0.02 0.00 3.04 -1.26 -4.97 114.94 120.42 4trx s ASN 93 Ca 0.00 1.11 -0.04 0.00 0.04 0.00 0.00 52.86 53.97 4trx s ASN 93 Cb 0.00 -2.34 -0.02 0.00 -1.54 0.00 0.00 41.25 37.35 4trx s ASN 93 CO 0.00 0.14 -0.09 0.29 -3.04 0.00 0.00 177.10 174.39 4trx n LYS 94 N 2.61 0.14 0.00 0.43 5.02 -1.26 -4.56 118.16 120.54 4trx n LYS 94 Ca -0.08 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 4trx n LYS 94 Cb 0.51 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 4trx n LYS 94 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 4trx n GLU 95 N -3.56 0.00 0.05 1.97 -0.58 -1.26 -0.88 120.64 116.37 4trx n GLU 95 Ca -0.08 0.26 -0.22 0.00 -0.42 0.00 0.00 57.16 56.70 4trx n GLU 95 Cb 0.34 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.32 -0.40 3.49 1.63 -1.99 -3.36 116.57 116.27 4trx h LYS 96 Ca 0.00 -0.55 0.04 0.00 -0.85 0.00 0.00 60.65 59.30 4trx h LYS 96 Cb 0.16 0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.92 4trx h LYS 96 CO 0.00 1.26 -0.47 -0.07 -3.45 0.00 0.00 179.45 176.72 4trx h LEU 97 N -0.17 -1.58 -0.27 5.20 3.38 -1.26 0.53 115.31 121.14 4trx h LEU 97 Ca -0.28 0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.93 4trx h LEU 97 Cb 1.86 0.65 -0.04 0.00 0.09 0.00 0.00 40.66 43.23 4trx h LEU 97 CO 0.13 -0.32 -0.22 -0.08 0.09 0.00 0.00 178.44 178.04 4trx h GLU 98 N -0.29 -0.07 -0.44 1.13 4.81 -1.74 0.38 114.58 118.36 4trx h GLU 98 Ca 0.07 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 4trx h GLU 98 Cb 0.48 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 4trx h GLU 98 CO -0.53 -0.05 0.30 0.00 -0.73 0.00 0.00 179.01 178.01 4trx h ALA 99 N -0.63 2.17 -0.33 2.92 0.00 -1.60 -1.14 119.26 120.65 4trx h ALA 99 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 4trx h ALA 99 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 4trx h ALA 99 CO -0.29 -0.27 0.03 1.15 0.00 0.00 0.00 179.25 179.87 4trx h THR 100 N 0.19 1.25 -0.98 0.00 2.02 0.38 -2.22 112.91 113.54 4trx h THR 100 Ca 0.20 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.53 4trx h THR 100 Cb 0.56 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 4trx h THR 100 CO -0.03 0.29 0.65 0.40 0.37 0.00 0.00 175.52 177.19 4trx h ILE 101 N 0.38 1.20 0.00 3.11 2.04 0.71 0.60 117.51 125.56 4trx h ILE 101 Ca 0.10 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.52 4trx h ILE 101 Cb 0.39 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 4trx h ILE 101 CO 0.01 0.23 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 4trx n ASN 102 N -4.42 0.44 -0.03 1.72 2.85 -0.78 0.23 115.26 115.28 4trx n ASN 102 Ca 0.13 0.68 -0.14 0.00 -0.11 0.00 0.00 54.58 55.14 4trx n ASN 102 Cb 0.07 -0.75 -0.11 0.00 1.24 0.00 0.00 39.78 40.23 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 0.15 -0.01 1.20 4.57 0.80 -3.34 114.58 117.95 4trx h GLU 103 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 4trx h GLU 103 Cb 0.08 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 4trx h GLU 103 CO 0.00 0.83 -0.46 1.28 -1.18 0.00 0.00 179.01 179.48 4trx n LEU 104 N -4.58 1.75 0.00 1.64 4.77 -0.85 -5.13 117.00 114.60 4trx n LEU 104 Ca -0.09 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 4trx n LEU 104 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 4trx n LEU 104 CO 0.38 0.33 0.07 0.55 -1.33 0.00 0.00 177.39 177.40