#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4trx s VAL 2 N 0.00 2.27 0.00 2.03 1.01 -1.26 -4.01 120.40 120.44 4trx s VAL 2 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 4trx s VAL 2 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 4trx s VAL 2 CO 0.00 0.02 -0.00 -0.75 0.00 0.00 0.00 175.10 174.37 4trx s LYS 3 N -2.54 0.02 -0.12 2.72 2.20 -0.17 -4.99 119.74 116.86 4trx s LYS 3 Ca 0.63 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.16 4trx s LYS 3 Cb -0.41 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 4trx s LYS 3 CO 0.51 0.00 0.12 -1.14 -0.36 0.00 0.00 175.35 174.48 4trx s GLN 4 N -0.04 3.41 0.51 4.03 0.74 -1.26 -0.24 119.66 126.81 4trx s GLN 4 Ca -0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.23 4trx s GLN 4 Cb -0.00 -3.14 0.01 0.00 1.10 0.00 0.00 33.01 30.98 4trx s GLN 4 CO -0.00 0.75 0.75 0.42 -0.55 0.00 0.00 175.29 176.65 4trx s ILE 5 N -0.94 3.43 0.00 -2.34 -1.09 -0.95 -4.93 121.20 114.38 4trx s ILE 5 Ca 0.14 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 4trx s ILE 5 Cb -0.12 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 4trx s ILE 5 CO 0.03 -0.22 0.00 1.21 -1.23 0.00 0.00 174.94 174.73 4trx n GLU 6 N -2.27 0.00 -3.87 2.79 2.13 -1.26 -4.82 120.64 113.35 4trx n GLU 6 Ca 0.04 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.69 4trx n GLU 6 Cb 0.58 -0.58 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 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 -2.25 0.13 -0.03 4.31 3.41 -1.26 -4.68 113.62 113.26 4trx n SER 7 Ca 0.00 -2.77 -0.13 0.00 -0.26 0.00 0.00 58.87 55.71 4trx n SER 7 Cb 0.25 1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.08 -1.03 4.33 3.64 -1.97 -2.69 116.57 118.92 4trx h LYS 8 Ca -0.22 -0.05 0.26 0.00 -1.27 0.00 0.00 60.65 59.37 4trx h LYS 8 Cb 0.98 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.70 4trx h LYS 8 CO 0.33 0.64 0.64 1.15 -2.27 0.00 0.00 179.45 179.94 4trx h THR 9 N -0.46 0.52 0.68 1.00 2.02 -1.98 0.22 112.91 114.91 4trx h THR 9 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 4trx h THR 9 Cb 0.64 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 4trx h THR 9 CO 0.01 0.08 -0.33 0.00 0.37 0.00 0.00 175.52 175.66 4trx h ALA 10 N 1.67 -0.92 -1.06 6.16 0.00 -1.95 0.48 119.26 123.63 4trx h ALA 10 Ca 0.62 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.62 4trx h ALA 10 Cb 1.42 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 4trx h ALA 10 CO -0.37 -0.91 0.75 0.35 0.00 0.00 0.00 179.25 179.07 4trx h PHE 11 N -1.13 0.12 0.00 0.00 3.57 -0.64 0.85 116.94 119.71 4trx h PHE 11 Ca -0.09 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.22 4trx h PHE 11 Cb 0.74 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 4trx h PHE 11 CO -0.00 0.01 -0.85 0.37 -2.23 0.00 0.00 178.31 175.61 4trx h GLN 12 N 0.07 0.10 0.19 1.11 5.75 -0.11 -3.16 115.11 119.05 4trx h GLN 12 Ca 0.52 -0.11 -0.26 0.00 -0.15 0.00 0.00 58.65 58.65 4trx h GLN 12 Cb 1.94 0.03 0.03 0.00 1.07 0.00 0.00 27.48 30.55 4trx h GLN 12 CO -0.06 0.89 -1.16 0.93 -2.65 0.00 0.00 178.83 176.78 4trx h GLU 13 N 0.05 0.40 -0.74 1.69 4.39 0.28 -3.14 114.58 117.52 4trx h GLU 13 Ca -0.03 -0.69 0.09 0.00 0.34 0.00 0.00 59.36 59.08 4trx h GLU 13 Cb 1.48 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 30.34 4trx h GLU 13 CO 0.12 1.33 0.49 0.00 -1.16 0.00 0.00 179.01 179.78 4trx h ALA 14 N 0.10 1.82 0.00 3.43 0.00 -0.78 0.56 119.26 124.40 4trx h ALA 14 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 4trx h ALA 14 Cb 1.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.53 4trx h ALA 14 CO 0.20 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 4trx h LEU 15 N 0.65 0.00 0.00 0.00 3.38 -1.62 -1.45 115.31 116.26 4trx h LEU 15 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 4trx h LEU 15 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 4trx h LEU 15 CO -0.12 0.00 -1.69 -0.67 0.09 0.00 0.00 178.44 176.05 4trx n ASP 16 N -2.81 0.42 -1.11 -0.43 -0.08 0.88 -4.03 116.55 109.40 4trx n ASP 16 Ca 0.03 0.18 0.09 0.00 -1.51 0.00 0.00 54.79 53.58 4trx n ASP 16 Cb 0.42 0.99 0.26 0.00 2.34 0.00 0.00 41.12 45.14 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 -2.36 2.37 0.54 -1.67 0.00 0.16 -4.28 120.51 115.27 4trx n ALA 17 Ca -0.09 -1.29 0.08 0.00 0.00 0.00 0.00 53.44 52.13 4trx n ALA 17 Cb 0.74 -0.75 0.21 0.00 0.00 0.00 0.00 19.45 19.64 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 1.15 2.43 -0.92 0.00 0.00 -0.56 -5.00 120.51 117.62 4trx n ALA 18 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.83 4trx n ALA 18 Cb 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.07 4trx n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4trx n GLY 19 N 1.24 1.52 0.00 0.00 0.00 -1.26 -3.59 105.19 103.10 4trx n GLY 19 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 11.66 0.00 -4.30 1.61 5.75 -1.26 -4.64 116.55 125.36 4trx n ASP 20 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 4trx n ASP 20 Cb 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.13 4trx n ASP 20 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 4trx n LYS 21 N -0.04 0.16 -1.51 0.11 5.02 -1.24 -4.36 118.16 116.30 4trx n LYS 21 Ca 0.00 0.07 -0.50 0.00 -2.02 0.00 0.00 58.31 55.86 4trx n LYS 21 Cb 0.00 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 4trx n LYS 21 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 4trx n LEU 22 N 1.55 0.41 -3.81 -0.35 4.77 -1.26 -4.72 117.00 113.58 4trx n LEU 22 Ca 0.08 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.90 4trx n LEU 22 Cb 0.49 -1.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.35 4trx n LEU 22 CO 0.52 -1.96 -0.28 -0.69 -1.33 0.00 0.00 177.39 173.65 4trx s VAL 23 N -0.55 1.56 0.17 4.08 1.01 -0.84 -1.79 120.40 124.04 4trx s VAL 23 Ca 0.71 -2.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 4trx s VAL 23 Cb -0.93 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 4trx s VAL 23 CO 0.55 -0.75 0.38 -0.69 0.00 0.00 0.00 175.10 174.60 4trx s VAL 24 N 0.82 5.18 -0.05 2.92 1.01 -1.03 -0.08 120.40 129.18 4trx s VAL 24 Ca 0.13 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.01 4trx s VAL 24 Cb -0.21 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.50 4trx s VAL 24 CO -0.10 -0.06 -0.15 -0.69 0.00 0.00 0.00 175.10 174.09 4trx s VAL 25 N -1.76 1.31 -0.81 2.92 1.01 0.60 -1.43 120.40 122.24 4trx s VAL 25 Ca 0.40 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 4trx s VAL 25 Cb -0.12 -1.14 0.21 0.00 0.00 0.00 0.00 36.38 35.33 4trx s VAL 25 CO 0.27 0.38 0.72 -0.62 0.00 0.00 0.00 175.10 175.85 4trx s ASP 26 N 0.16 6.42 -0.85 3.32 2.15 -1.06 -1.17 116.67 125.63 4trx s ASP 26 Ca -0.06 -2.86 -0.25 0.00 0.43 0.00 0.00 52.55 49.82 4trx s ASP 26 Cb -0.12 -2.11 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 4trx s ASP 26 CO 0.02 -0.48 1.51 -0.36 -0.17 0.00 0.00 175.17 175.69 4trx s PHE 27 N -0.08 2.23 0.00 -5.34 0.08 -0.17 -2.44 117.98 112.26 4trx s PHE 27 Ca 0.19 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.09 4trx s PHE 27 Cb -0.12 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 37.82 4trx s PHE 27 CO -0.08 -2.01 0.00 0.45 -0.10 0.00 0.00 175.22 173.48 4trx n SER 28 N 10.25 0.00 -4.43 1.36 2.88 -0.96 -0.80 113.62 121.92 4trx n SER 28 Ca 0.22 -0.83 -0.34 0.00 -1.33 0.00 0.00 58.87 56.58 4trx n SER 28 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.83 4trx n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4trx s ALA 29 N -1.78 2.92 -0.09 -1.46 0.00 -1.26 -2.35 121.76 117.73 4trx s ALA 29 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 4trx s ALA 29 Cb 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 23.12 21.24 4trx s ALA 29 CO 0.00 -0.01 0.57 0.00 0.00 0.00 0.00 175.76 176.33 4trx h THR 30 N 5.36 0.99 -0.33 0.00 1.03 -1.92 -3.31 112.91 114.72 4trx h THR 30 Ca -0.34 -2.42 0.04 0.00 -0.01 0.00 0.00 66.41 63.68 4trx h THR 30 Cb 1.18 2.71 -0.04 0.00 -1.07 0.00 0.00 68.15 70.94 4trx h THR 30 CO 0.61 0.75 0.11 4.11 -0.01 0.00 0.00 175.52 181.09 4trx h TRP 31 N -0.19 0.20 -2.08 0.00 5.08 -2.00 -3.43 115.95 113.53 4trx h TRP 31 Ca -0.32 0.02 -0.43 0.00 1.08 0.00 0.00 58.89 59.23 4trx h TRP 31 Cb 1.85 -0.04 0.23 0.00 -3.00 0.00 0.00 29.16 28.20 4trx h TRP 31 CO 0.12 0.08 -1.22 0.00 -1.28 0.00 0.00 178.44 176.13 4trx n GLY 33 N 2.27 -0.47 0.43 0.00 0.00 -1.26 -4.04 105.19 102.13 4trx n GLY 33 Ca 0.01 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 0.27 -0.10 1.61 0.11 -1.95 0.41 132.00 132.35 4trx h PRO 34 Ca 0.00 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 4trx h PRO 34 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 4trx h PRO 34 CO 0.00 0.18 -0.52 0.00 -0.21 0.00 0.00 178.00 177.44 4trx n LYS 36 N -3.94 1.43 0.10 0.00 4.81 0.13 -3.45 118.16 117.24 4trx n LYS 36 Ca -0.02 -0.73 0.13 0.00 -0.87 0.00 0.00 58.31 56.82 4trx n LYS 36 Cb 0.56 -1.48 0.37 0.00 0.02 0.00 0.00 35.03 34.50 4trx n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 4trx n MET 37 N -0.15 0.26 0.00 1.64 2.81 -0.28 -2.78 117.12 118.62 4trx n MET 37 Ca 0.19 0.19 0.13 0.00 -1.81 0.00 0.00 57.70 56.39 4trx n MET 37 Cb 0.31 -1.78 0.25 0.00 -0.71 0.00 0.00 33.22 31.29 4trx n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 4trx n ILE 38 N -2.23 0.00 -0.10 2.02 2.08 -1.22 -4.30 119.36 115.61 4trx n ILE 38 Ca 0.05 -0.32 -0.11 0.00 0.56 0.00 0.00 62.75 62.93 4trx n ILE 38 Cb 0.43 0.98 -0.03 0.00 -0.75 0.00 0.00 39.64 40.27 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 3.05 0.54 0.00 0.38 3.64 -1.69 -2.59 116.57 119.89 4trx h LYS 39 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 4trx h LYS 39 Cb 0.73 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 4trx h LYS 39 CO 0.00 0.68 0.02 -2.30 -2.27 0.00 0.00 179.45 175.59 4trx n PRO 40 N -4.56 0.00 -0.10 1.90 -0.02 -1.26 0.17 135.00 131.13 4trx n PRO 40 Ca -0.03 0.10 -0.21 0.00 -2.02 0.00 0.00 63.50 61.34 4trx n PRO 40 Cb 0.26 -1.52 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.03 0.00 0.40 6.00 3.72 -0.99 -3.81 117.46 121.75 4trx n PHE 41 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 4trx n PHE 41 Cb 0.02 -0.75 0.20 0.00 -0.94 0.00 0.00 39.48 38.02 4trx n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 4trx h PHE 42 N -0.67 0.00 0.07 1.38 3.57 -1.10 -3.29 116.94 116.91 4trx h PHE 42 Ca -0.52 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.68 4trx h PHE 42 Cb 1.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 4trx h PHE 42 CO -0.06 0.00 -1.57 1.25 -2.23 0.00 0.00 178.31 175.71 4trx h HIS 43 N 0.00 0.29 0.00 0.41 2.76 0.15 -3.29 115.15 115.48 4trx h HIS 43 Ca 0.00 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 4trx h HIS 43 Cb 0.86 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.81 4trx h HIS 43 CO 0.00 1.29 0.00 -1.13 -1.30 0.00 0.00 177.93 176.79 4trx n SER 44 N -3.34 0.25 0.00 3.26 3.41 -1.24 -1.81 113.62 114.15 4trx n SER 44 Ca -0.16 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.10 4trx n SER 44 Cb 1.03 -0.62 0.35 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.79 0.00 -0.29 1.04 4.77 -1.24 -2.99 117.00 116.50 4trx n LEU 45 Ca 0.02 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 4trx n LEU 45 Cb 0.14 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.90 4trx n LEU 45 CO 0.12 -0.21 1.18 -1.28 -1.33 0.00 0.00 177.39 175.87 4trx h SER 46 N 0.00 0.80 0.05 -1.43 0.87 -1.60 -2.22 113.55 110.02 4trx h SER 46 Ca 0.00 0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.19 4trx h SER 46 Cb 0.24 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 4trx h SER 46 CO 0.00 0.53 -2.23 -0.62 -0.53 0.00 0.00 176.83 173.97 4trx n GLU 47 N -4.63 0.68 0.03 2.24 1.02 -1.16 -3.52 120.64 115.29 4trx n GLU 47 Ca 0.11 0.23 -0.07 0.00 -0.02 0.00 0.00 57.16 57.40 4trx n GLU 47 Cb 0.14 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 4trx n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4trx h LYS 48 N -0.13 -0.31 -5.03 3.49 1.63 -1.54 -3.33 116.57 111.36 4trx h LYS 48 Ca -0.52 0.02 -0.68 0.00 -0.85 0.00 0.00 60.65 58.62 4trx h LYS 48 Cb 1.89 0.07 -0.18 0.00 -0.60 0.00 0.00 32.23 33.41 4trx h LYS 48 CO -0.06 -0.20 0.14 0.71 -3.45 0.00 0.00 179.45 176.58 4trx s TYR 49 N -4.27 3.00 -1.15 1.91 2.02 -0.84 -4.86 117.35 113.15 4trx s TYR 49 Ca -0.07 -0.55 0.25 0.00 -0.37 0.00 0.00 57.07 56.32 4trx s TYR 49 Cb 0.03 -3.71 0.41 0.00 -0.40 0.00 0.00 41.96 38.30 4trx s TYR 49 CO 0.28 -1.14 1.35 -1.13 -1.57 0.00 0.00 175.55 173.34 4trx n SER 50 N 6.40 0.71 -1.84 2.29 3.41 -1.25 -3.88 113.62 119.46 4trx n SER 50 Ca -0.06 -0.51 -0.06 0.00 -0.26 0.00 0.00 58.87 57.98 4trx n SER 50 Cb 0.45 0.36 0.28 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.32 4.45 -3.88 4.04 5.15 -1.26 -4.93 115.26 117.51 4trx n ASN 51 Ca 0.06 -3.29 -0.10 0.00 -0.60 0.00 0.00 54.58 50.65 4trx n ASN 51 Cb 0.34 -0.73 -0.09 0.00 -0.53 0.00 0.00 39.78 38.77 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 -3.03 0.10 -0.12 3.44 1.01 -1.25 -4.49 120.40 116.06 4trx s VAL 52 Ca 0.53 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 4trx s VAL 52 Cb 0.43 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 4trx s VAL 52 CO 0.12 -0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.11 4trx s ILE 53 N -2.02 4.20 -0.12 2.22 1.01 -0.74 -4.09 121.20 121.66 4trx s ILE 53 Ca -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.31 4trx s ILE 53 Cb -0.04 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.64 4trx s ILE 53 CO -0.01 0.55 -0.21 -0.36 0.00 0.00 0.00 174.94 174.91 4trx s PHE 54 N -0.34 2.51 0.45 3.97 0.08 -1.26 -2.45 117.98 120.94 4trx s PHE 54 Ca 0.07 -1.19 0.07 0.00 0.12 0.00 0.00 56.93 56.00 4trx s PHE 54 Cb -0.12 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 4trx s PHE 54 CO 0.02 -0.54 0.40 -0.51 -0.10 0.00 0.00 175.22 174.50 4trx s LEU 55 N 0.71 3.25 -0.21 -0.37 1.02 -0.52 -1.00 118.68 121.58 4trx s LEU 55 Ca -0.10 -0.85 -0.04 0.00 0.02 0.00 0.00 54.13 53.16 4trx s LEU 55 Cb -0.16 -1.87 0.10 0.00 0.02 0.00 0.00 46.19 44.29 4trx s LEU 55 CO 0.01 -0.77 0.32 -0.70 0.02 0.00 0.00 176.35 175.23 4trx s GLU 56 N -4.18 0.26 -0.05 1.70 2.12 0.67 -2.58 118.70 116.64 4trx s GLU 56 Ca 0.46 0.54 -0.00 0.00 0.36 0.00 0.00 54.97 56.33 4trx s GLU 56 Cb -0.03 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.81 4trx s GLU 56 CO 0.27 -0.54 -0.00 0.08 -0.54 0.00 0.00 175.26 174.53 4trx s VAL 57 N 2.47 4.20 -0.26 3.70 1.01 -1.02 -2.23 120.40 128.27 4trx s VAL 57 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 4trx s VAL 57 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 4trx s VAL 57 CO -0.13 0.51 0.11 -0.62 0.00 0.00 0.00 175.10 174.98 4trx s ASP 58 N -1.15 5.49 0.00 3.32 -1.08 -1.26 -2.26 116.67 119.74 4trx s ASP 58 Ca 0.16 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 4trx s ASP 58 Cb -0.11 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 4trx s ASP 58 CO 0.05 -0.03 0.62 1.33 0.52 0.00 0.00 175.17 177.66 4trx n VAL 59 N 4.88 0.45 0.00 1.11 0.24 -0.99 -1.62 118.33 122.40 4trx n VAL 59 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 4trx n VAL 59 Cb 0.52 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 0.40 2.27 -0.06 -1.34 2.03 -1.26 -4.57 116.55 114.01 4trx n ASP 60 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 4trx n ASP 60 Cb 0.31 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.62 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 -2.18 1.11 -2.63 1.67 2.03 -1.18 -4.41 116.55 110.95 4trx n ASP 61 Ca 0.00 -1.03 -0.10 0.00 0.52 0.00 0.00 54.79 54.18 4trx n ASP 61 Cb 0.31 0.90 0.03 0.00 -0.72 0.00 0.00 41.12 41.64 4trx n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx n GLN 63 N -0.34 0.03 0.02 0.00 6.02 -1.26 -2.14 117.38 119.70 4trx n GLN 63 Ca 0.16 0.45 -0.02 0.00 -0.01 0.00 0.00 57.00 57.58 4trx n GLN 63 Cb 0.81 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 4trx n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 4trx h ASP 64 N 0.00 -0.10 -0.87 1.08 2.03 -1.92 -0.90 116.42 115.74 4trx h ASP 64 Ca 0.00 0.00 0.22 0.00 -0.73 0.00 0.00 57.03 56.52 4trx h ASP 64 Cb 0.21 0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 38.69 4trx h ASP 64 CO 0.00 0.21 0.59 0.58 -1.03 0.00 0.00 179.24 179.59 4trx h VAL 65 N -0.68 0.64 -0.13 4.15 2.07 -1.81 0.25 116.25 120.74 4trx h VAL 65 Ca -0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 4trx h VAL 65 Cb 0.09 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 4trx h VAL 65 CO 0.02 0.04 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 4trx h ALA 66 N 1.60 0.20 0.00 1.67 0.00 -1.53 -2.62 119.26 118.59 4trx h ALA 66 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.96 4trx h ALA 66 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 4trx h ALA 66 CO -0.10 0.18 0.00 0.43 0.00 0.00 0.00 179.25 179.75 4trx n SER 67 N -4.46 0.08 0.05 0.00 7.64 0.65 -1.24 113.62 116.34 4trx n SER 67 Ca -0.07 0.53 -0.05 0.00 1.01 0.00 0.00 58.87 60.29 4trx n SER 67 Cb 0.44 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.00 -0.02 1.43 4.57 -0.56 -3.19 114.58 116.81 4trx h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 4trx h GLU 68 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 4trx h GLU 68 CO 0.00 0.65 -0.03 0.00 -1.18 0.00 0.00 179.01 178.45 4trx n GLU 70 N 0.31 -5.42 -2.63 0.00 -0.58 -0.95 -4.95 120.64 106.43 4trx n GLU 70 Ca 0.17 0.64 -0.31 0.00 -0.42 0.00 0.00 57.16 57.24 4trx n GLU 70 Cb 0.40 -5.36 -0.03 0.00 -0.57 0.00 0.00 31.44 25.87 4trx n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 4trx s VAL 71 N -3.51 4.67 0.00 2.62 1.01 -1.21 -4.98 120.40 119.00 4trx s VAL 71 Ca 0.25 0.90 0.11 0.00 0.00 0.00 0.00 61.98 63.24 4trx s VAL 71 Cb -0.12 -3.73 0.18 0.00 0.00 0.00 0.00 36.38 32.71 4trx s VAL 71 CO 0.81 -0.61 1.01 1.17 0.00 0.00 0.00 175.10 177.48 4trx n LYS 72 N -1.45 0.00 0.00 2.72 3.00 -1.26 -4.94 118.16 116.24 4trx n LYS 72 Ca 0.04 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.06 4trx n LYS 72 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.49 4trx n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 4trx s THR 74 N 0.00 4.06 0.49 0.00 -4.23 -1.26 -4.07 115.64 110.64 4trx s THR 74 Ca 0.00 -1.26 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 4trx s THR 74 Cb 0.00 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.70 4trx s THR 74 CO 0.00 -0.10 0.99 -2.16 -0.54 0.00 0.00 174.62 172.81 4trx s PRO 75 N -2.98 3.96 -0.11 3.99 0.04 -1.26 -4.94 135.00 133.69 4trx s PRO 75 Ca 0.29 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 4trx s PRO 75 Cb -0.10 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.34 4trx s PRO 75 CO 0.21 -0.27 -0.03 0.99 0.04 0.00 0.00 177.00 177.94 4trx s THR 76 N -2.41 0.71 -0.05 1.26 2.01 0.02 -2.69 115.64 114.48 4trx s THR 76 Ca 0.61 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 4trx s THR 76 Cb -0.11 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 4trx s THR 76 CO 0.25 0.24 0.44 -0.36 -0.69 0.00 0.00 174.62 174.50 4trx s PHE 77 N 1.83 3.63 0.08 4.92 0.08 -0.90 -0.99 117.98 126.62 4trx s PHE 77 Ca 0.04 0.95 0.07 0.00 0.12 0.00 0.00 56.93 58.11 4trx s PHE 77 Cb -0.13 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 4trx s PHE 77 CO -0.07 0.42 -0.19 -1.14 -0.10 0.00 0.00 175.22 174.13 4trx s GLN 78 N -0.27 1.12 -0.13 0.44 2.00 -0.32 -1.68 119.66 120.82 4trx s GLN 78 Ca 0.25 -1.05 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 4trx s GLN 78 Cb -0.16 -1.30 -0.01 0.00 0.80 0.00 0.00 33.01 32.34 4trx s GLN 78 CO 0.12 0.31 -0.15 -0.06 -0.50 0.00 0.00 175.29 175.01 4trx s PHE 79 N -1.07 2.78 -0.00 1.67 0.40 0.12 -0.29 117.98 121.59 4trx s PHE 79 Ca 0.05 -0.79 0.06 0.00 -0.60 0.00 0.00 56.93 55.65 4trx s PHE 79 Cb -0.10 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 4trx s PHE 79 CO 0.03 -0.30 -0.19 -0.06 0.70 0.00 0.00 175.22 175.40 4trx s PHE 80 N 0.48 1.71 -0.03 0.36 0.08 0.89 -2.11 117.98 119.36 4trx s PHE 80 Ca -0.10 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.63 4trx s PHE 80 Cb -0.16 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 4trx s PHE 80 CO 0.05 -0.01 -0.03 0.21 -0.10 0.00 0.00 175.22 175.34 4trx s LYS 81 N -0.57 0.52 -0.38 0.44 2.47 0.37 -1.99 119.74 120.59 4trx s LYS 81 Ca 0.07 -0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 4trx s LYS 81 Cb -0.08 -0.58 0.00 0.00 -1.46 0.00 0.00 37.83 35.71 4trx s LYS 81 CO -0.00 -0.05 0.00 1.63 0.16 0.00 0.00 175.35 177.09 4trx n LYS 82 N 3.79 -1.77 -0.51 4.03 5.02 -1.26 0.11 118.16 127.57 4trx n LYS 82 Ca -0.23 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 4trx n LYS 82 Cb 0.52 -4.20 0.00 0.00 -0.02 0.00 0.00 35.03 31.33 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 0.32 1.31 2.78 0.72 0.00 -1.26 -5.02 105.19 104.04 4trx n GLY 83 Ca -0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.51 -0.03 0.35 1.61 0.74 0.30 -5.11 119.66 116.01 4trx s GLN 84 Ca 0.00 0.22 -0.29 0.00 0.05 0.00 0.00 55.36 55.34 4trx s GLN 84 Cb 0.00 -0.26 -0.11 0.00 1.10 0.00 0.00 33.01 33.74 4trx s GLN 84 CO 0.00 -0.18 1.44 0.21 -0.55 0.00 0.00 175.29 176.21 4trx s LYS 85 N 1.16 4.20 0.00 1.67 2.20 -1.26 -0.48 119.74 127.22 4trx s LYS 85 Ca -0.08 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 4trx s LYS 85 Cb -0.13 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 4trx s LYS 85 CO -0.03 -0.43 0.00 1.33 -0.36 0.00 0.00 175.35 175.86 4trx n VAL 86 N 0.81 0.00 -3.79 4.02 0.24 -0.90 -4.88 118.33 113.83 4trx n VAL 86 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 4trx n VAL 86 Cb 0.40 0.04 -0.09 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.23 -0.08 -0.29 7.63 0.00 -1.22 -5.02 107.32 108.10 4trx s GLY 87 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.67 4trx s GLY 87 CO 0.00 -0.11 0.81 -1.83 0.00 0.00 0.00 173.10 171.97 4trx s GLU 88 N -1.75 0.49 -0.16 2.90 -1.05 -1.26 0.16 118.70 118.03 4trx s GLU 88 Ca -0.11 1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 55.68 4trx s GLU 88 Cb -0.04 0.48 0.05 0.00 -0.44 0.00 0.00 34.13 34.18 4trx s GLU 88 CO 0.01 -0.14 0.40 -0.59 0.95 0.00 0.00 175.26 175.89 4trx s PHE 89 N 2.27 -0.53 0.47 4.83 -0.12 -0.67 -5.03 117.98 119.20 4trx s PHE 89 Ca -0.06 1.18 0.07 0.00 -0.05 0.00 0.00 56.93 58.07 4trx s PHE 89 Cb -0.08 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 4trx s PHE 89 CO -0.18 -0.29 0.38 -1.54 -0.05 0.00 0.00 175.22 173.54 4trx s SER 90 N 0.98 4.81 0.00 1.98 1.04 -1.26 -2.12 113.70 119.13 4trx s SER 90 Ca -0.06 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.39 4trx s SER 90 Cb -0.07 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.89 4trx s SER 90 CO -0.08 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.92 4trx n GLY 91 N -1.62 3.45 3.56 7.32 0.00 -1.09 -4.93 105.19 111.87 4trx n GLY 91 Ca 0.02 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 4trx n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4trx s ALA 92 N -0.73 1.51 -0.07 4.61 0.00 -1.26 -4.88 121.76 120.94 4trx s ALA 92 Ca 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 4trx s ALA 92 Cb 0.00 -4.55 0.02 0.00 0.00 0.00 0.00 23.12 18.59 4trx s ALA 92 CO 0.00 -4.98 0.16 1.21 0.00 0.00 0.00 175.76 172.15 4trx s ASN 93 N 8.51 -0.16 -0.14 0.00 3.04 -1.26 -5.06 114.94 119.87 4trx s ASN 93 Ca 0.74 0.34 -0.10 0.00 0.04 0.00 0.00 52.86 53.88 4trx s ASN 93 Cb -0.08 0.30 -0.06 0.00 -1.54 0.00 0.00 41.25 39.87 4trx s ASN 93 CO 0.01 -0.09 -0.22 0.29 -3.04 0.00 0.00 177.10 174.05 4trx n LYS 94 N 3.42 0.36 0.29 0.43 4.01 -1.26 -4.26 118.16 121.15 4trx n LYS 94 Ca -0.17 0.15 0.08 0.00 -0.51 0.00 0.00 58.31 57.86 4trx n LYS 94 Cb 0.56 -1.11 0.43 0.00 -0.51 0.00 0.00 35.03 34.41 4trx n LYS 94 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 4trx h GLU 95 N -0.63 0.00 0.03 1.97 4.81 -2.02 0.23 114.58 118.97 4trx h GLU 95 Ca -0.27 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 4trx h GLU 95 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 4trx h GLU 95 CO -0.16 0.00 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.57 4trx h LYS 96 N 0.00 0.06 -0.82 1.92 3.64 -2.00 -3.31 116.57 116.05 4trx h LYS 96 Ca 0.00 -0.10 0.20 0.00 -1.27 0.00 0.00 60.65 59.48 4trx h LYS 96 Cb 1.12 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.83 4trx h LYS 96 CO 0.00 1.05 0.01 -0.07 -2.27 0.00 0.00 179.45 178.16 4trx h LEU 97 N -0.87 -0.39 0.00 5.20 3.38 -0.72 0.31 115.31 122.22 4trx h LEU 97 Ca -0.07 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.12 4trx h LEU 97 Cb 1.17 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.30 4trx h LEU 97 CO 0.00 -0.22 0.00 1.21 0.09 0.00 0.00 178.44 179.52 4trx n GLU 98 N -5.38 0.00 -0.31 1.13 2.13 -1.18 -0.17 120.64 116.85 4trx n GLU 98 Ca 0.16 0.55 0.18 0.00 0.66 0.00 0.00 57.16 58.72 4trx n GLU 98 Cb 0.54 -1.42 0.44 0.00 0.27 0.00 0.00 31.44 31.27 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 -1.78 2.01 -0.37 4.31 0.00 -1.55 0.11 119.26 122.00 4trx h ALA 99 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 4trx h ALA 99 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 4trx h ALA 99 CO 0.00 -0.38 0.20 1.15 0.00 0.00 0.00 179.25 180.22 4trx h THR 100 N 0.53 1.15 -0.44 0.00 2.02 -0.00 -1.30 112.91 114.87 4trx h THR 100 Ca 0.56 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 4trx h THR 100 Cb 1.20 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 4trx h THR 100 CO -0.31 0.15 0.26 0.40 0.37 0.00 0.00 175.52 176.40 4trx h ILE 101 N 0.48 1.13 0.00 3.11 2.04 0.20 0.60 117.51 125.06 4trx h ILE 101 Ca 0.13 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.71 4trx h ILE 101 Cb 0.07 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 4trx h ILE 101 CO -0.02 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.06 4trx n ASN 102 N -4.45 0.23 0.01 1.72 2.85 -0.53 -0.13 115.26 114.97 4trx n ASN 102 Ca 0.03 0.56 -0.18 0.00 -0.11 0.00 0.00 54.58 54.89 4trx n ASN 102 Cb 0.08 -0.61 -0.13 0.00 1.24 0.00 0.00 39.78 40.36 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 0.32 -0.02 1.20 4.81 0.11 -3.34 114.58 117.65 4trx h GLU 103 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 4trx h GLU 103 Cb 0.24 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 4trx h GLU 103 CO 0.00 1.13 -0.01 1.28 -0.73 0.00 0.00 179.01 180.68 4trx n LEU 104 N -4.24 2.54 0.00 1.64 4.77 -1.03 -5.12 117.00 115.57 4trx n LEU 104 Ca -0.12 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 4trx n LEU 104 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 4trx n LEU 104 CO 0.46 0.44 0.11 0.55 -1.33 0.00 0.00 177.39 177.62