#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 1.65 -4.53 1.12 0.31 -1.26 -4.63 118.33 110.99 4trx n VAL 2 Ca 0.00 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.56 4trx n VAL 2 Cb 0.00 -0.41 -0.17 0.00 -0.91 0.00 0.00 33.84 32.35 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 -1.37 2.06 0.03 5.55 2.20 0.12 -4.99 119.74 123.33 4trx s LYS 3 Ca 0.62 -0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 55.55 4trx s LYS 3 Cb -0.68 -1.73 -0.06 0.00 -1.51 0.00 0.00 37.83 33.84 4trx s LYS 3 CO 0.59 -0.02 0.47 -1.14 -0.36 0.00 0.00 175.35 174.88 4trx s GLN 4 N 0.87 4.01 0.59 4.03 0.74 -1.26 0.12 119.66 128.75 4trx s GLN 4 Ca -0.10 0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.86 4trx s GLN 4 Cb -0.15 -3.21 0.06 0.00 1.10 0.00 0.00 33.01 30.81 4trx s GLN 4 CO 0.01 0.66 0.82 0.42 -0.55 0.00 0.00 175.29 176.65 4trx s ILE 5 N -1.11 2.49 0.00 -2.34 -1.09 -0.96 -4.90 121.20 113.29 4trx s ILE 5 Ca 0.26 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 4trx s ILE 5 Cb -0.17 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 4trx s ILE 5 CO 0.16 0.00 0.00 -0.62 -1.23 0.00 0.00 174.94 173.25 4trx n GLU 6 N -2.42 0.01 -4.13 2.79 1.02 -1.26 -4.86 120.64 111.79 4trx n GLU 6 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 4trx n GLU 6 Cb 0.60 -0.51 -0.06 0.00 -0.02 0.00 0.00 31.44 31.45 4trx n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 4trx s SER 7 N -2.77 0.87 0.14 1.62 1.04 -1.26 -4.71 113.70 108.63 4trx s SER 7 Ca 0.00 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 54.86 4trx s SER 7 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 4trx s SER 7 CO 0.00 -1.18 1.43 0.50 0.98 0.00 0.00 173.24 174.97 4trx h LYS 8 N 2.19 0.83 -0.86 4.02 3.64 -1.96 -2.39 116.57 122.03 4trx h LYS 8 Ca -0.28 -0.51 0.20 0.00 -1.27 0.00 0.00 60.65 58.78 4trx h LYS 8 Cb 1.24 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 4trx h LYS 8 CO 0.40 1.14 0.58 1.15 -2.27 0.00 0.00 179.45 180.45 4trx h THR 9 N 0.64 0.69 0.05 1.00 2.02 -2.01 -1.39 112.91 113.90 4trx h THR 9 Ca 0.02 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 4trx h THR 9 Cb 1.13 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 4trx h THR 9 CO 0.12 0.06 -0.28 0.00 0.37 0.00 0.00 175.52 175.79 4trx h ALA 10 N 1.62 -0.03 -1.00 6.16 0.00 -1.93 -3.18 119.26 120.89 4trx h ALA 10 Ca 0.44 -0.56 0.29 0.00 0.00 0.00 0.00 54.91 55.08 4trx h ALA 10 Cb 1.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 4trx h ALA 10 CO -0.14 0.13 0.95 0.35 0.00 0.00 0.00 179.25 180.53 4trx h PHE 11 N -0.76 0.00 0.05 0.00 3.57 -0.75 0.21 116.94 119.26 4trx h PHE 11 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 4trx h PHE 11 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 4trx h PHE 11 CO 0.25 0.00 -0.02 1.96 -2.23 0.00 0.00 178.31 178.26 4trx h GLN 12 N 0.00 -0.07 -0.01 1.11 1.08 -1.43 -3.17 115.11 112.63 4trx h GLN 12 Ca 0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 4trx h GLN 12 Cb 2.37 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 29.81 4trx h GLN 12 CO -0.01 -0.04 0.07 1.05 -0.95 0.00 0.00 178.83 178.95 4trx h GLU 13 N -0.36 0.00 -0.07 1.46 4.11 -1.33 0.62 114.58 119.02 4trx h GLU 13 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 4trx h GLU 13 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 4trx h GLU 13 CO 0.01 0.00 -0.64 0.00 0.07 0.00 0.00 179.01 178.45 4trx h ALA 14 N 1.86 0.78 0.00 1.06 0.00 -0.71 0.01 119.26 122.26 4trx h ALA 14 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 4trx h ALA 14 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 4trx h ALA 14 CO -0.00 0.75 -0.10 -0.07 0.00 0.00 0.00 179.25 179.83 4trx h LEU 15 N 0.19 0.00 0.00 0.00 3.38 -0.85 -2.71 115.31 115.32 4trx h LEU 15 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 4trx h LEU 15 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 4trx h LEU 15 CO 0.10 0.01 -1.46 -0.67 0.09 0.00 0.00 178.44 176.51 4trx n ASP 16 N -2.39 0.43 -0.08 -0.43 2.03 -0.98 -4.02 116.55 111.11 4trx n ASP 16 Ca 0.05 0.07 0.11 0.00 0.52 0.00 0.00 54.79 55.54 4trx n ASP 16 Cb 0.45 1.22 0.03 0.00 -0.72 0.00 0.00 41.12 42.10 4trx n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 4trx n ALA 17 N -2.15 4.16 1.57 -1.67 0.00 -0.04 -3.99 120.51 118.39 4trx n ALA 17 Ca -0.01 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 52.94 4trx n ALA 17 Cb 0.54 -0.89 0.14 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.25 2.49 -0.44 0.00 0.00 -1.03 -4.98 120.51 115.31 4trx n ALA 18 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.24 4trx n ALA 18 Cb 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.76 2.53 0.00 0.00 0.00 -1.26 -4.04 105.19 103.19 4trx n GLY 19 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 9.74 0.00 -4.11 1.61 5.68 -1.26 -4.67 116.55 123.54 4trx n ASP 20 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 4trx n ASP 20 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.19 -0.66 -1.64 0.11 4.01 -1.26 -3.68 118.16 114.85 4trx n LYS 21 Ca 0.00 -0.19 -0.46 0.00 -0.51 0.00 0.00 58.31 57.16 4trx n LYS 21 Cb 0.00 -1.29 -0.03 0.00 -0.51 0.00 0.00 35.03 33.21 4trx n LYS 21 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 4trx n LEU 22 N 1.37 2.58 -3.79 -0.35 7.94 -1.26 -4.57 117.00 118.92 4trx n LEU 22 Ca -0.01 1.15 -0.30 0.00 -1.11 0.00 0.00 56.01 55.74 4trx n LEU 22 Cb 0.70 -1.36 -0.15 0.00 0.53 0.00 0.00 43.42 43.15 4trx n LEU 22 CO 0.47 -0.80 -0.31 -0.69 -1.11 0.00 0.00 177.39 174.95 4trx s VAL 23 N -0.28 1.30 0.19 1.96 1.01 -0.51 -2.46 120.40 121.60 4trx s VAL 23 Ca 0.68 -1.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 4trx s VAL 23 Cb -0.70 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 4trx s VAL 23 CO 0.52 -0.71 0.44 -0.69 0.00 0.00 0.00 175.10 174.66 4trx s VAL 24 N 1.17 5.10 -0.05 2.92 1.01 -1.09 -0.28 120.40 129.17 4trx s VAL 24 Ca 0.12 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.21 4trx s VAL 24 Cb -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.54 4trx s VAL 24 CO -0.16 -0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.03 4trx s VAL 25 N -1.78 1.30 -0.70 2.92 1.01 0.21 -1.29 120.40 122.07 4trx s VAL 25 Ca 0.42 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 4trx s VAL 25 Cb -0.12 -1.14 0.18 0.00 0.00 0.00 0.00 36.38 35.30 4trx s VAL 25 CO 0.25 0.38 0.63 -0.62 0.00 0.00 0.00 175.10 175.74 4trx s ASP 26 N 0.26 6.36 -0.79 3.32 2.15 -1.10 -1.44 116.67 125.43 4trx s ASP 26 Ca -0.08 -2.41 -0.25 0.00 0.43 0.00 0.00 52.55 50.24 4trx s ASP 26 Cb -0.13 -2.15 0.05 0.00 -0.30 0.00 0.00 42.92 40.38 4trx s ASP 26 CO 0.03 -0.64 1.25 -0.36 -0.17 0.00 0.00 175.17 175.28 4trx s PHE 27 N 0.61 2.44 0.33 -5.34 0.08 -0.45 -2.35 117.98 113.31 4trx s PHE 27 Ca 0.13 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 4trx s PHE 27 Cb -0.18 -4.56 -0.00 0.00 -0.57 0.00 0.00 43.02 37.71 4trx s PHE 27 CO -0.05 -1.94 0.44 -1.54 -0.10 0.00 0.00 175.22 172.04 4trx s SER 28 N 3.96 0.89 -0.04 1.36 1.04 -1.01 -0.88 113.70 119.02 4trx s SER 28 Ca 0.35 -1.47 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 4trx s SER 28 Cb -0.08 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 4trx s SER 28 CO 0.08 -1.25 0.33 0.00 0.98 0.00 0.00 173.24 173.38 4trx s ALA 29 N -3.19 3.74 -0.13 5.32 0.00 -1.26 -2.29 121.76 123.96 4trx s ALA 29 Ca 0.31 -0.34 0.19 0.00 0.00 0.00 0.00 51.96 52.12 4trx s ALA 29 Cb 0.00 -2.27 -0.25 0.00 0.00 0.00 0.00 23.12 20.60 4trx s ALA 29 CO 0.20 0.50 0.38 -2.37 0.00 0.00 0.00 175.76 174.47 4trx n THR 30 N 1.94 0.89 -0.01 0.00 5.66 -1.26 -3.75 114.28 117.74 4trx n THR 30 Ca -0.16 -0.70 -0.16 0.00 -3.05 0.00 0.00 64.05 59.98 4trx n THR 30 Cb 0.53 -0.38 -0.10 0.00 -1.55 0.00 0.00 70.33 68.83 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 0.00 0.55 -2.42 1.09 5.08 -2.02 -3.46 115.95 114.77 4trx h TRP 31 Ca -0.28 -0.28 -0.36 0.00 1.08 0.00 0.00 58.89 59.05 4trx h TRP 31 Cb 1.69 -0.07 0.20 0.00 -3.00 0.00 0.00 29.16 27.97 4trx h TRP 31 CO 0.00 1.07 -0.52 0.00 -1.28 0.00 0.00 178.44 177.71 4trx n GLY 33 N 2.01 -0.38 0.50 0.00 0.00 -1.26 -4.23 105.19 101.83 4trx n GLY 33 Ca 0.05 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.39 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 0.04 0.14 1.61 0.11 -1.97 -0.63 132.00 131.30 4trx h PRO 34 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 4trx h PRO 34 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 4trx h PRO 34 CO 0.00 0.03 -0.07 0.00 -0.21 0.00 0.00 178.00 177.75 4trx n LYS 36 N -4.96 0.56 0.13 0.00 4.81 -0.36 -2.23 118.16 116.12 4trx n LYS 36 Ca -0.09 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.37 4trx n LYS 36 Cb 0.26 -1.42 0.01 0.00 0.02 0.00 0.00 35.03 33.89 4trx n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 4trx h MET 37 N 0.00 0.00 -0.02 1.64 4.05 -0.85 -3.11 114.93 116.64 4trx h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 4trx h MET 37 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 4trx h MET 37 CO 0.00 0.53 -0.01 -0.89 0.23 0.00 0.00 176.91 176.77 4trx n ILE 38 N -3.21 0.00 -0.05 1.77 5.41 -0.95 -4.28 119.36 118.05 4trx n ILE 38 Ca 0.01 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.27 4trx n ILE 38 Cb 0.76 1.01 -0.07 0.00 -0.71 0.00 0.00 39.64 40.63 4trx n ILE 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 4trx h LYS 39 N 3.52 0.30 0.00 0.38 3.64 -1.62 -2.76 116.57 120.03 4trx h LYS 39 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 4trx h LYS 39 Cb 0.75 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 4trx h LYS 39 CO 0.00 0.61 0.14 -2.30 -2.27 0.00 0.00 179.45 175.64 4trx n PRO 40 N -4.66 0.00 -0.08 1.90 -0.02 -1.26 0.15 135.00 131.03 4trx n PRO 40 Ca -0.06 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.48 4trx n PRO 40 Cb 0.28 -1.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.25 0.68 0.91 6.00 3.01 -1.05 -3.39 117.46 122.37 4trx n PHE 41 Ca 0.00 0.19 0.13 0.00 1.01 0.00 0.00 57.45 58.78 4trx n PHE 41 Cb 0.14 -1.08 0.38 0.00 -0.01 0.00 0.00 39.48 38.91 4trx n PHE 41 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 4trx n PHE 42 N -3.73 0.16 0.04 1.38 7.35 0.94 -3.71 117.46 119.88 4trx n PHE 42 Ca -0.39 0.05 -0.16 0.00 -0.76 0.00 0.00 57.45 56.19 4trx n PHE 42 Cb 0.94 -0.45 -0.14 0.00 0.35 0.00 0.00 39.48 40.17 4trx n PHE 42 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 4trx h HIS 43 N 0.00 0.36 0.00 -5.13 2.76 0.13 -3.30 115.15 109.96 4trx h HIS 43 Ca 0.00 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 4trx h HIS 43 Cb 0.56 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.50 4trx h HIS 43 CO 0.00 1.36 0.00 0.77 -1.30 0.00 0.00 177.93 178.76 4trx h SER 44 N 0.05 0.00 0.16 3.26 0.02 -1.63 -2.05 113.55 113.36 4trx h SER 44 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 4trx h SER 44 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 4trx h SER 44 CO 0.14 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.01 4trx n LEU 45 N -2.60 0.00 0.18 5.07 4.77 -1.24 -2.86 117.00 120.31 4trx n LEU 45 Ca -0.00 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 4trx n LEU 45 Cb 0.17 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 4trx n LEU 45 CO 0.19 -0.33 0.70 -1.28 -1.33 0.00 0.00 177.39 175.35 4trx h SER 46 N 0.00 -0.65 0.13 -1.43 0.87 -1.62 -2.47 113.55 108.39 4trx h SER 46 Ca 0.00 0.06 -0.27 0.00 -1.23 0.00 0.00 61.79 60.35 4trx h SER 46 Cb 0.08 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 4trx h SER 46 CO 0.00 -0.36 -1.35 -0.33 -0.53 0.00 0.00 176.83 174.26 4trx h GLU 47 N -0.53 0.28 -0.17 2.24 3.07 -1.79 -3.39 114.58 114.28 4trx h GLU 47 Ca -0.01 -0.47 0.02 0.00 -0.50 0.00 0.00 59.36 58.40 4trx h GLU 47 Cb 0.48 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.53 4trx h GLU 47 CO -0.04 1.23 -0.24 -0.22 -1.40 0.00 0.00 179.01 178.33 4trx h LYS 48 N -0.26 -0.17 -5.11 2.33 1.63 -1.59 -3.34 116.57 110.05 4trx h LYS 48 Ca -0.28 0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 58.86 4trx h LYS 48 Cb 1.79 0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 33.29 4trx h LYS 48 CO 0.09 -0.11 -0.09 0.71 -3.45 0.00 0.00 179.45 176.60 4trx s TYR 49 N -4.16 3.15 -0.12 1.91 2.02 -0.93 -4.89 117.35 114.33 4trx s TYR 49 Ca -0.06 -0.11 0.21 0.00 -0.37 0.00 0.00 57.07 56.74 4trx s TYR 49 Cb 0.04 -2.99 -0.20 0.00 -0.40 0.00 0.00 41.96 38.40 4trx s TYR 49 CO 0.27 -0.67 0.64 -1.13 -1.57 0.00 0.00 175.55 173.08 4trx n SER 50 N 5.78 0.39 -1.94 2.29 3.41 -1.26 -4.13 113.62 118.17 4trx n SER 50 Ca -0.05 0.16 -0.19 0.00 -0.26 0.00 0.00 58.87 58.53 4trx n SER 50 Cb 0.48 1.10 0.13 0.00 -0.26 0.00 0.00 64.21 65.65 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 -2.56 3.86 -3.84 4.04 5.15 -1.26 -4.87 115.26 115.78 4trx n ASN 51 Ca -0.08 -3.23 -0.12 0.00 -0.60 0.00 0.00 54.58 50.55 4trx n ASN 51 Cb 0.70 -0.78 -0.11 0.00 -0.53 0.00 0.00 39.78 39.06 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 -2.57 0.05 0.04 3.44 1.01 -1.26 -4.68 120.40 116.42 4trx s VAL 52 Ca 0.43 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 4trx s VAL 52 Cb 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 4trx s VAL 52 CO 0.07 -0.21 0.17 -0.63 0.00 0.00 0.00 175.10 174.50 4trx s ILE 53 N -0.73 5.19 -0.06 2.22 1.09 -1.03 -4.71 121.20 123.17 4trx s ILE 53 Ca -0.08 -0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 4trx s ILE 53 Cb -0.05 -3.48 0.03 0.00 -1.06 0.00 0.00 42.46 37.90 4trx s ILE 53 CO 0.01 0.21 0.00 -0.36 -0.10 0.00 0.00 174.94 174.70 4trx s PHE 54 N -1.41 0.59 0.46 3.97 0.08 -1.26 -2.68 117.98 117.73 4trx s PHE 54 Ca 0.31 -0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.32 4trx s PHE 54 Cb -0.13 -0.72 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 4trx s PHE 54 CO 0.23 -0.28 0.60 -0.51 -0.10 0.00 0.00 175.22 175.16 4trx s LEU 55 N 1.75 3.47 -0.26 -0.37 1.02 -0.41 0.10 118.68 123.98 4trx s LEU 55 Ca 0.01 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 53.56 4trx s LEU 55 Cb -0.13 -2.30 0.12 0.00 0.02 0.00 0.00 46.19 43.91 4trx s LEU 55 CO -0.04 -0.90 0.27 -1.61 0.02 0.00 0.00 176.35 174.09 4trx s GLU 56 N -4.40 0.27 -0.11 1.70 2.02 0.12 -2.73 118.70 115.57 4trx s GLU 56 Ca 0.55 0.01 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 4trx s GLU 56 Cb -0.08 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 4trx s GLU 56 CO 0.34 -0.87 0.09 0.08 0.02 0.00 0.00 175.26 174.92 4trx s VAL 57 N 2.35 5.10 -0.30 2.63 1.01 -0.99 -2.26 120.40 127.94 4trx s VAL 57 Ca 0.09 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 4trx s VAL 57 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 4trx s VAL 57 CO -0.25 0.61 0.15 -0.62 0.00 0.00 0.00 175.10 174.99 4trx s ASP 58 N -0.94 5.59 0.00 3.32 2.15 -1.26 -2.41 116.67 123.13 4trx s ASP 58 Ca 0.14 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.75 4trx s ASP 58 Cb -0.12 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 4trx s ASP 58 CO 0.03 -0.14 0.65 1.33 -0.17 0.00 0.00 175.17 176.87 4trx n VAL 59 N 5.00 0.54 0.00 1.11 0.24 -0.97 -1.50 118.33 122.74 4trx n VAL 59 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 4trx n VAL 59 Cb 0.50 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.47 3.20 -0.00 -1.34 2.03 -1.26 -4.63 116.55 115.03 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 0.32 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 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 -2.48 1.11 -2.12 1.67 2.03 -1.17 -4.51 116.55 111.07 4trx n ASP 61 Ca 0.00 -0.45 -0.24 0.00 0.52 0.00 0.00 54.79 54.63 4trx n ASP 61 Cb 0.46 1.32 0.02 0.00 -0.72 0.00 0.00 41.12 42.20 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 -0.67 0.03 -0.02 0.00 6.02 -1.26 -1.72 117.38 119.76 4trx n GLN 63 Ca 0.42 0.47 -0.11 0.00 -0.01 0.00 0.00 57.00 57.77 4trx n GLN 63 Cb 0.92 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 30.42 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 -0.06 -0.61 1.08 2.03 -1.93 -2.38 116.42 114.56 4trx h ASP 64 Ca 0.00 -0.59 -0.01 0.00 -0.73 0.00 0.00 57.03 55.70 4trx h ASP 64 Cb 0.15 0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.64 4trx h ASP 64 CO 0.00 0.67 0.36 0.58 -1.03 0.00 0.00 179.24 179.81 4trx h VAL 65 N -0.89 1.19 0.06 4.15 2.07 -1.71 -2.13 116.25 118.99 4trx h VAL 65 Ca -0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.08 4trx h VAL 65 Cb 0.64 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 4trx h VAL 65 CO 0.01 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.74 4trx h ALA 66 N 1.18 -0.11 0.00 1.67 0.00 -1.60 0.11 119.26 120.50 4trx h ALA 66 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 4trx h ALA 66 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 4trx h ALA 66 CO -0.04 -0.57 0.00 0.45 0.00 0.00 0.00 179.25 179.09 4trx n SER 67 N -5.17 0.24 0.09 0.00 2.88 -0.89 -0.56 113.62 110.21 4trx n SER 67 Ca -0.07 0.61 -0.14 0.00 -1.33 0.00 0.00 58.87 57.94 4trx n SER 67 Cb 0.10 -0.64 -0.14 0.00 -0.75 0.00 0.00 64.21 62.78 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 4.57 -0.11 -3.16 114.58 114.62 4trx h GLU 68 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 4trx h GLU 68 Cb 0.01 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 4trx h GLU 68 CO 0.00 1.15 -0.09 0.00 -1.18 0.00 0.00 179.01 178.89 4trx n GLU 70 N -0.24 -6.40 -1.89 0.00 1.02 -0.89 -4.98 120.64 107.26 4trx n GLU 70 Ca 0.17 0.83 -0.31 0.00 -0.02 0.00 0.00 57.16 57.82 4trx n GLU 70 Cb 0.33 -5.80 0.01 0.00 -0.02 0.00 0.00 31.44 25.96 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 -3.39 4.70 0.00 2.62 1.01 -1.22 -4.98 120.40 119.13 4trx s VAL 71 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.88 4trx s VAL 71 Cb -0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 4trx s VAL 71 CO 0.74 -1.13 0.72 0.29 0.00 0.00 0.00 175.10 175.72 4trx n LYS 72 N -2.70 0.00 -3.58 2.72 5.02 -1.26 -4.96 118.16 113.40 4trx n LYS 72 Ca 0.06 -0.66 0.03 0.00 -2.02 0.00 0.00 58.31 55.72 4trx n LYS 72 Cb 0.54 -0.40 -0.06 0.00 -0.02 0.00 0.00 35.03 35.09 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 1.14 4.55 0.51 0.00 -4.23 -1.26 -4.07 115.64 112.28 4trx s THR 74 Ca -0.07 -0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 59.28 4trx s THR 74 Cb -0.02 -3.29 -0.08 0.00 1.34 0.00 0.00 72.50 70.45 4trx s THR 74 CO -0.10 -0.06 1.00 -2.16 -0.54 0.00 0.00 174.62 172.76 4trx s PRO 75 N -2.96 3.86 -0.11 3.99 0.04 -1.26 -4.90 135.00 133.66 4trx s PRO 75 Ca 0.31 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 4trx s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.35 4trx s PRO 75 CO 0.23 -0.35 -0.02 0.99 0.04 0.00 0.00 177.00 177.90 4trx s THR 76 N -2.46 0.65 -0.10 1.26 2.01 -0.06 -2.62 115.64 114.33 4trx s THR 76 Ca 0.61 -0.15 -0.17 0.00 0.31 0.00 0.00 61.69 62.30 4trx s THR 76 Cb -0.11 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 4trx s THR 76 CO 0.28 0.22 0.43 -0.36 -0.69 0.00 0.00 174.62 174.50 4trx s PHE 77 N 1.85 3.55 0.10 4.92 0.08 -0.92 -1.34 117.98 126.22 4trx s PHE 77 Ca 0.04 0.85 0.09 0.00 0.12 0.00 0.00 56.93 58.03 4trx s PHE 77 Cb -0.13 -2.45 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 4trx s PHE 77 CO -0.07 0.29 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.46 4trx s GLN 78 N 0.22 1.25 -0.17 0.44 -0.21 -0.52 -1.73 119.66 118.94 4trx s GLN 78 Ca 0.24 -1.17 -0.00 0.00 0.02 0.00 0.00 55.36 54.44 4trx s GLN 78 Cb -0.15 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.31 4trx s GLN 78 CO 0.10 0.37 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.43 4trx s PHE 79 N -1.07 2.81 -0.04 0.91 0.40 0.99 -0.62 117.98 121.36 4trx s PHE 79 Ca 0.09 -1.19 0.07 0.00 -0.60 0.00 0.00 56.93 55.29 4trx s PHE 79 Cb -0.10 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 4trx s PHE 79 CO 0.04 -0.58 -0.25 -0.06 0.70 0.00 0.00 175.22 175.07 4trx s PHE 80 N 1.07 2.40 -0.16 0.36 0.08 0.61 -2.06 117.98 120.29 4trx s PHE 80 Ca -0.00 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.42 4trx s PHE 80 Cb -0.14 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 4trx s PHE 80 CO -0.04 -0.15 -0.13 0.21 -0.10 0.00 0.00 175.22 175.01 4trx s LYS 81 N -0.32 2.17 0.00 0.44 2.20 0.86 -1.43 119.74 123.66 4trx s LYS 81 Ca 0.01 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 4trx s LYS 81 Cb -0.12 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 4trx s LYS 81 CO 0.02 -0.29 0.00 1.63 -0.36 0.00 0.00 175.35 176.35 4trx n LYS 82 N 4.77 -1.06 0.00 4.03 5.02 -1.24 -0.02 118.16 129.66 4trx n LYS 82 Ca -0.16 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 4trx n LYS 82 Cb 0.49 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 31.03 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 -0.33 1.71 3.79 0.72 0.00 -1.26 -4.95 105.19 104.87 4trx n GLY 83 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 3.98 0.16 1.61 -1.52 0.97 -5.03 119.66 119.61 4trx s GLN 84 Ca 0.00 0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.13 4trx s GLN 84 Cb 0.00 -3.33 -0.08 0.00 -0.22 0.00 0.00 33.01 29.38 4trx s GLN 84 CO 0.00 0.46 1.23 0.21 -0.25 0.00 0.00 175.29 176.94 4trx s LYS 85 N -0.19 4.45 0.00 2.91 2.20 -1.26 -0.10 119.74 127.75 4trx s LYS 85 Ca 0.16 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 4trx s LYS 85 Cb -0.13 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 4trx s LYS 85 CO 0.04 -0.17 0.00 1.33 -0.36 0.00 0.00 175.35 176.20 4trx n VAL 86 N 2.85 0.00 -3.90 4.02 0.24 -0.87 -4.92 118.33 115.75 4trx n VAL 86 Ca 0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 4trx n VAL 86 Cb 0.44 -0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.47 0.11 -0.29 7.63 0.00 -1.22 -5.02 107.32 107.05 4trx s GLY 87 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 4trx s GLY 87 CO 0.00 -0.42 0.85 1.85 0.00 0.00 0.00 173.10 175.38 4trx s GLU 88 N -1.57 0.45 -0.12 2.90 2.12 -1.26 -0.01 118.70 121.20 4trx s GLU 88 Ca -0.14 0.99 -0.07 0.00 0.36 0.00 0.00 54.97 56.11 4trx s GLU 88 Cb -0.07 0.45 0.05 0.00 0.26 0.00 0.00 34.13 34.81 4trx s GLU 88 CO 0.00 -0.13 0.30 -0.59 -0.54 0.00 0.00 175.26 174.30 4trx s PHE 89 N 2.23 -0.41 0.34 5.30 -0.12 -0.71 -5.03 117.98 119.59 4trx s PHE 89 Ca -0.06 0.93 0.09 0.00 -0.05 0.00 0.00 56.93 57.84 4trx s PHE 89 Cb -0.07 0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 4trx s PHE 89 CO -0.18 -0.25 0.03 -1.54 -0.05 0.00 0.00 175.22 173.23 4trx s SER 90 N 1.12 4.24 0.00 1.98 1.04 -1.26 -2.17 113.70 118.64 4trx s SER 90 Ca -0.08 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.38 4trx s SER 90 Cb -0.08 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.48 4trx s SER 90 CO -0.08 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.50 4trx n GLY 91 N -0.98 4.30 3.56 7.32 0.00 -1.08 -4.94 105.19 113.38 4trx n GLY 91 Ca -0.04 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.22 0.50 -3.62 4.61 0.00 -1.26 -4.76 120.51 114.77 4trx n ALA 92 Ca 0.00 -2.40 -0.12 0.00 0.00 0.00 0.00 53.44 50.92 4trx n ALA 92 Cb 0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 19.45 15.91 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 8.07 0.28 -0.24 0.00 3.04 -1.26 -5.03 114.94 119.80 4trx s ASN 93 Ca 0.78 0.59 -0.01 0.00 0.04 0.00 0.00 52.86 54.26 4trx s ASN 93 Cb -0.02 0.88 -0.15 0.00 -1.54 0.00 0.00 41.25 40.42 4trx s ASN 93 CO 0.20 -0.25 -0.23 2.29 -3.04 0.00 0.00 177.10 176.07 4trx n LYS 94 N 5.36 0.59 0.20 0.43 0.00 -1.26 -4.27 118.16 119.21 4trx n LYS 94 Ca -0.06 0.16 0.10 0.00 -0.00 0.00 0.00 58.31 58.50 4trx n LYS 94 Cb 0.50 -1.47 0.54 0.00 -0.00 0.00 0.00 35.03 34.60 4trx n LYS 94 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 4trx h GLU 95 N -0.15 0.00 0.12 -1.58 5.08 -2.00 0.21 114.58 116.27 4trx h GLU 95 Ca -0.56 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.53 4trx h GLU 95 Cb 1.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.05 4trx h GLU 95 CO -0.13 0.00 -1.21 -0.22 -1.00 0.00 0.00 179.01 176.44 4trx h LYS 96 N 0.00 0.39 -0.17 2.33 3.64 -2.00 -3.35 116.57 117.41 4trx h LYS 96 Ca 0.00 -0.58 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 4trx h LYS 96 Cb 0.39 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 4trx h LYS 96 CO 0.00 1.25 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.82 4trx h LEU 97 N 0.14 -1.71 -0.09 5.20 3.38 -0.78 0.23 115.31 121.68 4trx h LEU 97 Ca -0.15 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.04 4trx h LEU 97 Cb 1.91 0.67 -0.01 0.00 0.09 0.00 0.00 40.66 43.32 4trx h LEU 97 CO 0.21 -0.46 -0.06 -0.08 0.09 0.00 0.00 178.44 178.14 4trx h GLU 98 N -0.55 -0.01 -0.96 1.13 4.57 -1.69 0.49 114.58 117.56 4trx h GLU 98 Ca 0.04 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 4trx h GLU 98 Cb 0.66 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.16 4trx h GLU 98 CO -0.45 -0.01 0.59 0.00 -1.18 0.00 0.00 179.01 177.96 4trx h ALA 99 N -0.91 1.46 -0.94 2.92 0.00 -1.66 -0.12 119.26 120.00 4trx h ALA 99 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 4trx h ALA 99 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 4trx h ALA 99 CO -0.09 0.16 0.61 1.15 0.00 0.00 0.00 179.25 181.08 4trx h THR 100 N 0.91 1.16 -0.16 0.00 2.02 0.20 -1.62 112.91 115.42 4trx h THR 100 Ca 0.49 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 4trx h THR 100 Cb 0.52 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 4trx h THR 100 CO -0.28 0.22 0.09 0.40 0.37 0.00 0.00 175.52 176.31 4trx h ILE 101 N 1.19 1.11 0.00 3.11 2.04 0.17 0.13 117.51 125.26 4trx h ILE 101 Ca 0.37 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.94 4trx h ILE 101 Cb -0.00 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 4trx h ILE 101 CO -0.12 0.10 0.07 -3.20 0.00 0.00 0.00 178.15 175.00 4trx n ASN 102 N -4.92 0.43 -0.02 1.72 5.15 -0.77 0.38 115.26 117.23 4trx n ASN 102 Ca -0.04 0.67 -0.13 0.00 -0.60 0.00 0.00 54.58 54.48 4trx n ASN 102 Cb 0.08 -0.71 -0.10 0.00 -0.53 0.00 0.00 39.78 38.52 4trx n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 4trx h GLU 103 N 0.00 -0.03 -0.02 1.20 4.57 0.18 -3.33 114.58 117.14 4trx h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 4trx h GLU 103 Cb 0.14 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 4trx h GLU 103 CO 0.00 0.62 -0.35 1.28 -1.18 0.00 0.00 179.01 179.38 4trx n LEU 104 N -4.78 2.26 0.00 1.64 4.77 -0.62 -5.12 117.00 115.16 4trx n LEU 104 Ca -0.09 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 4trx n LEU 104 Cb 0.33 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 4trx n LEU 104 CO 0.32 0.41 0.13 0.55 -1.33 0.00 0.00 177.39 177.46