#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 2.27 -3.78 2.03 0.31 -1.26 -4.63 118.33 113.27 4trx n VAL 2 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 4trx n VAL 2 Cb 0.00 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.03 0.13 -0.10 5.55 2.47 -0.85 -4.99 119.74 119.93 4trx s LYS 3 Ca 0.68 0.30 -0.20 0.00 -1.56 0.00 0.00 55.97 55.19 4trx s LYS 3 Cb -0.48 -0.05 -0.04 0.00 -1.46 0.00 0.00 37.83 35.80 4trx s LYS 3 CO 0.55 -0.10 0.55 -1.14 0.16 0.00 0.00 175.35 175.37 4trx s GLN 4 N 0.67 4.37 1.08 4.03 0.74 -1.26 -0.81 119.66 128.48 4trx s GLN 4 Ca -0.05 0.58 -0.18 0.00 0.05 0.00 0.00 55.36 55.76 4trx s GLN 4 Cb -0.07 -3.44 0.27 0.00 1.10 0.00 0.00 33.01 30.87 4trx s GLN 4 CO -0.03 0.12 0.92 -0.89 -0.55 0.00 0.00 175.29 174.86 4trx n ILE 5 N 3.72 0.00 0.00 -2.34 2.08 -0.79 -4.93 119.36 117.09 4trx n ILE 5 Ca -0.05 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.89 4trx n ILE 5 Cb 0.51 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 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 -4.48 0.00 -1.16 0.38 1.02 -1.26 -4.93 120.64 110.21 4trx n GLU 6 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 4trx n GLU 6 Cb 0.51 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 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 -2.28 0.00 0.10 1.62 3.41 -1.26 -4.73 113.62 110.48 4trx n SER 7 Ca 0.00 -0.86 -0.12 0.00 -0.26 0.00 0.00 58.87 57.63 4trx n SER 7 Cb 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.28 -1.09 4.33 3.64 -1.96 -1.06 116.57 120.15 4trx h LYS 8 Ca 0.00 0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.70 4trx h LYS 8 Cb 0.00 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 4trx h LYS 8 CO 0.00 0.09 0.74 1.15 -2.27 0.00 0.00 179.45 179.16 4trx h THR 9 N -0.75 0.47 0.14 1.00 2.02 -2.01 -0.84 112.91 112.95 4trx h THR 9 Ca -0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 4trx h THR 9 Cb 0.50 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 4trx h THR 9 CO 0.05 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.91 4trx h ALA 10 N 1.53 -0.19 -1.42 6.16 0.00 -1.92 -3.04 119.26 120.38 4trx h ALA 10 Ca 0.57 -0.21 0.41 0.00 0.00 0.00 0.00 54.91 55.68 4trx h ALA 10 Cb 1.85 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 4trx h ALA 10 CO -0.15 -0.23 1.15 0.35 0.00 0.00 0.00 179.25 180.37 4trx h PHE 11 N -0.94 0.00 0.03 0.00 3.57 0.19 0.34 116.94 120.12 4trx h PHE 11 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 4trx h PHE 11 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 4trx h PHE 11 CO 0.08 0.00 -0.02 1.96 -2.23 0.00 0.00 178.31 178.11 4trx h GLN 12 N 0.00 -0.04 -0.61 1.11 1.08 -1.41 -3.23 115.11 112.00 4trx h GLN 12 Ca 0.67 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.95 4trx h GLN 12 Cb 2.96 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 30.34 4trx h GLN 12 CO -0.01 0.64 0.28 0.93 -0.95 0.00 0.00 178.83 179.73 4trx h GLU 13 N -0.86 0.49 -0.50 1.46 4.39 -0.26 -1.92 114.58 117.39 4trx h GLU 13 Ca -0.00 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.76 4trx h GLU 13 Cb 0.71 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 4trx h GLU 13 CO 0.01 0.32 0.04 0.00 -1.16 0.00 0.00 179.01 178.22 4trx h ALA 14 N 1.38 0.51 0.00 3.43 0.00 -1.40 0.72 119.26 123.90 4trx h ALA 14 Ca 0.30 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.34 4trx h ALA 14 Cb 0.30 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 4trx h ALA 14 CO -0.25 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 179.92 4trx n LEU 15 N -5.19 0.25 0.04 0.00 4.77 -0.78 -1.70 117.00 114.39 4trx n LEU 15 Ca 0.05 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 4trx n LEU 15 Cb 0.26 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 4trx n LEU 15 CO 0.17 -0.40 -0.40 -0.67 -1.33 0.00 0.00 177.39 174.76 4trx n ASP 16 N -1.78 0.39 -0.75 -1.43 2.03 0.22 -4.08 116.55 111.16 4trx n ASP 16 Ca 0.03 0.15 0.10 0.00 0.52 0.00 0.00 54.79 55.58 4trx n ASP 16 Cb 0.17 1.29 0.07 0.00 -0.72 0.00 0.00 41.12 41.93 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 -2.22 2.63 0.04 -1.67 0.00 0.47 -4.23 120.51 115.53 4trx n ALA 17 Ca -0.02 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 52.85 4trx n ALA 17 Cb 0.56 -0.69 0.26 0.00 0.00 0.00 0.00 19.45 19.58 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 0.93 2.76 -0.67 0.00 0.00 -0.69 -5.00 120.51 117.85 4trx n ALA 18 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.44 4trx n ALA 18 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.09 1.98 0.00 0.00 0.00 -1.26 -2.80 105.19 104.21 4trx n GLY 19 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 8.74 0.06 -4.58 1.61 5.68 -1.26 -4.40 116.55 122.40 4trx n ASP 20 Ca 0.00 -0.62 -0.35 0.00 -0.50 0.00 0.00 54.79 53.32 4trx n ASP 20 Cb 0.00 0.04 0.10 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.04 0.23 -1.51 0.11 5.02 -1.12 -4.53 118.16 116.31 4trx n LYS 21 Ca 0.00 0.14 -0.52 0.00 -2.02 0.00 0.00 58.31 55.91 4trx n LYS 21 Cb 0.13 -2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 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 -1.94 0.37 -3.82 -0.35 4.77 -1.26 -4.72 117.00 110.05 4trx n LEU 22 Ca 0.12 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.94 4trx n LEU 22 Cb 0.50 -1.06 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 4trx n LEU 22 CO 0.49 -1.89 -0.27 -0.69 -1.33 0.00 0.00 177.39 173.70 4trx s VAL 23 N -0.31 1.67 -0.26 4.08 1.01 -0.90 -1.45 120.40 124.24 4trx s VAL 23 Ca 0.77 -2.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 4trx s VAL 23 Cb -1.01 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 4trx s VAL 23 CO 0.55 -0.77 0.21 -0.69 0.00 0.00 0.00 175.10 174.40 4trx s VAL 24 N 0.64 5.31 0.12 2.92 1.01 -1.07 -0.23 120.40 129.10 4trx s VAL 24 Ca 0.14 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 4trx s VAL 24 Cb -0.22 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 4trx s VAL 24 CO -0.07 0.27 0.31 -0.69 0.00 0.00 0.00 175.10 174.92 4trx s VAL 25 N 1.52 5.27 -0.56 2.92 1.01 0.58 -2.55 120.40 128.58 4trx s VAL 25 Ca 0.09 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.87 4trx s VAL 25 Cb -0.15 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.72 4trx s VAL 25 CO 0.08 0.03 0.32 -0.62 0.00 0.00 0.00 175.10 174.91 4trx s ASP 26 N -2.64 4.41 -0.70 3.32 2.15 -0.82 -1.81 116.67 120.58 4trx s ASP 26 Ca 0.38 -3.21 -0.27 0.00 0.43 0.00 0.00 52.55 49.88 4trx s ASP 26 Cb -0.12 -1.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.89 4trx s ASP 26 CO 0.27 -0.20 1.45 -0.36 -0.17 0.00 0.00 175.17 176.17 4trx s PHE 27 N -0.56 2.10 0.31 -5.34 0.08 -0.41 -2.60 117.98 111.56 4trx s PHE 27 Ca 0.19 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.39 4trx s PHE 27 Cb -0.21 -4.47 -0.00 0.00 -0.57 0.00 0.00 43.02 37.77 4trx s PHE 27 CO -0.04 -2.15 0.45 -1.54 -0.10 0.00 0.00 175.22 171.84 4trx s SER 28 N 5.03 0.57 -0.06 1.36 1.04 -0.97 -0.46 113.70 120.21 4trx s SER 28 Ca 0.45 -1.33 -0.15 0.00 0.48 0.00 0.00 55.95 55.40 4trx s SER 28 Cb -0.09 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 4trx s SER 28 CO 0.17 -1.22 0.39 0.00 0.98 0.00 0.00 173.24 173.55 4trx s ALA 29 N -3.39 3.64 0.00 5.32 0.00 -1.26 -2.27 121.76 123.80 4trx s ALA 29 Ca 0.29 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.05 4trx s ALA 29 Cb 0.00 -2.42 -0.23 0.00 0.00 0.00 0.00 23.12 20.47 4trx s ALA 29 CO 0.16 0.32 0.83 0.00 0.00 0.00 0.00 175.76 177.07 4trx h THR 30 N 4.11 1.10 -0.06 0.00 1.03 -1.93 -3.28 112.91 113.87 4trx h THR 30 Ca -0.48 -2.88 -0.04 0.00 -0.01 0.00 0.00 66.41 63.01 4trx h THR 30 Cb 1.20 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 4trx h THR 30 CO 0.67 0.68 -0.12 4.11 -0.01 0.00 0.00 175.52 180.85 4trx h TRP 31 N 0.01 0.24 -3.19 0.00 5.08 -2.01 -3.45 115.95 112.63 4trx h TRP 31 Ca -0.22 -0.09 -0.51 0.00 1.08 0.00 0.00 58.89 59.15 4trx h TRP 31 Cb 1.95 -0.04 0.22 0.00 -3.00 0.00 0.00 29.16 28.29 4trx h TRP 31 CO 0.01 0.71 -0.66 0.00 -1.28 0.00 0.00 178.44 177.23 4trx n GLY 33 N 1.58 -0.59 0.39 0.00 0.00 -1.26 -3.81 105.19 101.49 4trx n GLY 33 Ca 0.05 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.23 0.00 0.18 1.61 0.11 -1.96 0.26 132.00 131.96 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 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 4trx h PRO 34 CO 0.00 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 177.70 4trx n LYS 36 N -4.92 0.94 0.21 0.00 4.81 -0.28 -2.81 118.16 116.11 4trx n LYS 36 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.51 4trx n LYS 36 Cb 0.20 -1.00 0.22 0.00 0.02 0.00 0.00 35.03 34.47 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 -1.02 1.64 4.05 -0.53 -3.07 114.93 116.00 4trx h MET 37 Ca 0.00 0.00 -0.43 0.00 -0.28 0.00 0.00 59.70 58.99 4trx h MET 37 Cb 0.00 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 30.55 4trx h MET 37 CO 0.00 0.00 0.55 -0.89 0.23 0.00 0.00 176.91 176.80 4trx n ILE 38 N -3.02 2.84 0.02 1.77 5.41 -1.12 -4.43 119.36 120.83 4trx n ILE 38 Ca 0.04 -1.65 -0.21 0.00 1.00 0.00 0.00 62.75 61.93 4trx n ILE 38 Cb 0.51 -0.65 -0.14 0.00 -0.71 0.00 0.00 39.64 38.65 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 0.92 0.25 0.00 0.38 3.64 -1.77 -3.11 116.57 116.88 4trx h LYS 39 Ca 0.51 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 4trx h LYS 39 Cb 2.33 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 34.31 4trx h LYS 39 CO 0.94 1.21 0.00 -2.30 -2.27 0.00 0.00 179.45 177.03 4trx n PRO 40 N -4.00 0.10 -0.10 1.90 -0.02 -1.26 0.50 135.00 132.11 4trx n PRO 40 Ca -0.22 0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.14 4trx n PRO 40 Cb 0.87 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.78 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 -1.10 0.00 0.05 6.00 3.72 -1.24 -3.98 117.46 120.91 4trx n PHE 41 Ca 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 4trx n PHE 41 Cb 0.02 -0.71 -0.08 0.00 -0.94 0.00 0.00 39.48 37.77 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 -0.70 0.00 0.00 1.38 3.57 -1.41 -3.33 116.94 116.46 4trx h PHE 42 Ca -0.50 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 60.88 4trx h PHE 42 Cb 1.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 4trx h PHE 42 CO -0.06 0.76 -0.91 1.25 -2.23 0.00 0.00 178.31 177.12 4trx h HIS 43 N 0.00 0.00 0.00 0.41 2.76 -0.20 -3.27 115.15 114.85 4trx h HIS 43 Ca -0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 4trx h HIS 43 Cb 1.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.64 4trx h HIS 43 CO 0.00 0.45 0.00 -1.13 -1.30 0.00 0.00 177.93 175.95 4trx n SER 44 N -3.01 0.00 0.05 3.26 3.41 -1.22 -2.70 113.62 113.41 4trx n SER 44 Ca -0.03 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.25 4trx n SER 44 Cb 0.75 -0.13 0.35 0.00 -0.26 0.00 0.00 64.21 64.91 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 -1.13 0.54 0.18 1.04 4.77 -1.23 -3.66 117.00 117.51 4trx n LEU 45 Ca 0.16 0.34 0.18 0.00 -0.03 0.00 0.00 56.01 56.65 4trx n LEU 45 Cb 0.14 -0.30 0.81 0.00 -2.33 0.00 0.00 43.42 41.74 4trx n LEU 45 CO 0.16 -0.04 1.15 -1.28 -1.33 0.00 0.00 177.39 176.05 4trx h SER 46 N 0.00 0.00 0.01 -1.43 0.87 -1.74 -1.50 113.55 109.76 4trx h SER 46 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 4trx h SER 46 Cb 0.64 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 4trx h SER 46 CO 0.00 0.00 -1.95 -0.62 -0.53 0.00 0.00 176.83 173.73 4trx n GLU 47 N -3.82 0.60 0.00 2.24 1.02 -1.24 -4.54 120.64 114.91 4trx n GLU 47 Ca 0.03 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 4trx n GLU 47 Cb 0.37 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 4trx n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 4trx n LYS 48 N -4.15 0.00 -2.74 3.49 4.81 -1.02 -4.11 118.16 114.44 4trx n LYS 48 Ca -0.42 0.57 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 4trx n LYS 48 Cb 0.83 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 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 -2.89 2.57 -2.05 5.64 2.02 -0.60 -4.82 117.35 117.22 4trx s TYR 49 Ca 0.00 -0.23 0.25 0.00 -0.37 0.00 0.00 57.07 56.72 4trx s TYR 49 Cb 0.00 -4.37 0.43 0.00 -0.40 0.00 0.00 41.96 37.62 4trx s TYR 49 CO 0.00 -1.73 1.37 -1.13 -1.57 0.00 0.00 175.55 172.49 4trx n SER 50 N 8.23 1.65 -0.01 2.29 3.41 -1.26 -4.00 113.62 123.94 4trx n SER 50 Ca 0.00 -1.30 0.11 0.00 -0.26 0.00 0.00 58.87 57.42 4trx n SER 50 Cb 0.47 0.25 -0.17 0.00 -0.26 0.00 0.00 64.21 64.50 4trx n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4trx n ASN 51 N -0.14 0.09 -4.90 4.04 4.05 -1.26 -4.96 115.26 112.18 4trx n ASN 51 Ca 0.12 -0.01 -0.28 0.00 0.45 0.00 0.00 54.58 54.85 4trx n ASN 51 Cb 0.42 1.97 -0.03 0.00 1.23 0.00 0.00 39.78 43.37 4trx n ASN 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 4trx s VAL 52 N -3.49 4.97 -0.08 3.44 1.01 -1.26 -4.74 120.40 120.27 4trx s VAL 52 Ca -0.08 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 4trx s VAL 52 Cb 0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 4trx s VAL 52 CO 0.90 -0.45 0.05 -0.63 0.00 0.00 0.00 175.10 174.97 4trx s ILE 53 N -2.25 4.71 -0.04 2.22 -1.09 -0.53 -5.02 121.20 119.20 4trx s ILE 53 Ca 0.45 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 4trx s ILE 53 Cb -0.10 -3.04 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 4trx s ILE 53 CO 0.33 0.55 -0.12 -0.36 -1.23 0.00 0.00 174.94 174.11 4trx s PHE 54 N -0.99 1.27 0.18 3.97 0.08 -1.26 -2.60 117.98 118.63 4trx s PHE 54 Ca 0.16 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.90 4trx s PHE 54 Cb -0.12 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 4trx s PHE 54 CO 0.05 -0.17 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.35 4trx s LEU 55 N 0.31 2.50 -0.04 -0.37 1.02 -1.06 -2.00 118.68 119.05 4trx s LEU 55 Ca -0.07 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.14 4trx s LEU 55 Cb -0.12 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.44 4trx s LEU 55 CO 0.02 -0.14 -0.05 -0.70 0.02 0.00 0.00 176.35 175.49 4trx s GLU 56 N -3.30 0.85 -0.07 1.70 2.12 0.01 -1.94 118.70 118.08 4trx s GLU 56 Ca 0.18 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.44 4trx s GLU 56 Cb -0.02 -0.84 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 4trx s GLU 56 CO 0.06 -0.06 -0.24 0.08 -0.54 0.00 0.00 175.26 174.56 4trx s VAL 57 N 0.81 2.11 -0.31 3.70 1.01 -1.07 -1.89 120.40 124.76 4trx s VAL 57 Ca -0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 4trx s VAL 57 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 4trx s VAL 57 CO 0.00 0.57 0.36 -0.62 0.00 0.00 0.00 175.10 175.41 4trx s ASP 58 N -0.09 6.19 0.00 3.32 2.15 -1.25 -2.30 116.67 124.69 4trx s ASP 58 Ca -0.06 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.88 4trx s ASP 58 Cb -0.14 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 4trx s ASP 58 CO 0.04 -0.27 1.07 1.33 -0.17 0.00 0.00 175.17 177.17 4trx n VAL 59 N 5.20 1.07 0.00 1.11 0.24 -0.96 -2.00 118.33 122.98 4trx n VAL 59 Ca -0.09 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 4trx n VAL 59 Cb 0.50 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 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 1.18 0.62 -0.64 -1.34 2.03 -1.26 -4.65 116.55 112.49 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 0.35 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.34 2.31 -1.50 1.67 2.03 -1.18 -4.39 116.55 113.16 4trx n ASP 61 Ca 0.00 -1.65 0.03 0.00 0.52 0.00 0.00 54.79 53.69 4trx n ASP 61 Cb 0.18 0.18 0.05 0.00 -0.72 0.00 0.00 41.12 40.82 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 0.09 0.06 0.06 0.00 6.02 -1.26 0.06 117.38 122.41 4trx n GLN 63 Ca 0.09 0.49 -0.05 0.00 -0.01 0.00 0.00 57.00 57.53 4trx n GLN 63 Cb 1.03 -1.92 0.16 0.00 1.02 0.00 0.00 30.24 30.53 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 0.37 0.53 1.08 2.03 -1.93 -0.05 116.42 118.46 4trx h ASP 64 Ca 0.00 -0.17 -0.29 0.00 -0.73 0.00 0.00 57.03 55.84 4trx h ASP 64 Cb 0.43 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.79 4trx h ASP 64 CO 0.00 0.78 -1.59 0.58 -1.03 0.00 0.00 179.24 177.98 4trx h VAL 65 N 0.28 1.02 -0.23 4.15 2.07 -0.75 -3.23 116.25 119.57 4trx h VAL 65 Ca 0.02 -2.80 -0.10 0.00 0.82 0.00 0.00 66.70 64.64 4trx h VAL 65 Cb 0.92 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 4trx h VAL 65 CO 0.08 0.66 -0.25 0.00 0.02 0.00 0.00 177.57 178.08 4trx h ALA 66 N 0.83 0.34 0.00 1.67 0.00 -1.41 -2.40 119.26 118.28 4trx h ALA 66 Ca -0.25 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.29 4trx h ALA 66 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 4trx h ALA 66 CO 0.10 0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.09 4trx n SER 67 N -4.37 0.00 0.01 0.00 7.64 -0.04 -1.81 113.62 115.06 4trx n SER 67 Ca -0.05 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 59.95 4trx n SER 67 Cb 0.44 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.44 -3.25 114.58 115.87 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 0.67 -0.06 0.00 -1.18 0.00 0.00 179.01 178.43 4trx n GLU 70 N 0.16 -4.99 -0.60 0.00 1.02 -1.04 -4.92 120.64 110.28 4trx n GLU 70 Ca 0.17 0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 57.60 4trx n GLU 70 Cb 0.39 -5.24 0.20 0.00 -0.02 0.00 0.00 31.44 26.78 4trx n GLU 70 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 4trx n VAL 71 N -4.44 0.00 -1.16 2.62 0.31 -1.22 -4.96 118.33 109.49 4trx n VAL 71 Ca -0.17 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 4trx n VAL 71 Cb 0.62 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 4trx n VAL 71 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 4trx n LYS 72 N -3.79 0.00 0.00 5.55 3.00 -1.26 -5.05 118.16 116.60 4trx n LYS 72 Ca 0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 4trx n LYS 72 Cb 0.55 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.16 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 5.24 0.56 0.00 -4.23 -1.26 -3.94 115.64 112.01 4trx s THR 74 Ca 0.00 -0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.17 4trx s THR 74 Cb 0.00 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 4trx s THR 74 CO 0.00 0.01 1.02 -2.16 -0.54 0.00 0.00 174.62 172.96 4trx s PRO 75 N -2.79 3.59 -0.17 3.99 0.04 -1.26 -4.88 135.00 133.52 4trx s PRO 75 Ca 0.39 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 4trx s PRO 75 Cb -0.12 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.39 4trx s PRO 75 CO 0.27 -0.57 -0.03 0.99 0.04 0.00 0.00 177.00 177.69 4trx s THR 76 N -2.59 0.98 -0.06 1.26 2.01 0.39 -2.58 115.64 115.04 4trx s THR 76 Ca 0.61 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.77 4trx s THR 76 Cb -0.13 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 4trx s THR 76 CO 0.36 0.03 0.58 -0.36 -0.69 0.00 0.00 174.62 174.55 4trx s PHE 77 N 1.68 3.60 0.08 4.92 0.08 -0.88 -1.28 117.98 126.17 4trx s PHE 77 Ca -0.00 1.11 0.08 0.00 0.12 0.00 0.00 56.93 58.23 4trx s PHE 77 Cb -0.16 -2.64 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 4trx s PHE 77 CO -0.07 0.22 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.41 4trx s GLN 78 N 0.36 1.22 -0.17 0.44 -0.21 -0.75 -1.63 119.66 118.93 4trx s GLN 78 Ca 0.31 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 4trx s GLN 78 Cb -0.17 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 4trx s GLN 78 CO 0.15 0.34 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.49 4trx s PHE 79 N -1.01 2.84 0.07 0.91 0.40 0.11 -0.31 117.98 121.01 4trx s PHE 79 Ca 0.07 -0.90 0.08 0.00 -0.60 0.00 0.00 56.93 55.58 4trx s PHE 79 Cb -0.09 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 4trx s PHE 79 CO 0.03 -0.42 -0.22 -0.06 0.70 0.00 0.00 175.22 175.26 4trx s PHE 80 N 0.85 1.91 -0.13 0.36 0.08 0.68 -1.94 117.98 119.79 4trx s PHE 80 Ca -0.04 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 4trx s PHE 80 Cb -0.15 -1.10 0.05 0.00 -0.57 0.00 0.00 43.02 41.26 4trx s PHE 80 CO 0.00 0.16 0.31 0.21 -0.10 0.00 0.00 175.22 175.80 4trx s LYS 81 N -1.51 0.26 0.00 0.44 2.20 -0.37 -2.12 119.74 118.65 4trx s LYS 81 Ca 0.08 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 4trx s LYS 81 Cb -0.09 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 4trx s LYS 81 CO 0.03 -0.18 0.00 1.17 -0.36 0.00 0.00 175.35 176.02 4trx n LYS 82 N 4.38 -1.60 -0.44 4.03 3.00 -1.26 -0.36 118.16 125.90 4trx n LYS 82 Ca -0.23 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 4trx n LYS 82 Cb 0.53 -4.61 0.00 0.00 0.00 0.00 0.00 35.03 30.95 4trx n LYS 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 4trx n GLY 83 N 0.38 1.57 2.84 3.14 0.00 -1.26 -5.05 105.19 106.81 4trx n GLY 83 Ca 0.00 -0.21 -0.14 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 -1.60 0.00 0.11 1.61 -0.21 0.52 -5.12 119.66 114.96 4trx s GLN 84 Ca 0.00 0.17 -0.31 0.00 0.02 0.00 0.00 55.36 55.24 4trx s GLN 84 Cb 0.00 -0.15 -0.08 0.00 1.00 0.00 0.00 33.01 33.78 4trx s GLN 84 CO 0.00 -0.12 1.41 0.21 -2.12 0.00 0.00 175.29 174.67 4trx s LYS 85 N 0.75 4.31 0.00 2.91 2.20 -1.26 -1.23 119.74 127.41 4trx s LYS 85 Ca -0.06 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 4trx s LYS 85 Cb -0.09 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 4trx s LYS 85 CO -0.02 -0.47 0.00 1.33 -0.36 0.00 0.00 175.35 175.82 4trx n VAL 86 N 4.04 0.00 -3.73 4.02 0.24 -0.82 -4.96 118.33 117.12 4trx n VAL 86 Ca 0.12 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 4trx n VAL 86 Cb 0.42 0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.41 -0.18 -0.30 7.63 0.00 -1.22 -5.01 107.32 106.83 4trx s GLY 87 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 4trx s GLY 87 CO 0.00 0.07 0.83 1.85 0.00 0.00 0.00 173.10 175.85 4trx s GLU 88 N -1.77 0.46 -0.12 2.90 2.12 -1.26 0.09 118.70 121.12 4trx s GLU 88 Ca -0.10 1.03 -0.07 0.00 0.36 0.00 0.00 54.97 56.19 4trx s GLU 88 Cb -0.03 0.47 0.05 0.00 0.26 0.00 0.00 34.13 34.88 4trx s GLU 88 CO 0.02 -0.14 0.28 -0.59 -0.54 0.00 0.00 175.26 174.29 4trx s PHE 89 N 2.28 -0.38 0.36 5.30 -0.12 -0.65 -5.03 117.98 119.74 4trx s PHE 89 Ca -0.06 0.87 0.08 0.00 -0.05 0.00 0.00 56.93 57.77 4trx s PHE 89 Cb -0.07 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 4trx s PHE 89 CO -0.18 -0.24 0.23 -1.54 -0.05 0.00 0.00 175.22 173.44 4trx s SER 90 N 1.09 4.89 0.00 1.98 1.04 -1.26 -2.07 113.70 119.37 4trx s SER 90 Ca -0.08 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.63 4trx s SER 90 Cb -0.08 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.29 4trx s SER 90 CO -0.08 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.35 4trx n GLY 91 N -1.29 4.02 1.31 7.32 0.00 -1.07 -4.84 105.19 110.64 4trx n GLY 91 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.48 2.61 -2.49 4.61 0.00 -1.26 -4.71 120.51 117.79 4trx n ALA 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 4trx n ALA 92 Cb 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 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 1.46 6.18 -0.17 0.00 3.04 -1.26 -4.90 114.94 119.29 4trx s ASN 93 Ca 0.00 -0.62 0.04 0.00 0.04 0.00 0.00 52.86 52.33 4trx s ASN 93 Cb 0.00 -2.21 -0.22 0.00 -1.54 0.00 0.00 41.25 37.28 4trx s ASN 93 CO 0.00 -0.51 0.16 2.29 -3.04 0.00 0.00 177.10 175.99 4trx n LYS 94 N 5.50 0.69 0.07 0.43 0.00 -1.26 -3.99 118.16 119.60 4trx n LYS 94 Ca -0.08 0.18 0.05 0.00 -0.00 0.00 0.00 58.31 58.46 4trx n LYS 94 Cb 0.48 -1.62 0.27 0.00 -0.00 0.00 0.00 35.03 34.15 4trx n LYS 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 4trx n GLU 95 N -3.19 0.06 0.06 -1.58 1.02 -1.26 -0.74 120.64 115.01 4trx n GLU 95 Ca -0.34 0.53 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 4trx n GLU 95 Cb 1.05 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 30.65 4trx n GLU 95 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4trx h LYS 96 N 0.00 0.09 -0.10 3.49 1.63 -1.98 -3.35 116.57 116.34 4trx h LYS 96 Ca 0.00 -0.16 0.03 0.00 -0.85 0.00 0.00 60.65 59.67 4trx h LYS 96 Cb 0.04 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 4trx h LYS 96 CO 0.00 1.00 -0.51 -0.07 -3.45 0.00 0.00 179.45 176.42 4trx h LEU 97 N 0.02 -1.61 0.00 5.20 3.38 -1.11 0.65 115.31 121.83 4trx h LEU 97 Ca -0.10 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.06 4trx h LEU 97 Cb 1.88 0.63 0.00 0.00 0.09 0.00 0.00 40.66 43.26 4trx h LEU 97 CO 0.14 -0.48 0.00 1.21 0.09 0.00 0.00 178.44 179.40 4trx n GLU 98 N -5.44 0.00 -0.29 1.13 2.13 -1.25 0.10 120.64 117.02 4trx n GLU 98 Ca -0.06 0.75 0.11 0.00 0.66 0.00 0.00 57.16 58.62 4trx n GLU 98 Cb 0.38 -1.33 0.26 0.00 0.27 0.00 0.00 31.44 31.02 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 -1.45 1.16 -0.66 4.31 0.00 -1.70 0.36 119.26 121.28 4trx h ALA 99 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.20 4trx h ALA 99 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 4trx h ALA 99 CO 0.00 -0.46 0.37 1.15 0.00 0.00 0.00 179.25 180.31 4trx h THR 100 N 0.18 0.98 -0.60 0.00 2.02 0.76 0.39 112.91 116.64 4trx h THR 100 Ca 0.52 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.47 4trx h THR 100 Cb 1.02 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 4trx h THR 100 CO -0.66 0.12 0.40 0.40 0.37 0.00 0.00 175.52 176.15 4trx h ILE 101 N 0.68 1.15 0.00 3.11 2.04 0.38 0.58 117.51 125.45 4trx h ILE 101 Ca 0.29 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.88 4trx h ILE 101 Cb 0.17 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 4trx h ILE 101 CO -0.17 0.15 0.00 -3.20 0.00 0.00 0.00 178.15 174.92 4trx n ASN 102 N -4.45 0.53 -0.04 1.72 2.85 0.07 0.17 115.26 116.11 4trx n ASN 102 Ca 0.06 0.68 -0.14 0.00 -0.11 0.00 0.00 54.58 55.08 4trx n ASN 102 Cb 0.05 -0.78 -0.11 0.00 1.24 0.00 0.00 39.78 40.18 4trx n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 4trx h GLU 103 N 0.00 0.03 -0.32 1.20 4.81 0.82 -3.33 114.58 117.79 4trx h GLU 103 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 4trx h GLU 103 Cb 0.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 4trx h GLU 103 CO 0.00 0.76 0.00 1.28 -0.73 0.00 0.00 179.01 180.32 4trx n LEU 104 N -4.70 3.18 0.00 1.64 4.77 -0.99 -5.13 117.00 115.76 4trx n LEU 104 Ca -0.09 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 4trx n LEU 104 Cb 0.38 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 4trx n LEU 104 CO 0.35 0.69 0.14 0.55 -1.33 0.00 0.00 177.39 177.78