#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be4 n ASN 3 N 0.00 3.00 -0.00 0.00 3.02 -1.26 -2.60 115.26 117.41 1be4 n ASN 3 Ca 0.00 -2.39 0.04 0.00 -0.03 0.00 0.00 54.58 52.20 1be4 n ASN 3 Cb 0.00 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 1be4 n ASN 3 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1be4 n SER 4 N 0.08 1.57 -4.43 6.41 7.64 -1.26 -3.96 113.62 119.67 1be4 n SER 4 Ca 0.14 -0.39 -0.45 0.00 1.01 0.00 0.00 58.87 59.18 1be4 n SER 4 Cb 0.75 1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 65.11 1be4 n SER 4 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1be4 n GLU 5 N -1.46 0.38 -4.49 1.43 2.13 -1.07 -4.56 120.64 113.00 1be4 n GLU 5 Ca 0.00 0.14 -0.23 0.00 0.66 0.00 0.00 57.16 57.73 1be4 n GLU 5 Cb 0.17 -1.26 -0.11 0.00 0.27 0.00 0.00 31.44 30.51 1be4 n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1be4 s ARG 6 N -1.22 1.72 -0.01 5.31 1.81 -1.26 -1.42 118.95 123.88 1be4 s ARG 6 Ca 0.62 -1.96 -0.17 0.00 -1.72 0.00 0.00 55.73 52.50 1be4 s ARG 6 Cb -0.79 -1.03 0.03 0.00 -0.45 0.00 0.00 34.95 32.71 1be4 s ARG 6 CO 0.58 -0.16 0.37 -0.08 -0.68 0.00 0.00 175.30 175.33 1be4 s THR 7 N -3.17 0.05 -0.12 0.02 -1.32 -1.05 -4.69 115.64 105.36 1be4 s THR 7 Ca 0.36 -0.41 -0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1be4 s THR 7 Cb 0.09 -0.70 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1be4 s THR 7 CO 0.16 -0.23 0.09 0.12 -2.21 0.00 0.00 174.62 172.55 1be4 s PHE 8 N -1.42 3.43 -0.07 9.09 5.36 -1.26 -1.94 117.98 131.17 1be4 s PHE 8 Ca -0.12 0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1be4 s PHE 8 Cb -0.04 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.77 1be4 s PHE 8 CO 0.04 0.60 0.15 0.42 -1.46 0.00 0.00 175.22 174.98 1be4 s ILE 9 N -0.84 -0.07 0.21 3.12 -1.09 -0.26 -1.06 121.20 121.21 1be4 s ILE 9 Ca 0.13 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1be4 s ILE 9 Cb -0.12 -0.25 -0.05 0.00 -1.58 0.00 0.00 42.46 40.46 1be4 s ILE 9 CO 0.03 0.08 -0.10 0.00 -1.23 0.00 0.00 174.94 173.72 1be4 s ALA 10 N 1.27 1.91 -0.20 9.38 0.00 -0.47 -0.87 121.76 132.77 1be4 s ALA 10 Ca -0.08 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.21 1be4 s ALA 10 Cb -0.12 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.12 1be4 s ALA 10 CO -0.06 -0.04 -0.10 0.42 0.00 0.00 0.00 175.76 175.97 1be4 s ILE 11 N -3.12 1.67 1.19 0.00 1.01 -0.60 0.72 121.20 122.07 1be4 s ILE 11 Ca 0.23 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1be4 s ILE 11 Cb 0.02 -1.74 0.29 0.00 0.01 0.00 0.00 42.46 41.03 1be4 s ILE 11 CO 0.06 0.17 1.02 -0.54 0.00 0.00 0.00 174.94 175.65 1be4 s LYS 12 N 1.38 -1.13 0.44 2.79 1.02 -0.33 -1.90 119.74 122.01 1be4 s LYS 12 Ca -0.01 0.63 0.19 0.00 0.02 0.00 0.00 55.97 56.80 1be4 s LYS 12 Cb -0.16 -1.54 1.01 0.00 -0.52 0.00 0.00 37.83 36.61 1be4 s LYS 12 CO -0.08 -3.81 1.92 -1.35 -0.92 0.00 0.00 175.35 171.11 1be4 h PRO 13 N -2.68 0.00 0.18 -1.68 0.11 -1.85 0.11 132.00 126.20 1be4 h PRO 13 Ca -0.59 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.51 1be4 h PRO 13 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1be4 h PRO 13 CO 0.49 0.26 -0.09 0.38 -0.21 0.00 0.00 178.00 178.82 1be4 h ASP 14 N 0.00 -0.21 -0.22 -2.05 2.03 -1.89 0.67 116.42 114.75 1be4 h ASP 14 Ca -0.00 -0.30 0.06 0.00 -0.73 0.00 0.00 57.03 56.05 1be4 h ASP 14 Cb 0.54 0.05 -0.07 0.00 -0.83 0.00 0.00 39.33 39.02 1be4 h ASP 14 CO 0.03 0.24 -0.34 1.23 -1.03 0.00 0.00 179.24 179.37 1be4 h GLY 15 N -0.71 -0.42 0.90 7.15 0.00 -1.66 0.18 103.07 108.52 1be4 h GLY 15 Ca -0.03 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1be4 h GLY 15 CO 0.04 -0.21 0.61 -2.08 0.00 0.00 0.00 176.54 174.90 1be4 h VAL 16 N -0.36 1.17 0.00 4.60 2.07 -0.77 0.08 116.25 123.04 1be4 h VAL 16 Ca 0.12 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1be4 h VAL 16 Cb 0.55 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1be4 h VAL 16 CO -0.42 0.22 -0.02 1.56 0.02 0.00 0.00 177.57 178.93 1be4 h GLN 17 N 1.20 0.00 0.00 1.57 1.08 0.17 -2.98 115.11 116.15 1be4 h GLN 17 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1be4 h GLN 17 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1be4 h GLN 17 CO -0.11 0.02 -0.65 0.54 -0.95 0.00 0.00 178.83 177.67 1be4 n ARG 18 N -3.11 0.15 -1.92 1.46 1.74 0.49 -5.01 116.66 110.46 1be4 n ARG 18 Ca 0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1be4 n ARG 18 Cb 0.41 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1be4 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1be4 n GLY 19 N 1.42 0.83 0.50 -0.13 0.00 -0.08 -4.98 105.19 102.75 1be4 n GLY 19 Ca 0.04 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1be4 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1be4 n LEU 20 N -0.51 3.10 0.08 0.99 4.77 -1.02 -4.64 117.00 119.77 1be4 n LEU 20 Ca 0.00 -2.91 -0.12 0.00 -0.03 0.00 0.00 56.01 52.94 1be4 n LEU 20 Cb 0.40 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1be4 n LEU 20 CO 0.00 0.68 0.54 0.24 -1.33 0.00 0.00 177.39 177.52 1be4 h MET 21 N 1.00 -0.22 -0.42 3.23 0.00 -1.92 0.26 114.93 116.87 1be4 h MET 21 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 59.70 59.79 1be4 h MET 21 Cb 1.16 0.05 -0.06 0.00 0.00 0.00 0.00 31.60 32.75 1be4 h MET 21 CO 0.11 0.17 0.05 0.78 0.00 0.00 0.00 176.91 178.02 1be4 h GLY 22 N -0.68 0.46 1.52 8.32 0.00 -1.99 0.63 103.07 111.33 1be4 h GLY 22 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1be4 h GLY 22 CO 0.04 -0.07 -0.19 0.83 0.00 0.00 0.00 176.54 177.15 1be4 h GLU 23 N 0.17 0.57 -0.43 4.80 4.39 -1.79 0.38 114.58 122.67 1be4 h GLU 23 Ca 0.20 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1be4 h GLU 23 Cb 0.27 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1be4 h GLU 23 CO -0.30 0.73 0.22 0.82 -1.16 0.00 0.00 179.01 179.32 1be4 h ILE 24 N 0.51 1.17 -0.15 3.13 2.04 0.14 -1.34 117.51 123.01 1be4 h ILE 24 Ca 0.08 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1be4 h ILE 24 Cb 0.61 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1be4 h ILE 24 CO 0.04 0.18 0.07 0.40 0.00 0.00 0.00 178.15 178.84 1be4 h ILE 25 N 0.55 1.00 -1.08 -0.67 2.04 0.29 -2.73 117.51 116.91 1be4 h ILE 25 Ca 0.15 -0.06 0.32 0.00 1.00 0.00 0.00 64.86 66.28 1be4 h ILE 25 Cb 0.08 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 1be4 h ILE 25 CO -0.02 0.03 0.66 0.50 0.00 0.00 0.00 178.15 179.31 1be4 h LYS 26 N 0.16 0.31 0.00 2.37 3.64 0.00 0.91 116.57 123.96 1be4 h LYS 26 Ca 0.06 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1be4 h LYS 26 Cb 0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1be4 h LYS 26 CO -0.04 0.21 -0.38 0.00 -2.27 0.00 0.00 179.45 176.97 1be4 h ARG 27 N 0.32 0.00 0.15 1.90 3.08 -0.95 0.42 114.38 119.31 1be4 h ARG 27 Ca 0.71 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.51 1be4 h ARG 27 Cb 1.77 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.83 1be4 h ARG 27 CO -0.48 0.38 -1.19 0.74 -1.07 0.00 0.00 179.97 178.36 1be4 h PHE 28 N 0.00 0.57 -0.40 3.04 0.04 -0.73 -1.96 116.94 117.50 1be4 h PHE 28 Ca -0.00 -0.42 0.08 0.00 2.80 0.00 0.00 57.97 60.43 1be4 h PHE 28 Cb 1.01 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.05 1be4 h PHE 28 CO 0.00 1.46 -0.16 0.93 -0.60 0.00 0.00 178.31 179.94 1be4 h GLU 29 N -0.26 -0.07 -0.47 1.51 5.08 0.82 -2.04 114.58 119.16 1be4 h GLU 29 Ca -0.23 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1be4 h GLU 29 Cb 1.78 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.02 1be4 h GLU 29 CO 0.13 -0.05 0.32 0.37 -1.00 0.00 0.00 179.01 178.78 1be4 h GLN 30 N -0.07 0.26 0.00 2.33 4.15 -0.19 0.35 115.11 121.94 1be4 h GLN 30 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1be4 h GLN 30 Cb 0.38 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1be4 h GLN 30 CO -0.45 0.17 -0.14 1.17 -1.93 0.00 0.00 178.83 177.65 1be4 n LYS 31 N -4.46 0.10 0.00 1.69 3.00 -0.74 -4.92 118.16 112.83 1be4 n LYS 31 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1be4 n LYS 31 Cb 0.34 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.77 1be4 n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1be4 n GLY 32 N 1.43 1.35 3.81 3.14 0.00 0.12 -5.09 105.19 109.96 1be4 n GLY 32 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1be4 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1be4 s PHE 33 N -2.00 3.11 -0.23 1.61 0.08 -0.85 -4.98 117.98 114.72 1be4 s PHE 33 Ca 0.00 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 1be4 s PHE 33 Cb 0.00 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1be4 s PHE 33 CO 0.00 0.52 0.12 0.50 -0.10 0.00 0.00 175.22 176.26 1be4 s ARG 34 N -3.61 3.94 -0.49 0.44 3.52 0.51 -4.53 118.95 118.74 1be4 s ARG 34 Ca 0.32 -0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 55.31 1be4 s ARG 34 Cb -0.08 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1be4 s ARG 34 CO 0.24 0.03 1.90 -1.17 -0.81 0.00 0.00 175.30 175.49 1be4 s LEU 35 N 1.11 3.39 -0.00 -0.88 2.96 -1.26 0.45 118.68 124.44 1be4 s LEU 35 Ca 0.06 0.81 0.13 0.00 -0.22 0.00 0.00 54.13 54.91 1be4 s LEU 35 Cb -0.14 -2.92 -0.20 0.00 0.50 0.00 0.00 46.19 43.43 1be4 s LEU 35 CO 0.04 -2.17 0.75 0.58 -1.32 0.00 0.00 176.35 174.24 1be4 h VAL 36 N 6.95 0.81 -3.31 1.68 2.07 -1.65 -3.47 116.25 119.34 1be4 h VAL 36 Ca -0.29 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1be4 h VAL 36 Cb 1.18 2.35 -0.09 0.00 -1.52 0.00 0.00 31.29 33.21 1be4 h VAL 36 CO 1.14 0.46 0.05 0.00 0.02 0.00 0.00 177.57 179.24 1be4 s ALA 37 N -2.69 -0.85 -0.29 1.67 0.00 -1.19 -1.00 121.76 117.41 1be4 s ALA 37 Ca -0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.27 1be4 s ALA 37 Cb 0.08 0.91 0.19 0.00 0.00 0.00 0.00 23.12 24.30 1be4 s ALA 37 CO 0.82 -0.88 1.42 1.41 0.00 0.00 0.00 175.76 178.53 1be4 s MET 38 N -3.92 0.07 0.05 0.00 0.00 -1.26 -1.30 119.30 112.94 1be4 s MET 38 Ca 0.13 0.06 -0.25 0.00 0.00 0.00 0.00 55.69 55.64 1be4 s MET 38 Cb -0.02 0.03 0.06 0.00 0.00 0.00 0.00 34.83 34.90 1be4 s MET 38 CO 0.02 -0.01 0.58 -1.59 0.00 0.00 0.00 175.02 174.02 1be4 s LYS 39 N -0.22 1.11 -0.45 4.11 -2.85 -0.49 -4.99 119.74 115.95 1be4 s LYS 39 Ca 0.08 -0.17 -0.08 0.00 -1.00 0.00 0.00 55.97 54.79 1be4 s LYS 39 Cb -0.04 0.51 0.10 0.00 -2.06 0.00 0.00 37.83 36.34 1be4 s LYS 39 CO -0.14 -0.41 0.30 0.12 0.10 0.00 0.00 175.35 175.32 1be4 s PHE 40 N -2.46 3.41 0.28 1.78 5.36 -1.26 0.11 117.98 125.19 1be4 s PHE 40 Ca -0.05 -1.81 0.04 0.00 -0.96 0.00 0.00 56.93 54.15 1be4 s PHE 40 Cb -0.01 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1be4 s PHE 40 CO -0.02 -0.94 0.22 0.00 -1.46 0.00 0.00 175.22 173.02 1be4 s MET 41 N 1.36 1.54 -0.45 10.12 0.23 -0.93 -4.94 119.30 126.24 1be4 s MET 41 Ca 0.05 -1.87 -0.16 0.00 -1.03 0.00 0.00 55.69 52.68 1be4 s MET 41 Cb -0.25 0.30 0.05 0.00 -1.53 0.00 0.00 34.83 33.40 1be4 s MET 41 CO -0.00 -0.55 0.37 0.50 -2.03 0.00 0.00 175.02 173.31 1be4 s ARG 42 N -3.72 2.99 0.44 3.16 3.52 -1.26 0.26 118.95 124.33 1be4 s ARG 42 Ca 0.40 -1.17 -0.23 0.00 -0.13 0.00 0.00 55.73 54.60 1be4 s ARG 42 Cb 0.04 -4.06 -0.08 0.00 -1.56 0.00 0.00 34.95 29.29 1be4 s ARG 42 CO 0.22 -0.92 1.11 0.00 -0.81 0.00 0.00 175.30 174.90 1be4 s ALA 43 N 1.73 2.99 0.53 6.12 0.00 -1.26 -5.01 121.76 126.85 1be4 s ALA 43 Ca 0.05 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1be4 s ALA 43 Cb -0.22 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1be4 s ALA 43 CO 0.09 -0.47 0.88 -1.54 0.00 0.00 0.00 175.76 174.71 1be4 s SER 44 N -1.51 6.25 0.35 0.00 1.04 -1.26 -4.66 113.70 113.91 1be4 s SER 44 Ca 0.62 1.10 0.05 0.00 0.48 0.00 0.00 55.95 58.21 1be4 s SER 44 Cb -0.25 -2.32 0.64 0.00 0.10 0.00 0.00 66.02 64.19 1be4 s SER 44 CO 0.30 -0.69 1.90 -0.33 0.98 0.00 0.00 173.24 175.40 1be4 h GLU 45 N 0.02 0.51 -0.19 4.02 5.08 -1.96 1.21 114.58 123.27 1be4 h GLU 45 Ca -0.46 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1be4 h GLU 45 Cb 1.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1be4 h GLU 45 CO 0.62 0.52 0.02 -0.44 -1.00 0.00 0.00 179.01 178.73 1be4 h ASP 46 N 0.49 -0.03 0.17 1.42 5.19 -1.98 0.73 116.42 122.41 1be4 h ASP 46 Ca 0.11 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1be4 h ASP 46 Cb 0.29 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1be4 h ASP 46 CO 0.01 0.01 -0.29 0.25 -3.12 0.00 0.00 179.24 176.09 1be4 h LEU 47 N 0.08 -0.82 -0.36 1.55 5.85 -1.00 0.15 115.31 120.76 1be4 h LEU 47 Ca 0.09 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1be4 h LEU 47 Cb 0.09 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1be4 h LEU 47 CO -0.13 -0.39 0.04 -0.07 -0.34 0.00 0.00 178.44 177.54 1be4 h LEU 48 N -0.54 -0.06 -1.66 2.25 3.38 0.15 0.49 115.31 119.31 1be4 h LEU 48 Ca 0.02 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1be4 h LEU 48 Cb 0.55 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1be4 h LEU 48 CO -0.14 0.00 0.29 0.11 0.09 0.00 0.00 178.44 178.79 1be4 h LYS 49 N 0.15 0.43 0.00 1.13 1.57 0.90 2.74 116.57 123.49 1be4 h LYS 49 Ca 0.17 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1be4 h LYS 49 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1be4 h LYS 49 CO -0.26 0.28 -1.08 0.93 -0.57 0.00 0.00 179.45 178.75 1be4 h GLU 50 N 0.44 0.00 -0.06 3.15 4.39 0.36 -2.79 114.58 120.08 1be4 h GLU 50 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1be4 h GLU 50 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1be4 h GLU 50 CO -0.04 0.08 0.01 1.25 -1.16 0.00 0.00 179.01 179.15 1be4 h HIS 51 N 0.00 0.09 -0.32 4.33 2.76 0.24 -3.11 115.15 119.14 1be4 h HIS 51 Ca -0.04 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 57.93 1be4 h HIS 51 Cb 1.15 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 29.99 1be4 h HIS 51 CO 0.00 0.29 0.24 0.66 -1.30 0.00 0.00 177.93 177.82 1be4 n TYR 52 N -4.92 1.02 -0.02 5.26 4.01 0.90 -4.59 117.16 118.82 1be4 n TYR 52 Ca -0.07 -1.16 -0.09 0.00 -0.16 0.00 0.00 57.90 56.42 1be4 n TYR 52 Cb 0.15 -0.58 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 1be4 n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1be4 h ILE 53 N 0.53 0.90 0.00 -0.72 2.10 -1.42 -2.69 117.51 116.21 1be4 h ILE 53 Ca 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.13 1be4 h ILE 53 Cb 1.41 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.98 1be4 h ILE 53 CO 0.41 0.01 0.00 0.47 -1.08 0.00 0.00 178.15 177.96 1be4 n ASP 54 N -5.12 0.00 -0.54 2.19 9.92 -1.26 -0.11 116.55 121.64 1be4 n ASP 54 Ca -0.04 0.09 0.09 0.00 -0.53 0.00 0.00 54.79 54.40 1be4 n ASP 54 Cb 0.08 -0.21 0.20 0.00 -0.64 0.00 0.00 41.12 40.55 1be4 n ASP 54 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1be4 n LEU 55 N -1.21 3.21 0.30 0.64 4.77 -1.02 -4.61 117.00 119.08 1be4 n LEU 55 Ca 0.04 -3.00 0.18 0.00 -0.03 0.00 0.00 56.01 53.20 1be4 n LEU 55 Cb 0.05 -0.48 0.97 0.00 -2.33 0.00 0.00 43.42 41.62 1be4 n LEU 55 CO 0.05 0.69 1.09 0.07 -1.33 0.00 0.00 177.39 177.96 1be4 h LYS 56 N 1.05 0.00 -3.23 3.23 2.10 -0.52 -3.24 116.57 115.96 1be4 h LYS 56 Ca 0.00 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 57.93 1be4 h LYS 56 Cb 1.23 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 32.22 1be4 h LYS 56 CO 0.12 0.03 0.04 -0.25 -2.00 0.00 0.00 179.45 177.39 1be4 n ASP 57 N -3.34 4.58 -3.60 7.07 8.00 -1.26 -4.89 116.55 123.11 1be4 n ASP 57 Ca -0.02 -3.17 -0.11 0.00 0.71 0.00 0.00 54.79 52.20 1be4 n ASP 57 Cb 0.15 -1.09 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 1be4 n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1be4 s ARG 58 N -1.59 0.59 0.24 -1.24 1.81 -1.22 -5.01 118.95 112.51 1be4 s ARG 58 Ca 0.29 0.40 0.20 0.00 -1.72 0.00 0.00 55.73 54.91 1be4 s ARG 58 Cb -0.05 0.28 0.05 0.00 -0.45 0.00 0.00 34.95 34.79 1be4 s ARG 58 CO -0.09 -0.13 1.19 -1.00 -0.68 0.00 0.00 175.30 174.58 1be4 h PRO 59 N 3.47 0.00 -0.85 3.54 0.13 -1.90 -3.24 132.00 133.16 1be4 h PRO 59 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1be4 h PRO 59 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1be4 h PRO 59 CO 0.21 0.15 0.46 0.27 -0.23 0.00 0.00 178.00 178.86 1be4 h PHE 60 N 0.00 1.17 -0.43 1.56 -5.15 -1.95 -3.26 116.94 108.89 1be4 h PHE 60 Ca -0.04 -0.03 0.17 0.00 -0.20 0.00 0.00 57.97 57.87 1be4 h PHE 60 Cb 1.20 -0.37 -0.08 0.00 0.22 0.00 0.00 35.95 36.92 1be4 h PHE 60 CO 0.00 0.82 0.20 0.34 -2.00 0.00 0.00 178.31 177.67 1be4 n PHE 61 N -4.37 0.47 0.17 6.09 -0.00 -1.22 0.29 117.46 118.89 1be4 n PHE 61 Ca 0.09 0.51 0.11 0.00 -0.00 0.00 0.00 57.45 58.16 1be4 n PHE 61 Cb 0.10 -0.94 0.27 0.00 -0.00 0.00 0.00 39.48 38.90 1be4 n PHE 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1be4 n ALA 62 N -2.79 2.42 -0.08 3.13 0.00 -1.23 -2.73 120.51 119.22 1be4 n ALA 62 Ca 0.15 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 1be4 n ALA 62 Cb 0.52 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 1be4 n ALA 62 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1be4 h GLY 63 N 4.58 0.00 0.00 0.00 0.00 0.41 -3.07 103.07 104.99 1be4 h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1be4 h GLY 63 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1be4 n LEU 64 N -4.54 0.00 -0.29 3.11 7.94 -0.75 -0.19 117.00 122.28 1be4 n LEU 64 Ca -0.19 0.90 0.29 0.00 -1.11 0.00 0.00 56.01 55.89 1be4 n LEU 64 Cb 0.53 -0.40 0.53 0.00 0.53 0.00 0.00 43.42 44.61 1be4 n LEU 64 CO 0.24 -0.40 0.96 0.52 -1.11 0.00 0.00 177.39 177.59 1be4 n VAL 65 N -2.16 -0.38 0.00 1.96 0.31 -1.11 0.23 118.33 117.19 1be4 n VAL 65 Ca 0.00 1.85 -0.12 0.00 -0.01 0.00 0.00 64.34 66.06 1be4 n VAL 65 Cb 0.00 -3.00 -0.10 0.00 -0.91 0.00 0.00 33.84 29.83 1be4 n VAL 65 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1be4 h LYS 66 N 0.00 -0.08 -0.62 5.55 1.79 -1.26 -3.11 116.57 118.84 1be4 h LYS 66 Ca 0.77 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 59.17 1be4 h LYS 66 Cb 2.02 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.67 1be4 h LYS 66 CO -0.70 0.47 0.10 -0.92 -1.08 0.00 0.00 179.45 177.31 1be4 h TYR 67 N -0.71 1.11 0.00 -1.35 3.20 0.42 0.56 116.97 120.19 1be4 h TYR 67 Ca -0.01 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1be4 h TYR 67 Cb 0.59 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1be4 h TYR 67 CO 0.12 0.94 0.04 -1.33 -1.64 0.00 0.00 178.16 176.29 1be4 n MET 68 N -4.27 0.00 0.00 1.82 2.81 0.64 0.92 117.12 119.04 1be4 n MET 68 Ca 0.03 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1be4 n MET 68 Cb 0.29 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1be4 n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1be4 n HIS 69 N -1.27 0.00 0.62 2.03 -0.00 -0.52 -4.56 115.22 111.53 1be4 n HIS 69 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1be4 n HIS 69 Cb 0.04 0.00 0.37 0.00 -0.00 0.00 0.00 29.99 30.39 1be4 n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1be4 n SER 70 N -0.20 0.00 -3.55 0.26 3.41 0.26 -4.86 113.62 108.95 1be4 n SER 70 Ca 0.00 0.36 -0.03 0.00 -0.26 0.00 0.00 58.87 58.94 1be4 n SER 70 Cb 0.03 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1be4 n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1be4 s GLY 71 N -2.87 -0.07 0.74 5.00 0.00 -1.26 -5.07 107.32 103.79 1be4 s GLY 71 Ca 0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.59 1be4 s GLY 71 CO 0.28 1.01 1.02 -1.05 0.00 0.00 0.00 173.10 174.37 1be4 n PRO 72 N -0.57 0.47 -4.33 2.90 -0.02 -1.26 -4.64 135.00 127.54 1be4 n PRO 72 Ca -0.05 0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 1be4 n PRO 72 Cb 0.60 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 1be4 n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1be4 s VAL 73 N -1.86 0.43 -0.17 -1.45 -7.23 0.14 -4.10 120.40 106.17 1be4 s VAL 73 Ca 0.74 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1be4 s VAL 73 Cb -0.33 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.08 1be4 s VAL 73 CO 0.50 0.00 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.54 1be4 s VAL 74 N -3.67 1.20 0.10 1.32 1.01 -0.80 -2.18 120.40 117.38 1be4 s VAL 74 Ca 0.36 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1be4 s VAL 74 Cb 0.06 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1be4 s VAL 74 CO 0.16 0.16 0.30 0.00 0.00 0.00 0.00 175.10 175.71 1be4 s ALA 75 N 1.60 3.89 0.18 5.51 0.00 0.30 -1.55 121.76 131.68 1be4 s ALA 75 Ca 0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1be4 s ALA 75 Cb -0.15 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.03 1be4 s ALA 75 CO -0.08 0.73 0.63 -1.64 0.00 0.00 0.00 175.76 175.41 1be4 s MET 76 N -2.51 1.39 -0.00 0.00 -1.94 -0.05 -1.40 119.30 114.78 1be4 s MET 76 Ca 0.37 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 1be4 s MET 76 Cb -0.13 0.59 -0.01 0.00 2.01 0.00 0.00 34.83 37.30 1be4 s MET 76 CO 0.25 -0.61 -0.09 0.08 -0.01 0.00 0.00 175.02 174.64 1be4 s VAL 77 N -3.78 0.69 0.01 -6.03 1.01 -0.42 -1.11 120.40 110.78 1be4 s VAL 77 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1be4 s VAL 77 Cb -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1be4 s VAL 77 CO -0.09 0.16 -0.13 0.26 0.00 0.00 0.00 175.10 175.31 1be4 s TRP 78 N -0.27 1.12 0.15 5.22 0.52 -0.82 -1.71 118.94 123.15 1be4 s TRP 78 Ca 0.03 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1be4 s TRP 78 Cb -0.04 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.54 1be4 s TRP 78 CO -0.00 0.00 -0.02 -1.83 0.02 0.00 0.00 176.95 175.12 1be4 s GLU 79 N -0.65 1.03 0.00 4.98 -1.05 1.57 -2.53 118.70 122.05 1be4 s GLU 79 Ca 0.03 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.37 1be4 s GLU 79 Cb -0.06 -0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.39 1be4 s GLU 79 CO 0.00 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1be4 n GLY 80 N -0.19 0.35 3.72 -3.83 0.00 -0.50 0.19 105.19 104.93 1be4 n GLY 80 Ca -0.08 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1be4 n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1be4 n LEU 81 N 0.00 3.92 -3.17 0.99 7.94 -1.25 -1.90 117.00 123.52 1be4 n LEU 81 Ca 0.00 1.09 -0.23 0.00 -1.11 0.00 0.00 56.01 55.77 1be4 n LEU 81 Cb 0.00 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.36 1be4 n LEU 81 CO 0.00 0.07 -0.08 0.59 -1.11 0.00 0.00 177.39 176.85 1be4 n ASN 82 N 3.26 -1.10 0.14 1.96 5.03 -1.26 -4.79 115.26 118.51 1be4 n ASN 82 Ca 0.14 -0.59 0.10 0.00 0.87 0.00 0.00 54.58 55.10 1be4 n ASN 82 Cb 0.34 -0.98 0.51 0.00 -1.02 0.00 0.00 39.78 38.64 1be4 n ASN 82 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1be4 n VAL 83 N -2.61 1.16 -0.08 2.41 3.14 -0.80 -1.80 118.33 119.75 1be4 n VAL 83 Ca 0.06 0.69 -0.12 0.00 -2.96 0.00 0.00 64.34 62.01 1be4 n VAL 83 Cb 0.30 -1.69 -0.06 0.00 -1.06 0.00 0.00 33.84 31.34 1be4 n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1be4 h VAL 84 N 0.00 0.50 0.18 1.55 2.07 -1.84 -2.83 116.25 115.87 1be4 h VAL 84 Ca 0.00 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1be4 h VAL 84 Cb 0.01 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1be4 h VAL 84 CO 0.00 0.17 -0.48 0.50 0.02 0.00 0.00 177.57 177.78 1be4 h LYS 85 N -1.00 -0.73 -0.95 1.57 3.64 -1.86 -2.52 116.57 114.72 1be4 h LYS 85 Ca -0.14 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.44 1be4 h LYS 85 Cb 0.83 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 32.65 1be4 h LYS 85 CO -0.09 -0.48 -0.36 1.15 -2.27 0.00 0.00 179.45 177.40 1be4 h THR 86 N -0.75 0.02 -0.28 1.00 2.02 -1.55 0.97 112.91 114.34 1be4 h THR 86 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1be4 h THR 86 Cb 0.75 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1be4 h THR 86 CO -0.24 0.00 0.20 1.23 0.37 0.00 0.00 175.52 177.08 1be4 h GLY 87 N -0.02 0.05 0.57 2.16 0.00 -1.44 0.36 103.07 104.75 1be4 h GLY 87 Ca 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1be4 h GLY 87 CO -0.96 0.01 -0.20 3.21 0.00 0.00 0.00 176.54 178.59 1be4 h ARG 88 N 0.04 0.22 -0.45 4.80 3.08 0.13 -0.97 114.38 121.23 1be4 h ARG 88 Ca 0.13 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1be4 h ARG 88 Cb 0.49 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 1be4 h ARG 88 CO -0.01 0.82 0.00 0.28 -1.07 0.00 0.00 179.97 180.00 1be4 h VAL 89 N -0.32 0.65 -0.88 2.04 2.07 0.21 0.79 116.25 120.81 1be4 h VAL 89 Ca -0.01 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.66 1be4 h VAL 89 Cb 0.85 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1be4 h VAL 89 CO 0.04 0.02 0.58 0.24 0.02 0.00 0.00 177.57 178.48 1be4 h MET 90 N 0.12 0.41 -0.75 1.57 2.86 -0.24 -2.21 114.93 116.69 1be4 h MET 90 Ca 0.23 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1be4 h MET 90 Cb 0.33 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1be4 h MET 90 CO -0.37 0.27 0.48 -0.07 1.06 0.00 0.00 176.91 178.28 1be4 h LEU 91 N 0.43 0.87 0.00 1.22 4.07 0.55 0.34 115.31 122.79 1be4 h LEU 91 Ca 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1be4 h LEU 91 Cb 1.10 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1be4 h LEU 91 CO -0.17 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 1be4 n GLY 92 N -1.26 -0.09 3.62 0.83 0.00 -0.75 0.28 105.19 107.82 1be4 n GLY 92 Ca 0.07 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 1be4 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1be4 s GLU 93 N 0.00 2.16 0.23 1.61 2.56 -1.26 -4.61 118.70 119.39 1be4 s GLU 93 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 54.97 53.39 1be4 s GLU 93 Cb 0.00 -2.06 0.41 0.00 2.00 0.00 0.00 34.13 34.48 1be4 s GLU 93 CO 0.00 0.32 1.71 1.15 -0.56 0.00 0.00 175.26 177.88 1be4 h THR 94 N 1.93 0.61 -3.57 -1.70 2.02 -1.95 -3.33 112.91 106.91 1be4 h THR 94 Ca -0.43 -0.12 -0.63 0.00 0.77 0.00 0.00 66.41 66.00 1be4 h THR 94 Cb 1.25 0.24 -0.13 0.00 -1.74 0.00 0.00 68.15 67.77 1be4 h THR 94 CO 0.61 0.06 0.21 0.21 0.37 0.00 0.00 175.52 176.98 1be4 s ASN 95 N -5.30 6.42 0.43 4.18 2.47 -1.26 -4.64 114.94 117.24 1be4 s ASN 95 Ca -0.13 0.05 0.23 0.00 0.42 0.00 0.00 52.86 53.43 1be4 s ASN 95 Cb 0.20 -2.35 1.23 0.00 -1.45 0.00 0.00 41.25 38.88 1be4 s ASN 95 CO 0.75 -0.70 1.74 -0.65 -3.72 0.00 0.00 177.10 174.53 1be4 h PRO 96 N 8.62 0.27 -1.02 0.43 0.11 -1.79 0.33 132.00 138.94 1be4 h PRO 96 Ca -0.26 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.09 1be4 h PRO 96 Cb 1.10 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.04 1be4 h PRO 96 CO 0.88 0.18 0.63 0.00 -0.21 0.00 0.00 178.00 179.48 1be4 h ALA 97 N 1.59 2.01 -0.55 -0.75 0.00 -1.86 0.30 119.26 120.00 1be4 h ALA 97 Ca 0.64 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1be4 h ALA 97 Cb 1.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1be4 h ALA 97 CO -0.28 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.28 1be4 n ASP 98 N -4.74 4.64 -4.53 0.00 8.00 0.11 -4.93 116.55 115.11 1be4 n ASP 98 Ca 0.26 -2.58 -0.35 0.00 0.71 0.00 0.00 54.79 52.83 1be4 n ASP 98 Cb 0.80 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 41.22 1be4 n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1be4 s SER 99 N -1.06 5.20 0.11 -2.24 1.04 0.11 -4.72 113.70 112.13 1be4 s SER 99 Ca 0.48 -0.09 -0.34 0.00 0.48 0.00 0.00 55.95 56.48 1be4 s SER 99 Cb 0.33 -1.90 -0.14 0.00 0.10 0.00 0.00 66.02 64.41 1be4 s SER 99 CO 0.20 0.10 1.59 0.29 0.98 0.00 0.00 173.24 176.39 1be4 n LYS 100 N 4.04 1.99 -1.46 4.02 5.02 -1.26 -4.13 118.16 126.37 1be4 n LYS 100 Ca -0.17 0.72 -0.46 0.00 -2.02 0.00 0.00 58.31 56.39 1be4 n LYS 100 Cb 0.52 -2.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.03 1be4 n LYS 100 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1be4 n PRO 101 N 3.76 0.52 0.00 1.97 -0.02 -1.26 -2.41 135.00 137.55 1be4 n PRO 101 Ca 0.18 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1be4 n PRO 101 Cb 0.27 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1be4 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1be4 n GLY 102 N 1.74 3.27 3.89 -1.23 0.00 -1.26 -4.97 105.19 106.62 1be4 n GLY 102 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1be4 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1be4 s THR 103 N -2.83 5.21 0.23 2.61 -4.23 -1.01 -4.95 115.64 110.66 1be4 s THR 103 Ca 0.00 -0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1be4 s THR 103 Cb 0.00 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.48 1be4 s THR 103 CO 0.00 0.13 1.81 0.40 -0.54 0.00 0.00 174.62 176.41 1be4 h ILE 104 N 2.16 0.93 -0.03 2.99 2.04 -0.87 0.16 117.51 124.89 1be4 h ILE 104 Ca -0.45 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1be4 h ILE 104 Cb 1.16 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1be4 h ILE 104 CO 0.74 0.13 0.01 0.03 0.00 0.00 0.00 178.15 179.06 1be4 h ARG 105 N 0.73 0.04 -0.65 2.37 3.08 -0.40 -0.95 114.38 118.60 1be4 h ARG 105 Ca 0.35 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.48 1be4 h ARG 105 Cb 0.28 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.21 1be4 h ARG 105 CO -0.22 0.19 -0.48 0.78 -1.07 0.00 0.00 179.97 179.17 1be4 h GLY 106 N -0.13 -0.60 0.42 0.04 0.00 -1.42 -1.63 103.07 99.76 1be4 h GLY 106 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1be4 h GLY 106 CO -0.00 -0.12 -0.76 1.22 0.00 0.00 0.00 176.54 176.88 1be4 n ASP 107 N -5.38 0.80 -0.00 0.19 8.00 0.44 -4.55 116.55 116.05 1be4 n ASP 107 Ca 0.01 -0.68 0.04 0.00 0.71 0.00 0.00 54.79 54.88 1be4 n ASP 107 Cb 0.34 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.02 1be4 n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1be4 n PHE 108 N -1.46 0.00 -3.87 1.24 3.72 -0.37 -5.06 117.46 111.66 1be4 n PHE 108 Ca 0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.33 1be4 n PHE 108 Cb 0.34 -0.08 -0.13 0.00 -0.94 0.00 0.00 39.48 38.67 1be4 n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1be4 h ILE 110 N 4.95 0.85 -4.05 0.00 2.04 -1.84 -3.44 117.51 116.02 1be4 h ILE 110 Ca -0.26 -2.21 -0.60 0.00 1.00 0.00 0.00 64.86 62.78 1be4 h ILE 110 Cb 1.21 2.28 -0.24 0.00 -0.74 0.00 0.00 36.82 39.33 1be4 h ILE 110 CO 0.46 0.43 -0.85 -1.58 0.00 0.00 0.00 178.15 176.62 1be4 s GLN 111 N -2.40 1.34 0.54 2.37 0.74 -1.26 -3.94 119.66 117.03 1be4 s GLN 111 Ca -0.27 -1.11 0.41 0.00 0.05 0.00 0.00 55.36 54.43 1be4 s GLN 111 Cb 0.06 -1.58 1.61 0.00 1.10 0.00 0.00 33.01 34.19 1be4 s GLN 111 CO 0.63 0.39 1.70 0.28 -0.55 0.00 0.00 175.29 177.74 1be4 h VAL 112 N 4.16 0.24 -0.02 1.34 2.07 -1.95 -0.05 116.25 122.04 1be4 h VAL 112 Ca -0.46 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1be4 h VAL 112 Cb 1.17 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1be4 h VAL 112 CO 0.41 0.00 -0.19 0.61 0.02 0.00 0.00 177.57 178.43 1be4 n GLY 113 N -1.81 0.17 2.55 2.17 0.00 -1.26 -4.17 105.19 102.85 1be4 n GLY 113 Ca 0.34 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1be4 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1be4 n ARG 114 N 0.43 1.49 -1.02 1.61 5.12 -0.09 -4.96 116.66 119.24 1be4 n ARG 114 Ca 0.09 -3.51 -0.14 0.00 -1.93 0.00 0.00 57.85 52.36 1be4 n ARG 114 Cb 0.41 -1.52 0.22 0.00 -1.16 0.00 0.00 32.46 30.41 1be4 n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1be4 n ASN 115 N -0.05 4.14 0.00 0.55 6.94 -0.86 -4.44 115.26 121.54 1be4 n ASN 115 Ca 0.17 -3.27 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1be4 n ASN 115 Cb 0.74 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1be4 n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1be4 n ILE 116 N -0.54 0.00 -3.88 1.53 -5.35 -1.26 -4.77 119.36 105.09 1be4 n ILE 116 Ca 0.46 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.85 1be4 n ILE 116 Cb 1.43 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 1be4 n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1be4 s ILE 117 N 0.00 0.01 0.00 7.28 2.07 -1.26 -1.19 121.20 128.11 1be4 s ILE 117 Ca 0.00 -1.11 -0.04 0.00 -1.41 0.00 0.00 60.65 58.09 1be4 s ILE 117 Cb 0.00 -1.94 -0.00 0.00 0.13 0.00 0.00 42.46 40.64 1be4 s ILE 117 CO 0.00 -0.05 0.07 -2.28 -1.91 0.00 0.00 174.94 170.78 1be4 s HIS 118 N -3.95 0.08 0.03 3.50 5.65 0.22 -4.83 115.29 116.00 1be4 s HIS 118 Ca 0.15 -0.18 -0.08 0.00 0.25 0.00 0.00 55.06 55.20 1be4 s HIS 118 Cb -0.02 -0.08 -0.00 0.00 -1.18 0.00 0.00 32.58 31.30 1be4 s HIS 118 CO 0.04 -0.20 0.15 0.20 -0.65 0.00 0.00 174.74 174.28 1be4 s GLY 119 N -1.10 0.08 0.43 1.59 0.00 -1.26 -1.37 107.32 105.68 1be4 s GLY 119 Ca -0.12 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 1be4 s GLY 119 CO 0.00 -0.48 1.33 1.44 0.00 0.00 0.00 173.10 175.39 1be4 n SER 120 N 0.89 2.87 -0.12 1.64 7.64 -0.22 -4.90 113.62 121.42 1be4 n SER 120 Ca -0.20 1.12 0.13 0.00 1.01 0.00 0.00 58.87 60.94 1be4 n SER 120 Cb 0.58 -1.54 0.45 0.00 -1.01 0.00 0.00 64.21 62.69 1be4 n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1be4 n ASP 121 N 0.11 0.60 -3.65 6.43 5.68 -1.26 -4.84 116.55 119.63 1be4 n ASP 121 Ca 0.06 -0.49 -0.01 0.00 -0.50 0.00 0.00 54.79 53.85 1be4 n ASP 121 Cb 0.40 0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.40 1be4 n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1be4 s SER 122 N -2.66 -0.11 0.27 -1.12 1.04 -1.26 -4.93 113.70 104.93 1be4 s SER 122 Ca 0.22 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1be4 s SER 122 Cb 0.19 0.26 0.38 0.00 0.10 0.00 0.00 66.02 66.95 1be4 s SER 122 CO 0.55 -0.47 1.74 1.62 0.98 0.00 0.00 173.24 177.66 1be4 h VAL 123 N 2.00 1.25 -0.16 5.02 3.04 -1.91 0.59 116.25 126.08 1be4 h VAL 123 Ca -0.27 -1.11 -0.05 0.00 -1.01 0.00 0.00 66.70 64.26 1be4 h VAL 123 Cb 1.21 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1be4 h VAL 123 CO 0.27 0.37 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.75 1be4 h GLU 124 N 0.58 0.25 -0.02 4.17 3.07 -1.97 0.48 114.58 121.14 1be4 h GLU 124 Ca 0.10 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1be4 h GLU 124 Cb 0.55 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1be4 h GLU 124 CO 0.03 0.39 -0.65 0.77 -1.40 0.00 0.00 179.01 178.16 1be4 h SER 125 N 0.24 0.12 -0.32 1.42 0.02 -1.56 -2.27 113.55 111.19 1be4 h SER 125 Ca 0.05 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1be4 h SER 125 Cb 0.38 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1be4 h SER 125 CO 0.02 0.73 -0.03 0.00 -1.14 0.00 0.00 176.83 176.41 1be4 h ALA 126 N 1.27 0.43 -0.75 3.77 0.00 0.48 -1.67 119.26 122.79 1be4 h ALA 126 Ca -0.01 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1be4 h ALA 126 Cb 1.15 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 1be4 h ALA 126 CO 0.09 0.21 0.26 0.93 0.00 0.00 0.00 179.25 180.75 1be4 h GLU 127 N 0.37 0.37 0.42 0.00 5.08 -0.88 0.56 114.58 120.49 1be4 h GLU 127 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1be4 h GLU 127 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1be4 h GLU 127 CO 0.02 0.24 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.72 1be4 h LYS 128 N 0.38 -0.72 -0.26 2.33 3.64 -1.22 0.48 116.57 121.20 1be4 h LYS 128 Ca 0.42 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.72 1be4 h LYS 128 Cb 0.67 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1be4 h LYS 128 CO -0.44 -0.48 -0.38 0.93 -2.27 0.00 0.00 179.45 176.80 1be4 h GLU 129 N -0.75 0.60 0.52 1.90 5.08 -0.72 0.57 114.58 121.78 1be4 h GLU 129 Ca -0.04 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1be4 h GLU 129 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1be4 h GLU 129 CO -0.01 0.89 -0.29 0.82 -1.00 0.00 0.00 179.01 179.42 1be4 h ILE 130 N 0.50 0.41 -0.72 3.13 2.04 0.15 1.60 117.51 124.61 1be4 h ILE 130 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1be4 h ILE 130 Cb 0.89 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1be4 h ILE 130 CO 0.08 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.54 1be4 h ALA 131 N -0.30 1.00 -0.37 1.87 0.00 -0.64 2.49 119.26 123.32 1be4 h ALA 131 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1be4 h ALA 131 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1be4 h ALA 131 CO 0.08 -0.15 0.19 1.25 0.00 0.00 0.00 179.25 180.62 1be4 h LEU 132 N 0.50 0.28 0.00 0.00 6.46 0.52 -3.11 115.31 119.96 1be4 h LEU 132 Ca 0.38 0.02 -0.28 0.00 -0.12 0.00 0.00 57.88 57.88 1be4 h LEU 132 Cb 0.50 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1be4 h LEU 132 CO -0.34 0.21 -1.66 -0.50 -0.62 0.00 0.00 178.44 175.52 1be4 h TRP 133 N 0.38 0.00 -4.01 1.25 4.06 0.39 -3.46 115.95 114.57 1be4 h TRP 133 Ca 0.15 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.55 1be4 h TRP 133 Cb 0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 27.98 1be4 h TRP 133 CO -0.10 0.96 -0.83 -0.06 -3.56 0.00 0.00 178.44 174.86 1be4 s PHE 134 N -2.63 1.74 0.09 0.49 0.08 0.82 -5.07 117.98 113.50 1be4 s PHE 134 Ca -0.04 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.30 1be4 s PHE 134 Cb 0.08 -0.98 -0.07 0.00 -0.57 0.00 0.00 43.02 41.48 1be4 s PHE 134 CO 0.82 0.16 1.27 -0.98 -0.10 0.00 0.00 175.22 176.39 1be4 s ARG 135 N -1.64 4.39 0.58 0.44 1.70 -1.26 -4.31 118.95 118.85 1be4 s ARG 135 Ca 0.06 1.88 0.35 0.00 -0.47 0.00 0.00 55.73 57.55 1be4 s ARG 135 Cb -0.10 -3.31 1.40 0.00 -0.57 0.00 0.00 34.95 32.38 1be4 s ARG 135 CO 0.03 -0.31 1.64 -1.00 -1.08 0.00 0.00 175.30 174.58 1be4 h PRO 136 N 6.72 0.00 -0.46 3.89 0.14 -1.92 0.13 132.00 140.49 1be4 h PRO 136 Ca -0.42 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.68 1be4 h PRO 136 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.33 1be4 h PRO 136 CO 0.83 0.00 0.13 0.93 0.14 0.00 0.00 178.00 180.03 1be4 h GLU 137 N 0.00 0.73 0.00 0.86 3.07 -2.03 -2.22 114.58 114.99 1be4 h GLU 137 Ca 0.54 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1be4 h GLU 137 Cb 2.51 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.32 1be4 h GLU 137 CO -0.01 0.71 0.00 0.39 -1.40 0.00 0.00 179.01 178.70 1be4 n GLU 138 N -4.52 0.15 -2.95 2.33 1.02 0.44 -4.58 120.64 112.53 1be4 n GLU 138 Ca 0.01 0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 1be4 n GLU 138 Cb 0.20 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 29.73 1be4 n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1be4 s LEU 139 N -4.26 4.15 -0.47 -4.62 2.01 -0.84 -4.58 118.68 110.08 1be4 s LEU 139 Ca 0.02 1.05 -0.28 0.00 0.01 0.00 0.00 54.13 54.93 1be4 s LEU 139 Cb 0.08 -3.13 -0.02 0.00 0.01 0.00 0.00 46.19 43.13 1be4 s LEU 139 CO 0.29 -0.39 1.81 -0.69 1.01 0.00 0.00 176.35 178.38 1be4 s VAL 140 N 2.22 3.45 -0.25 -1.59 1.01 -0.17 -4.98 120.40 120.09 1be4 s VAL 140 Ca 0.35 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 1be4 s VAL 140 Cb -0.16 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1be4 s VAL 140 CO 0.11 -0.65 0.61 0.21 0.00 0.00 0.00 175.10 175.37 1be4 s ASN 141 N 6.96 6.56 0.28 3.32 3.84 -1.26 -4.81 114.94 129.83 1be4 s ASN 141 Ca 0.73 0.68 -0.15 0.00 0.21 0.00 0.00 52.86 54.34 1be4 s ASN 141 Cb -0.17 -2.33 0.01 0.00 -0.55 0.00 0.00 41.25 38.21 1be4 s ASN 141 CO 0.28 -0.34 0.59 -0.72 -2.79 0.00 0.00 177.10 174.12 1be4 s TYR 142 N 2.39 0.23 0.08 0.43 1.13 -1.26 -5.19 117.35 115.17 1be4 s TYR 142 Ca 0.25 -0.65 0.06 0.00 -1.41 0.00 0.00 57.07 55.33 1be4 s TYR 142 Cb -0.16 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1be4 s TYR 142 CO 0.09 -1.16 -0.08 0.15 -2.51 0.00 0.00 175.55 172.03 1be4 s LYS 143 N -3.68 2.26 0.16 -3.49 3.01 -1.26 -5.12 119.74 111.61 1be4 s LYS 143 Ca 0.19 -0.94 -0.26 0.00 -1.01 0.00 0.00 55.97 53.94 1be4 s LYS 143 Cb -0.03 -2.37 -0.08 0.00 -1.01 0.00 0.00 37.83 34.35 1be4 s LYS 143 CO 0.10 0.53 0.80 0.45 0.51 0.00 0.00 175.35 177.74 1be4 s SER 144 N -2.04 7.41 0.12 2.83 0.15 -1.26 -5.00 113.70 115.91 1be4 s SER 144 Ca 0.21 1.67 -0.21 0.00 0.70 0.00 0.00 55.95 58.32 1be4 s SER 144 Cb -0.11 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1be4 s SER 144 CO 0.13 0.18 1.71 0.00 1.20 0.00 0.00 173.24 176.46 1be4 h ALA 146 N 1.14 1.66 -0.06 0.00 0.00 -2.01 -3.36 119.26 116.62 1be4 h ALA 146 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1be4 h ALA 146 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1be4 h ALA 146 CO -0.16 -0.45 -0.04 0.94 0.00 0.00 0.00 179.25 179.55 1be4 n GLN 147 N -3.27 -0.03 0.27 0.00 7.27 -0.98 0.23 117.38 120.87 1be4 n GLN 147 Ca 0.02 0.28 0.16 0.00 0.07 0.00 0.00 57.00 57.52 1be4 n GLN 147 Cb 0.46 -0.41 0.74 0.00 2.41 0.00 0.00 30.24 33.43 1be4 n GLN 147 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1be4 h ASN 148 N 0.00 0.00 1.16 1.69 4.21 -1.79 -1.11 115.58 119.74 1be4 h ASN 148 Ca 0.01 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 1be4 h ASN 148 Cb 0.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1be4 h ASN 148 CO -0.06 0.07 -0.49 -0.50 -1.29 0.00 0.00 177.43 175.16 1be4 h TRP 149 N 0.00 0.00 0.01 1.19 4.06 0.26 -3.25 115.95 118.21 1be4 h TRP 149 Ca -0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 1be4 h TRP 149 Cb 0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.55 1be4 h TRP 149 CO 0.00 0.49 -1.82 -0.89 -3.56 0.00 0.00 178.44 172.66 1be4 n ILE 150 N -3.37 1.59 -5.26 1.49 5.41 -0.38 -4.93 119.36 113.91 1be4 n ILE 150 Ca 0.01 -0.80 -0.31 0.00 1.00 0.00 0.00 62.75 62.65 1be4 n ILE 150 Cb 0.65 -0.99 -0.16 0.00 -0.71 0.00 0.00 39.64 38.43 1be4 n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1be4 s TYR 151 N -2.58 2.29 -2.00 1.39 2.02 -0.43 -5.11 117.35 112.93 1be4 s TYR 151 Ca -0.06 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.23 1be4 s TYR 151 Cb 0.08 -1.48 0.58 0.00 -0.40 0.00 0.00 41.96 40.73 1be4 s TYR 151 CO 0.82 -0.09 1.02 -1.91 -1.57 0.00 0.00 175.55 173.83