#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fea s VAL 27 N 0.00 0.45 -0.23 5.09 -7.23 0.47 -4.75 120.40 114.20 3fea s VAL 27 Ca 0.00 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3fea s VAL 27 Cb 0.00 -0.96 0.05 0.00 0.56 0.00 0.00 36.38 36.02 3fea s VAL 27 CO 0.00 -0.63 -0.13 -0.13 -0.31 0.00 0.00 175.10 173.91 3fea s ARG 28 N -2.51 2.33 0.45 4.82 0.52 -0.07 -1.22 118.95 123.28 3fea s ARG 28 Ca -0.03 -1.09 -0.23 0.00 -0.52 0.00 0.00 55.73 53.85 3fea s ARG 28 Cb -0.03 -2.69 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 3fea s ARG 28 CO -0.03 -0.45 1.19 -2.14 0.02 0.00 0.00 175.30 173.88 3fea s PRO 29 N 1.23 3.79 0.98 3.54 0.02 -1.25 -1.23 135.00 142.07 3fea s PRO 29 Ca -0.04 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 62.71 3fea s PRO 29 Cb -0.17 -2.47 0.18 0.00 0.02 0.00 0.00 34.50 32.06 3fea s PRO 29 CO -0.08 -0.54 1.10 0.15 -0.33 0.00 0.00 177.00 177.29 3fea s LYS 30 N -2.60 0.51 0.11 5.54 1.02 -0.01 -4.63 119.74 119.68 3fea s LYS 30 Ca 0.62 1.18 -0.19 0.00 0.02 0.00 0.00 55.97 57.60 3fea s LYS 30 Cb -0.30 -1.70 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 3fea s LYS 30 CO 0.37 -2.86 1.69 1.25 -0.92 0.00 0.00 175.35 174.89 3fea h LEU 31 N -2.01 0.32 -0.86 3.17 5.85 -1.96 0.22 115.31 120.04 3fea h LEU 31 Ca -0.50 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3fea h LEU 31 Cb 1.29 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3fea h LEU 31 CO 0.47 0.34 0.57 -0.65 -0.34 0.00 0.00 178.44 178.83 3fea h PRO 32 N 0.27 1.13 -0.62 5.25 0.11 -1.98 -0.15 132.00 136.01 3fea h PRO 32 Ca 0.08 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 3fea h PRO 32 Cb 0.10 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 3fea h PRO 32 CO -0.01 0.75 0.09 1.25 -0.21 0.00 0.00 178.00 179.87 3fea h LEU 33 N 1.17 1.00 -1.20 2.35 5.85 -1.85 -2.57 115.31 120.06 3fea h LEU 33 Ca 0.31 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fea h LEU 33 Cb -0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.60 3fea h LEU 33 CO -0.07 1.01 0.44 0.25 -0.34 0.00 0.00 178.44 179.73 3fea h LEU 34 N 0.95 0.87 -0.99 2.25 5.85 -0.25 -1.62 115.31 122.36 3fea h LEU 34 Ca 0.19 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3fea h LEU 34 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3fea h LEU 34 CO 0.01 0.67 -0.14 0.11 -0.34 0.00 0.00 178.44 178.75 3fea h LYS 35 N 1.00 0.57 -0.32 1.25 1.57 -0.73 0.34 116.57 120.25 3fea h LYS 35 Ca 0.26 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3fea h LYS 35 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3fea h LYS 35 CO -0.05 0.69 0.16 0.82 -0.57 0.00 0.00 179.45 180.50 3fea h ILE 36 N 0.52 1.15 -0.44 1.86 2.04 -0.97 -0.53 117.51 121.14 3fea h ILE 36 Ca 0.09 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3fea h ILE 36 Cb 0.55 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3fea h ILE 36 CO 0.03 0.16 0.21 -0.07 0.00 0.00 0.00 178.15 178.48 3fea h LEU 37 N 0.38 0.57 -0.98 1.44 3.38 -0.72 -2.54 115.31 116.85 3fea h LEU 37 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3fea h LEU 37 Cb 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3fea h LEU 37 CO -0.01 0.54 0.50 0.45 0.09 0.00 0.00 178.44 180.01 3fea h HIS 38 N 0.56 1.19 -0.14 1.13 3.86 -0.84 -1.21 115.15 119.71 3fea h HIS 38 Ca 0.15 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 3fea h HIS 38 Cb 0.12 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3fea h HIS 38 CO -0.01 0.81 0.10 0.00 0.86 0.00 0.00 177.93 179.69 3fea h ALA 39 N 1.33 2.08 -0.52 2.45 0.00 -0.69 -1.50 119.26 122.41 3fea h ALA 39 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3fea h ALA 39 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fea h ALA 39 CO -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3fea n ALA 40 N -2.54 2.42 0.00 0.00 0.00 -0.70 -4.93 120.51 114.76 3fea n ALA 40 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3fea n ALA 40 Cb 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3fea n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fea n GLY 41 N 1.44 0.70 3.76 0.00 0.00 -0.56 -4.78 105.19 105.76 3fea n GLY 41 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3fea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fea s ALA 42 N -2.00 2.65 0.08 4.61 0.00 -0.54 -4.97 121.76 121.59 3fea s ALA 42 Ca 0.00 0.92 0.09 0.00 0.00 0.00 0.00 51.96 52.97 3fea s ALA 42 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3fea s ALA 42 CO 0.00 -0.93 -0.25 -0.65 0.00 0.00 0.00 175.76 173.93 3fea s GLN 43 N -3.26 1.71 1.83 0.00 -0.21 -1.26 -4.33 119.66 114.14 3fea s GLN 43 Ca 0.74 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3fea s GLN 43 Cb -0.27 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3fea s GLN 43 CO 0.30 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.38 3fea n GLY 44 N 1.38 -1.46 0.00 3.09 0.00 -1.26 -4.76 105.19 102.18 3fea n GLY 44 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3fea n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fea n GLU 45 N -0.05 3.74 -5.15 1.61 1.02 -1.26 -5.00 120.64 115.54 3fea n GLU 45 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3fea n GLU 45 Cb 0.00 -0.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.65 3fea n GLU 45 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fea s MET 46 N -1.11 2.32 0.08 3.49 1.75 -1.26 -3.97 119.30 120.59 3fea s MET 46 Ca 0.00 -0.83 -0.06 0.00 -1.25 0.00 0.00 55.69 53.55 3fea s MET 46 Cb 0.00 -1.99 -0.01 0.00 2.84 0.00 0.00 34.83 35.67 3fea s MET 46 CO 0.00 0.36 0.12 -0.06 -0.65 0.00 0.00 175.02 174.79 3fea s PHE 47 N -0.14 0.27 0.67 4.11 0.08 -0.35 -4.96 117.98 117.66 3fea s PHE 47 Ca -0.03 -0.74 -0.11 0.00 0.12 0.00 0.00 56.93 56.17 3fea s PHE 47 Cb -0.13 -0.16 -0.01 0.00 -0.57 0.00 0.00 43.02 42.15 3fea s PHE 47 CO 0.03 -0.49 1.06 0.95 -0.10 0.00 0.00 175.22 176.66 3fea s THR 48 N -3.88 4.18 0.24 0.64 -4.23 -1.26 -0.40 115.64 110.94 3fea s THR 48 Ca 0.06 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 3fea s THR 48 Cb 0.06 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.50 3fea s THR 48 CO -0.11 -0.93 1.86 0.58 -0.54 0.00 0.00 174.62 175.49 3fea h VAL 49 N -0.54 1.08 -0.07 2.29 2.07 -1.95 -1.65 116.25 117.47 3fea h VAL 49 Ca -0.44 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3fea h VAL 49 Cb 1.21 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fea h VAL 49 CO 0.61 0.19 -0.35 0.07 0.02 0.00 0.00 177.57 178.10 3fea h LYS 50 N 1.03 0.14 -0.48 1.57 2.10 -1.99 -1.33 116.57 117.61 3fea h LYS 50 Ca 0.37 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.92 3fea h LYS 50 Cb 0.12 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 3fea h LYS 50 CO -0.16 0.48 0.12 0.93 -2.00 0.00 0.00 179.45 178.83 3fea h GLU 51 N 0.13 0.77 -0.33 0.07 5.08 -1.79 -0.39 114.58 118.12 3fea h GLU 51 Ca 0.01 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3fea h GLU 51 Cb 0.69 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3fea h GLU 51 CO 0.05 0.75 0.10 0.28 -1.00 0.00 0.00 179.01 179.19 3fea h VAL 52 N 0.65 0.89 -0.81 3.13 2.07 -0.83 -0.78 116.25 120.57 3fea h VAL 52 Ca 0.15 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3fea h VAL 52 Cb 0.32 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3fea h VAL 52 CO 0.00 0.04 0.44 0.24 0.02 0.00 0.00 177.57 178.32 3fea h MET 53 N 0.24 1.12 -0.07 1.57 2.86 -1.08 -1.15 114.93 118.41 3fea h MET 53 Ca 0.15 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3fea h MET 53 Cb 0.14 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3fea h MET 53 CO -0.17 0.82 0.04 1.25 1.06 0.00 0.00 176.91 179.92 3fea h HIS 54 N 1.13 0.09 0.00 -0.22 6.17 -0.57 -2.10 115.15 119.65 3fea h HIS 54 Ca 0.29 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.26 3fea h HIS 54 Cb 0.03 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 3fea h HIS 54 CO 0.01 0.10 -0.51 1.88 0.71 0.00 0.00 177.93 180.12 3fea h TYR 55 N 0.06 0.00 -0.78 5.26 0.05 -0.91 -0.94 116.97 119.71 3fea h TYR 55 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3fea h TYR 55 Cb 0.03 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 3fea h TYR 55 CO -0.06 0.51 0.51 -0.07 -1.05 0.00 0.00 178.16 177.99 3fea h LEU 56 N 0.00 0.91 -0.68 3.88 3.38 -1.02 -0.02 115.31 121.75 3fea h LEU 56 Ca -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3fea h LEU 56 Cb 0.94 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3fea h LEU 56 CO 0.07 0.67 0.31 1.23 0.09 0.00 0.00 178.44 180.80 3fea h GLY 57 N 1.07 1.07 0.88 0.83 0.00 -0.75 -1.55 103.07 104.62 3fea h GLY 57 Ca 0.29 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.09 3fea h GLY 57 CO -0.06 0.52 0.42 1.46 0.00 0.00 0.00 176.54 178.88 3fea h GLN 58 N 0.96 0.79 -0.40 4.80 1.08 -0.84 -1.90 115.11 119.61 3fea h GLN 58 Ca 0.23 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3fea h GLN 58 Cb 0.16 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3fea h GLN 58 CO -0.03 0.53 0.19 -0.92 -0.95 0.00 0.00 178.83 177.65 3fea h TYR 59 N 0.82 0.57 -0.99 2.96 3.20 -0.70 0.34 116.97 123.17 3fea h TYR 59 Ca 0.27 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3fea h TYR 59 Cb 0.01 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 3fea h TYR 59 CO -0.05 0.48 0.65 0.82 -1.64 0.00 0.00 178.16 178.42 3fea h ILE 60 N 0.50 1.20 -0.24 1.81 2.04 -1.03 -0.66 117.51 121.14 3fea h ILE 60 Ca 0.14 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 3fea h ILE 60 Cb 0.12 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.00 3fea h ILE 60 CO -0.02 0.23 -0.18 0.24 0.00 0.00 0.00 178.15 178.43 3fea h MET 61 N 1.29 0.55 -0.32 2.37 2.86 -0.94 -0.79 114.93 119.94 3fea h MET 61 Ca 0.38 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3fea h MET 61 Cb -0.05 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3fea h MET 61 CO -0.11 0.85 0.11 0.28 1.06 0.00 0.00 176.91 179.10 3fea h VAL 62 N 0.26 0.91 -0.01 -2.22 2.07 -0.61 -2.42 116.25 114.23 3fea h VAL 62 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3fea h VAL 62 Cb 0.72 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3fea h VAL 62 CO 0.05 0.04 -0.07 0.29 0.02 0.00 0.00 177.57 177.91 3fea n LYS 63 N -5.03 1.10 -3.64 1.57 4.76 -0.28 -4.94 118.16 111.70 3fea n LYS 63 Ca 0.00 -0.46 -0.21 0.00 -2.87 0.00 0.00 58.31 54.77 3fea n LYS 63 Cb 0.12 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.86 3fea n LYS 63 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3fea n GLN 64 N -0.54 -4.75 0.09 1.97 1.13 -0.51 -4.91 117.38 109.85 3fea n GLN 64 Ca 0.18 0.65 0.12 0.00 -1.94 0.00 0.00 57.00 56.01 3fea n GLN 64 Cb 0.28 -5.24 0.11 0.00 0.11 0.00 0.00 30.24 25.50 3fea n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3fea h LEU 65 N -1.83 0.00-10.19 1.08 3.38 -1.48 -3.46 115.31 102.81 3fea h LEU 65 Ca -0.61 -0.12 -0.48 0.00 0.09 0.00 0.00 57.88 56.76 3fea h LEU 65 Cb 1.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3fea h LEU 65 CO 0.54 0.06 0.29 -0.72 0.09 0.00 0.00 178.44 178.70 3fea s TYR 66 N -3.24 3.47 -0.27 1.13 -0.85 -1.26 -0.81 117.35 115.51 3fea s TYR 66 Ca 0.04 1.31 -0.29 0.00 -0.52 0.00 0.00 57.07 57.61 3fea s TYR 66 Cb 0.11 -2.67 0.01 0.00 0.38 0.00 0.00 41.96 39.79 3fea s TYR 66 CO 0.74 -0.30 1.10 0.34 -1.52 0.00 0.00 175.55 175.92 3fea s ASP 67 N -3.17 6.96 0.58 -0.18 -1.08 -0.18 -4.90 116.67 114.70 3fea s ASP 67 Ca 0.56 1.23 0.28 0.00 -0.52 0.00 0.00 52.55 54.10 3fea s ASP 67 Cb -0.10 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.39 3fea s ASP 67 CO 0.33 -0.82 2.05 1.56 0.52 0.00 0.00 175.17 178.81 3fea h GLN 68 N 8.02 0.00 -0.12 4.34 1.08 -1.95 -1.29 115.11 125.19 3fea h GLN 68 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3fea h GLN 68 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3fea h GLN 68 CO 1.01 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.93 3fea n GLN 69 N -3.89 2.16 -2.83 1.46 1.13 -1.26 -4.63 117.38 109.52 3fea n GLN 69 Ca 0.04 -1.93 -0.07 0.00 -1.94 0.00 0.00 57.00 53.10 3fea n GLN 69 Cb 0.41 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.32 3fea n GLN 69 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3fea n GLU 70 N 1.28 0.52 0.00 -1.09 2.13 -0.51 -5.06 120.64 117.91 3fea n GLU 70 Ca 0.14 -2.16 0.13 0.00 0.66 0.00 0.00 57.16 55.94 3fea n GLU 70 Cb 0.56 -1.49 0.67 0.00 0.27 0.00 0.00 31.44 31.45 3fea n GLU 70 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3fea n GLN 71 N 2.84 0.39 0.05 5.31 6.02 -1.08 -1.14 117.38 129.77 3fea n GLN 71 Ca 0.19 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.35 3fea n GLN 71 Cb 0.55 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.74 3fea n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3fea n HIS 72 N -1.27 0.47 -3.42 1.08 1.44 -1.26 -4.72 115.22 107.54 3fea n HIS 72 Ca 0.13 0.14 -0.37 0.00 -2.01 0.00 0.00 57.72 55.60 3fea n HIS 72 Cb 0.20 -0.68 -0.06 0.00 0.12 0.00 0.00 29.99 29.57 3fea n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3fea s MET 73 N -3.07 4.24 -0.12 -1.40 -1.94 -0.29 -0.22 119.30 116.50 3fea s MET 73 Ca 0.11 0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 3fea s MET 73 Cb 0.15 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 3fea s MET 73 CO 0.60 0.27 -0.18 0.08 -0.01 0.00 0.00 175.02 175.79 3fea s VAL 74 N 0.30 2.60 -0.36 -6.03 1.01 -0.17 -1.01 120.40 116.73 3fea s VAL 74 Ca 0.22 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3fea s VAL 74 Cb -0.15 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.25 3fea s VAL 74 CO 0.09 0.54 0.12 -0.31 0.00 0.00 0.00 175.10 175.54 3fea s TYR 75 N 0.41 3.40 -0.18 5.22 1.51 0.01 -1.23 117.35 126.50 3fea s TYR 75 Ca -0.13 -1.99 0.02 0.00 -1.01 0.00 0.00 57.07 53.96 3fea s TYR 75 Cb -0.17 -2.67 0.06 0.00 -0.11 0.00 0.00 41.96 39.07 3fea s TYR 75 CO 0.06 -0.86 1.04 0.00 -1.11 0.00 0.00 175.55 174.67 3fea s GLY 77 N -0.98 1.65 0.00 0.00 0.00 -0.85 -1.83 107.32 105.31 3fea s GLY 77 Ca 0.04 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.23 3fea s GLY 77 CO 0.03 2.65 0.00 0.61 0.00 0.00 0.00 173.10 176.38 3fea n GLY 78 N 3.35 0.46 3.62 0.20 0.00 -1.26 -5.01 105.19 106.55 3fea n GLY 78 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3fea n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fea s ASP 79 N -2.07 4.63 0.37 1.61 2.15 -0.76 -5.03 116.67 117.56 3fea s ASP 79 Ca 0.00 -0.34 0.12 0.00 0.43 0.00 0.00 52.55 52.76 3fea s ASP 79 Cb 0.00 -0.96 0.92 0.00 -0.30 0.00 0.00 42.92 42.58 3fea s ASP 79 CO 0.00 0.16 1.84 0.25 -0.17 0.00 0.00 175.17 177.25 3fea h LEU 80 N 3.37 0.58 -0.93 -1.34 5.85 -1.96 -0.62 115.31 120.26 3fea h LEU 80 Ca -0.48 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3fea h LEU 80 Cb 1.17 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3fea h LEU 80 CO 0.55 0.24 0.60 0.25 -0.34 0.00 0.00 178.44 179.75 3fea h LEU 81 N 0.58 0.99 -0.84 2.25 5.85 -1.96 -1.60 115.31 120.59 3fea h LEU 81 Ca 0.49 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.17 3fea h LEU 81 Cb 0.97 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3fea h LEU 81 CO -0.24 0.67 0.36 1.23 -0.34 0.00 0.00 178.44 180.13 3fea h GLY 82 N 1.15 1.29 0.91 3.75 0.00 -0.93 -1.10 103.07 108.14 3fea h GLY 82 Ca 0.38 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3fea h GLY 82 CO -0.13 0.64 0.40 -2.09 0.00 0.00 0.00 176.54 175.35 3fea h GLU 83 N 1.18 0.76 -0.34 4.80 4.81 -0.96 0.71 114.58 125.55 3fea h GLU 83 Ca 0.28 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 3fea h GLU 83 Cb 0.17 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3fea h GLU 83 CO -0.03 0.51 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.35 3fea h LEU 84 N 0.79 0.79 -0.46 1.64 3.38 -0.96 -3.03 115.31 117.45 3fea h LEU 84 Ca 0.25 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3fea h LEU 84 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3fea h LEU 84 CO -0.09 1.06 -0.08 -0.07 0.09 0.00 0.00 178.44 179.36 3fea h LEU 85 N 0.63 0.00 -0.40 1.67 3.38 -0.97 -3.45 115.31 116.17 3fea h LEU 85 Ca 0.06 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.67 3fea h LEU 85 Cb 0.87 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.73 3fea h LEU 85 CO 0.08 0.08 -0.60 0.61 0.09 0.00 0.00 178.44 178.69 3fea n GLY 86 N 0.77 -0.41 2.97 0.83 0.00 0.20 -4.95 105.19 104.59 3fea n GLY 86 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3fea n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fea s ARG 87 N -6.04 0.30 0.04 1.61 1.81 -0.94 -5.03 118.95 110.70 3fea s ARG 87 Ca 0.47 -0.45 0.14 0.00 -1.72 0.00 0.00 55.73 54.17 3fea s ARG 87 Cb -0.21 -0.06 -0.16 0.00 -0.45 0.00 0.00 34.95 34.07 3fea s ARG 87 CO 0.58 0.00 0.85 1.96 -0.68 0.00 0.00 175.30 178.01 3fea h GLN 88 N 5.13 0.00 -3.20 3.54 1.08 -1.90 -3.39 115.11 116.38 3fea h GLN 88 Ca -0.30 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.85 3fea h GLN 88 Cb 1.21 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.50 3fea h GLN 88 CO 0.44 0.43 0.02 -1.54 -0.95 0.00 0.00 178.83 177.23 3fea s SER 89 N -6.02 -0.35 0.12 1.46 1.04 -1.26 -1.39 113.70 107.30 3fea s SER 89 Ca -0.03 -0.16 -0.18 0.00 0.48 0.00 0.00 55.95 56.06 3fea s SER 89 Cb 0.08 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3fea s SER 89 CO 0.81 -0.86 0.45 0.72 0.98 0.00 0.00 173.24 175.34 3fea s PHE 90 N -3.57 -0.29 -0.13 5.02 -0.12 -0.36 -4.98 117.98 113.55 3fea s PHE 90 Ca 0.01 0.05 -0.15 0.00 -0.05 0.00 0.00 56.93 56.80 3fea s PHE 90 Cb 0.01 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 3fea s PHE 90 CO -0.11 -0.71 0.34 0.45 -0.05 0.00 0.00 175.22 175.15 3fea s SER 91 N -2.64 6.54 0.64 1.98 0.15 -1.26 -1.00 113.70 118.10 3fea s SER 91 Ca 0.01 0.64 0.39 0.00 0.70 0.00 0.00 55.95 57.69 3fea s SER 91 Cb 0.01 -2.21 2.19 0.00 -1.71 0.00 0.00 66.02 64.30 3fea s SER 91 CO -0.10 0.12 2.33 0.58 1.20 0.00 0.00 173.24 177.37 3fea h VAL 92 N 4.53 0.22 0.00 4.45 2.07 -0.97 -2.02 116.25 124.53 3fea h VAL 92 Ca -0.43 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3fea h VAL 92 Cb 1.18 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3fea h VAL 92 CO 0.73 0.00 0.00 0.11 0.02 0.00 0.00 177.57 178.43 3fea h LYS 93 N 0.00 0.00 -4.73 1.57 1.57 -1.94 -3.40 116.57 109.65 3fea h LYS 93 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3fea h LYS 93 Cb 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 31.95 3fea h LYS 93 CO 0.00 0.00 -0.70 0.34 -0.57 0.00 0.00 179.45 178.52 3fea s ASP 94 N -4.61 4.82 0.00 0.86 -1.08 -0.76 -4.99 116.67 110.91 3fea s ASP 94 Ca 0.04 -1.63 0.23 0.00 -0.52 0.00 0.00 52.55 50.67 3fea s ASP 94 Cb 0.09 -1.67 1.03 0.00 -1.46 0.00 0.00 42.92 40.91 3fea s ASP 94 CO 0.44 -0.32 1.75 -0.81 0.52 0.00 0.00 175.17 176.75 3fea n PRO 95 N 4.49 0.07 -0.06 4.34 -0.04 -1.26 -4.33 135.00 138.21 3fea n PRO 95 Ca -0.08 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 3fea n PRO 95 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3fea n PRO 95 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fea h SER 96 N 0.00 0.20 0.25 3.54 0.87 -1.94 -0.42 113.55 116.05 3fea h SER 96 Ca 0.00 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3fea h SER 96 Cb 0.36 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3fea h SER 96 CO 0.00 0.15 -0.29 1.55 -0.53 0.00 0.00 176.83 177.71 3fea h PRO 97 N 0.27 0.07 -0.19 2.24 0.13 -1.97 -0.96 132.00 131.59 3fea h PRO 97 Ca 0.10 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 3fea h PRO 97 Cb 0.01 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 3fea h PRO 97 CO -0.06 0.36 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.97 3fea h LEU 98 N 0.07 0.35 -0.65 1.56 3.38 -1.70 -2.11 115.31 116.20 3fea h LEU 98 Ca 0.01 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3fea h LEU 98 Cb 0.55 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3fea h LEU 98 CO 0.04 0.63 0.42 0.22 0.09 0.00 0.00 178.44 179.84 3fea h TYR 99 N 0.07 0.79 -0.58 1.13 3.20 -0.83 -0.53 116.97 120.22 3fea h TYR 99 Ca 0.05 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3fea h TYR 99 Cb 0.47 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3fea h TYR 99 CO 0.05 0.48 0.33 -0.44 -1.64 0.00 0.00 178.16 176.94 3fea h ASP 100 N 0.84 0.52 -0.41 -2.11 3.32 -1.10 -0.35 116.42 117.13 3fea h ASP 100 Ca 0.25 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3fea h ASP 100 Cb -0.04 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3fea h ASP 100 CO -0.08 0.36 0.11 -0.03 -1.72 0.00 0.00 179.24 177.88 3fea h MET 101 N 0.65 0.65 -0.73 3.56 4.05 -0.93 -2.84 114.93 119.35 3fea h MET 101 Ca 0.24 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3fea h MET 101 Cb 0.08 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 3fea h MET 101 CO -0.13 0.66 0.31 -0.07 0.23 0.00 0.00 176.91 177.92 3fea h LEU 102 N 0.53 0.97 -1.24 3.39 3.38 -0.63 -1.02 115.31 120.70 3fea h LEU 102 Ca 0.13 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3fea h LEU 102 Cb 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3fea h LEU 102 CO -0.00 0.85 0.54 0.03 0.09 0.00 0.00 178.44 179.95 3fea h ARG 103 N 1.05 0.90 0.00 1.13 3.08 -0.90 -1.39 114.38 118.25 3fea h ARG 103 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3fea h ARG 103 Cb 0.17 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3fea h ARG 103 CO -0.03 0.60 -0.40 0.87 -1.07 0.00 0.00 179.97 179.94 3fea h LYS 104 N 0.93 0.00 0.00 0.04 1.57 -1.15 -3.39 116.57 114.57 3fea h LYS 104 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3fea h LYS 104 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fea h LYS 104 CO -0.12 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.85 3fea n ASN 105 N -2.60 1.02 -4.37 0.86 4.13 -0.45 -4.98 115.26 108.88 3fea n ASN 105 Ca 0.03 -1.06 -0.32 0.00 1.68 0.00 0.00 54.58 54.91 3fea n ASN 105 Cb 0.49 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.59 3fea n ASN 105 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fea s LEU 106 N -0.06 2.55 -0.12 3.41 1.43 -0.56 -0.83 118.68 124.50 3fea s LEU 106 Ca 0.00 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3fea s LEU 106 Cb 0.00 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 3fea s LEU 106 CO 0.00 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 3fea s VAL 107 N -0.08 3.30 -0.73 -1.59 1.01 -0.37 -4.89 120.40 117.05 3fea s VAL 107 Ca -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3fea s VAL 107 Cb -0.14 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3fea s VAL 107 CO 0.04 0.53 0.69 1.07 0.00 0.00 0.00 175.10 177.43