#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b88 s THR 2 N 0.00 3.02 0.30 3.17 -4.23 -1.26 -4.16 115.64 112.48 3b88 s THR 2 Ca 0.00 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 3b88 s THR 2 Cb 0.00 -3.29 0.13 0.00 1.34 0.00 0.00 72.50 70.68 3b88 s THR 2 CO 0.00 -0.35 1.81 -0.03 -0.54 0.00 0.00 174.62 175.51 3b88 h MET 3 N -0.60 0.65 -0.63 3.99 4.05 -1.99 0.18 114.93 120.59 3b88 h MET 3 Ca -0.45 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 58.80 3b88 h MET 3 Cb 1.28 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 3b88 h MET 3 CO 0.63 0.67 0.37 1.49 0.23 0.00 0.00 176.91 180.30 3b88 h GLU 4 N 0.61 0.86 -0.71 0.39 4.81 -2.00 -1.41 114.58 117.12 3b88 h GLU 4 Ca 0.12 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3b88 h GLU 4 Cb 0.40 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3b88 h GLU 4 CO 0.02 0.62 0.26 1.96 -0.73 0.00 0.00 179.01 181.14 3b88 h GLN 5 N 0.85 1.09 -0.26 1.92 4.20 -1.82 -2.87 115.11 118.22 3b88 h GLN 5 Ca 0.22 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3b88 h GLN 5 Cb -0.01 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3b88 h GLN 5 CO -0.04 0.91 0.16 0.35 -0.67 0.00 0.00 178.83 179.54 3b88 h PHE 6 N 1.04 0.29 -0.55 2.96 3.57 -0.62 -0.46 116.94 123.18 3b88 h PHE 6 Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3b88 h PHE 6 Cb 0.25 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3b88 h PHE 6 CO 0.02 0.18 0.23 -0.07 -2.23 0.00 0.00 178.31 176.44 3b88 h LEU 7 N 0.32 0.75 -1.00 0.59 3.38 -1.23 -2.18 115.31 115.93 3b88 h LEU 7 Ca 0.10 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3b88 h LEU 7 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3b88 h LEU 7 CO -0.04 0.70 -0.29 0.74 0.09 0.00 0.00 178.44 179.63 3b88 h THR 8 N 0.75 1.27 0.00 0.22 2.02 -1.40 -2.90 112.91 112.86 3b88 h THR 8 Ca 0.18 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 3b88 h THR 8 Cb 0.17 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3b88 h THR 8 CO -0.02 0.40 -0.12 0.77 0.37 0.00 0.00 175.52 176.92 3b88 h SER 9 N 0.32 0.00 -0.62 4.18 4.64 -0.46 -2.72 113.55 118.90 3b88 h SER 9 Ca 0.04 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3b88 h SER 9 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 3b88 h SER 9 CO 0.05 0.12 0.36 -0.07 -0.87 0.00 0.00 176.83 176.43 3b88 h LEU 10 N 0.00 0.57 -0.64 5.97 3.38 -1.24 0.11 115.31 123.46 3b88 h LEU 10 Ca -0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3b88 h LEU 10 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3b88 h LEU 10 CO 0.02 0.39 0.05 0.44 0.09 0.00 0.00 178.44 179.43 3b88 h ASP 11 N 0.70 1.06 -0.34 -0.43 3.32 -1.62 -1.80 116.42 117.31 3b88 h ASP 11 Ca 0.26 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3b88 h ASP 11 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3b88 h ASP 11 CO -0.13 1.08 -0.05 0.24 -1.72 0.00 0.00 179.24 178.66 3b88 h MET 12 N 1.00 0.64 -0.22 3.56 2.86 -1.22 -1.61 114.93 119.94 3b88 h MET 12 Ca 0.19 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3b88 h MET 12 Cb 0.51 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3b88 h MET 12 CO 0.02 0.79 0.08 0.82 1.06 0.00 0.00 176.91 179.68 3b88 h ILE 13 N 0.43 0.95 -0.98 -1.22 2.04 -0.80 -2.81 117.51 115.12 3b88 h ILE 13 Ca 0.09 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3b88 h ILE 13 Cb 0.54 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3b88 h ILE 13 CO 0.03 0.03 0.63 -0.09 0.00 0.00 0.00 178.15 178.75 3b88 h ARG 14 N 0.18 1.07 0.00 2.37 2.43 -1.19 -1.75 114.38 117.49 3b88 h ARG 14 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3b88 h ARG 14 Cb 0.06 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3b88 h ARG 14 CO -0.09 0.71 -0.12 0.66 -1.51 0.00 0.00 179.97 179.62 3b88 h SER 15 N 1.10 0.00 0.48 -3.80 4.64 -1.03 0.32 113.55 115.26 3b88 h SER 15 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3b88 h SER 15 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3b88 h SER 15 CO -0.19 0.12 -0.18 0.61 -0.87 0.00 0.00 176.83 176.32 3b88 n GLY 16 N -0.58 -1.06 0.89 -0.77 0.00 -0.67 -4.55 105.19 98.45 3b88 n GLY 16 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3b88 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b88 h ALA 18 N 0.00 1.39 0.00 0.00 0.00 -0.67 -1.57 119.26 118.41 3b88 h ALA 18 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3b88 h ALA 18 Cb 0.89 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3b88 h ALA 18 CO 0.00 -0.39 0.00 -1.35 0.00 0.00 0.00 179.25 177.51 3b88 h PRO 19 N 0.33 0.00 -0.00 0.00 0.11 -1.80 -2.02 132.00 128.62 3b88 h PRO 19 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3b88 h PRO 19 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3b88 h PRO 19 CO -0.57 0.00 -0.02 1.63 -0.21 0.00 0.00 178.00 178.83 3b88 n LYS 20 N -2.44 0.11 -4.24 1.05 5.02 -0.59 -4.90 118.16 112.16 3b88 n LYS 20 Ca -0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 3b88 n LYS 20 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 3b88 n LYS 20 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b88 s PHE 21 N -2.89 1.22 -0.43 2.13 0.40 -0.76 -5.12 117.98 112.53 3b88 s PHE 21 Ca 0.18 -0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 55.52 3b88 s PHE 21 Cb 0.19 -0.64 0.03 0.00 0.51 0.00 0.00 43.02 43.11 3b88 s PHE 21 CO 0.52 0.03 0.48 0.21 0.70 0.00 0.00 175.22 177.15 3b88 s LYS 22 N -3.78 3.12 0.06 0.44 2.20 -1.26 -4.99 119.74 115.53 3b88 s LYS 22 Ca 0.17 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3b88 s LYS 22 Cb 0.03 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 3b88 s LYS 22 CO 0.00 -0.90 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.45 3b88 s LEU 23 N 2.26 2.27 -0.18 5.43 1.43 -1.26 -4.68 118.68 123.94 3b88 s LEU 23 Ca 0.14 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3b88 s LEU 23 Cb -0.17 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 3b88 s LEU 23 CO 0.14 -0.11 0.32 -0.54 0.23 0.00 0.00 176.35 176.40 3b88 s LYS 24 N -1.68 4.21 0.32 1.70 1.02 -1.26 -4.98 119.74 119.07 3b88 s LYS 24 Ca -0.04 0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.14 3b88 s LYS 24 Cb -0.10 -3.48 0.81 0.00 -0.52 0.00 0.00 37.83 34.54 3b88 s LYS 24 CO 0.02 0.11 1.78 1.15 -0.92 0.00 0.00 175.35 177.49 3b88 h THR 25 N 4.85 0.68 -0.90 2.17 2.02 -2.00 -0.39 112.91 119.34 3b88 h THR 25 Ca -0.39 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3b88 h THR 25 Cb 1.16 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3b88 h THR 25 CO 0.73 0.13 0.54 -0.08 0.37 0.00 0.00 175.52 177.21 3b88 h GLU 26 N 0.70 1.21 -0.35 6.66 4.81 -2.00 -1.18 114.58 124.43 3b88 h GLU 26 Ca 0.58 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 3b88 h GLU 26 Cb 0.99 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3b88 h GLU 26 CO -0.37 0.85 0.12 -0.44 -0.73 0.00 0.00 179.01 178.44 3b88 h ASP 27 N 1.23 0.50 -0.74 1.04 5.19 -1.49 -2.54 116.42 119.63 3b88 h ASP 27 Ca 0.32 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 3b88 h ASP 27 Cb -0.05 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.29 3b88 h ASP 27 CO -0.06 0.56 0.23 -0.07 -3.12 0.00 0.00 179.24 176.78 3b88 h LEU 28 N 0.42 1.07 -0.64 1.55 3.38 -1.09 -2.05 115.31 117.96 3b88 h LEU 28 Ca 0.11 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3b88 h LEU 28 Cb 0.23 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3b88 h LEU 28 CO -0.01 1.00 0.30 0.44 0.09 0.00 0.00 178.44 180.26 3b88 h ASP 29 N 1.09 0.38 -0.33 -0.43 3.32 -1.03 0.12 116.42 119.55 3b88 h ASP 29 Ca 0.24 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 3b88 h ASP 29 Cb 0.31 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3b88 h ASP 29 CO -0.01 0.23 -0.20 0.03 -1.72 0.00 0.00 179.24 177.58 3b88 h ARG 30 N 0.54 0.71 -0.79 3.56 3.08 -1.23 -2.92 114.38 117.33 3b88 h ARG 30 Ca 0.31 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3b88 h ARG 30 Cb 0.30 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3b88 h ARG 30 CO -0.25 0.93 0.46 -0.07 -1.07 0.00 0.00 179.97 179.97 3b88 h LEU 31 N 0.48 0.96 -1.96 3.04 3.38 -1.00 0.36 115.31 120.58 3b88 h LEU 31 Ca 0.07 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3b88 h LEU 31 Cb 0.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3b88 h LEU 31 CO 0.06 0.76 0.24 -0.09 0.09 0.00 0.00 178.44 179.50 3b88 h ARG 32 N 1.08 0.05 -0.59 1.13 9.65 -0.59 0.18 114.38 125.30 3b88 h ARG 32 Ca 0.28 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 3b88 h ARG 32 Cb -0.01 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3b88 h ARG 32 CO -0.05 0.03 0.00 1.33 2.80 0.00 0.00 179.97 184.08 3b88 n VAL 33 N -4.45 0.81 -1.06 0.20 0.24 -1.06 -3.26 118.33 109.76 3b88 n VAL 33 Ca 0.05 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 3b88 n VAL 33 Cb 0.38 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3b88 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b88 n GLY 34 N 1.54 0.39 3.40 7.63 0.00 0.05 -4.63 105.19 113.56 3b88 n GLY 34 Ca 0.22 -1.07 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 3b88 n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b88 s ASP 35 N -2.99 6.66 -0.09 1.61 -1.08 0.12 -4.83 116.67 116.08 3b88 s ASP 35 Ca 0.00 -2.26 0.15 0.00 -0.52 0.00 0.00 52.55 49.92 3b88 s ASP 35 Cb 0.00 -2.32 0.59 0.00 -1.46 0.00 0.00 42.92 39.73 3b88 s ASP 35 CO 0.00 -0.88 1.47 0.49 0.52 0.00 0.00 175.17 176.77 3b88 n PHE 36 N 5.57 1.22 -1.82 -5.34 3.01 -1.26 -3.86 117.46 114.99 3b88 n PHE 36 Ca 0.19 -0.49 -0.40 0.00 1.01 0.00 0.00 57.45 57.76 3b88 n PHE 36 Cb 0.48 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 3b88 n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3b88 n ASN 37 N 0.89 8.18 -3.48 4.37 4.13 -1.26 -4.82 115.26 123.26 3b88 n ASN 37 Ca 0.21 -2.99 -0.14 0.00 1.68 0.00 0.00 54.58 53.34 3b88 n ASN 37 Cb 0.75 -1.42 -0.04 0.00 -1.54 0.00 0.00 39.78 37.54 3b88 n ASN 37 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3b88 s PHE 38 N -0.25 -0.54 -0.01 3.10 -0.12 -1.26 -5.14 117.98 113.75 3b88 s PHE 38 Ca 0.58 0.63 -0.30 0.00 -0.05 0.00 0.00 56.93 57.79 3b88 s PHE 38 Cb 0.18 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3b88 s PHE 38 CO -0.08 -0.67 1.20 -2.14 -0.05 0.00 0.00 175.22 173.48 3b88 s PRO 39 N -2.47 4.38 0.33 1.99 0.02 -1.26 -5.01 135.00 132.99 3b88 s PRO 39 Ca -0.03 1.71 -0.26 0.00 0.02 0.00 0.00 61.00 62.44 3b88 s PRO 39 Cb -0.01 -3.48 -0.10 0.00 0.02 0.00 0.00 34.50 30.93 3b88 s PRO 39 CO -0.03 -0.37 0.96 -1.25 -0.33 0.00 0.00 177.00 175.98 3b88 s PRO 40 N 1.79 4.53 0.90 5.54 0.04 -1.26 -5.08 135.00 141.46 3b88 s PRO 40 Ca 0.57 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 3b88 s PRO 40 Cb -0.26 -2.76 0.13 0.00 0.04 0.00 0.00 34.50 31.64 3b88 s PRO 40 CO 0.25 0.22 1.10 -1.54 0.04 0.00 0.00 177.00 177.07 3b88 s SER 41 N -1.61 3.52 0.22 6.66 1.04 -1.26 -4.89 113.70 117.38 3b88 s SER 41 Ca 0.51 1.38 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 3b88 s SER 41 Cb -0.19 -2.06 0.26 0.00 0.10 0.00 0.00 66.02 64.13 3b88 s SER 41 CO 0.24 -2.59 1.82 -0.61 0.98 0.00 0.00 173.24 173.08 3b88 h GLN 42 N -1.52 0.71 -0.21 4.02 5.75 -1.98 -2.13 115.11 119.76 3b88 h GLN 42 Ca -0.50 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 57.99 3b88 h GLN 42 Cb 1.29 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 3b88 h GLN 42 CO 0.56 0.47 0.01 -0.44 -2.65 0.00 0.00 178.83 176.78 3b88 h ASP 43 N 0.74 -0.06 -0.70 -0.69 5.19 -1.93 -0.94 116.42 118.03 3b88 h ASP 43 Ca 0.31 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.82 3b88 h ASP 43 Cb 0.19 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 3b88 h ASP 43 CO -0.18 -0.00 0.41 0.25 -3.12 0.00 0.00 179.24 176.60 3b88 h LEU 44 N 0.08 0.63 -0.71 1.55 5.85 -1.78 0.18 115.31 121.11 3b88 h LEU 44 Ca 0.10 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3b88 h LEU 44 Cb 0.11 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3b88 h LEU 44 CO -0.15 0.42 0.25 0.24 -0.34 0.00 0.00 178.44 178.85 3b88 h MET 45 N 0.77 1.09 0.00 1.25 2.86 -1.10 -2.17 114.93 117.63 3b88 h MET 45 Ca 0.30 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3b88 h MET 45 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3b88 h MET 45 CO -0.16 0.92 -0.30 0.00 1.06 0.00 0.00 176.91 178.44 3b88 h TYR 47 N 0.00 0.44 -0.36 0.00 3.20 -0.23 -1.69 116.97 118.33 3b88 h TYR 47 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3b88 h TYR 47 Cb 0.94 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3b88 h TYR 47 CO 0.00 0.31 0.18 1.79 -1.64 0.00 0.00 178.16 178.80 3b88 h THR 48 N 0.44 1.12 -0.15 1.81 1.35 -0.94 -1.15 112.91 115.41 3b88 h THR 48 Ca 0.12 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 3b88 h THR 48 Cb -0.01 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 3b88 h THR 48 CO -0.02 0.14 0.04 0.50 -0.25 0.00 0.00 175.52 175.92 3b88 h LYS 49 N 0.50 0.23 -0.36 4.72 3.64 -1.27 -1.53 116.57 122.50 3b88 h LYS 49 Ca 0.13 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3b88 h LYS 49 Cb 0.04 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3b88 h LYS 49 CO -0.02 0.38 0.06 0.00 -2.27 0.00 0.00 179.45 177.60 3b88 h VAL 51 N 0.18 0.99 -0.12 0.00 2.07 -1.20 -2.45 116.25 115.72 3b88 h VAL 51 Ca 0.17 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 3b88 h VAL 51 Cb 0.20 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3b88 h VAL 51 CO -0.23 0.11 -0.56 0.28 0.02 0.00 0.00 177.57 177.19 3b88 h SER 52 N 0.60 0.39 -0.78 0.57 0.02 -0.48 -2.32 113.55 111.55 3b88 h SER 52 Ca 0.25 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3b88 h SER 52 Cb 0.12 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3b88 h SER 52 CO -0.15 0.87 0.40 -0.07 -1.14 0.00 0.00 176.83 176.74 3b88 h LEU 53 N 0.27 1.01 -1.25 5.07 3.38 -0.65 -2.12 115.31 121.02 3b88 h LEU 53 Ca 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3b88 h LEU 53 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3b88 h LEU 53 CO 0.09 0.83 0.19 -0.03 0.09 0.00 0.00 178.44 179.62 3b88 h MET 54 N 1.12 0.71 0.00 1.13 4.05 -0.93 -1.81 114.93 119.19 3b88 h MET 54 Ca 0.28 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3b88 h MET 54 Cb 0.07 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3b88 h MET 54 CO -0.04 0.59 0.00 0.00 0.23 0.00 0.00 176.91 177.69 3b88 h ALA 55 N 1.51 1.00 -1.17 0.39 0.00 -1.10 -3.46 119.26 116.43 3b88 h ALA 55 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 3b88 h ALA 55 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3b88 h ALA 55 CO -0.02 0.00 -0.27 0.41 0.00 0.00 0.00 179.25 179.38 3b88 n GLY 56 N 0.22 0.57 0.09 0.00 0.00 -0.68 -4.93 105.19 100.46 3b88 n GLY 56 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 3b88 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b88 h ALA 57 N 0.29 0.48 -2.14 4.61 0.00 -1.65 -3.40 119.26 117.47 3b88 h ALA 57 Ca -0.27 -1.20 -0.50 0.00 0.00 0.00 0.00 54.91 52.94 3b88 h ALA 57 Cb 1.01 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 3b88 h ALA 57 CO 0.35 1.34 -0.71 0.14 0.00 0.00 0.00 179.25 180.38 3b88 s VAL 58 N -2.63 1.80 0.59 0.00 -7.23 -1.24 -0.57 120.40 111.12 3b88 s VAL 58 Ca -0.05 -2.19 0.02 0.00 -1.81 0.00 0.00 61.98 57.95 3b88 s VAL 58 Cb 0.08 -2.30 0.11 0.00 0.56 0.00 0.00 36.38 34.84 3b88 s VAL 58 CO 0.83 -0.41 0.82 -0.46 -0.31 0.00 0.00 175.10 175.56 3b88 n ASN 59 N -0.52 1.36 0.13 4.85 0.23 -0.92 -4.66 115.26 115.74 3b88 n ASN 59 Ca -0.06 -2.09 0.12 0.00 -0.53 0.00 0.00 54.58 52.02 3b88 n ASN 59 Cb 0.62 -0.51 0.49 0.00 -2.08 0.00 0.00 39.78 38.30 3b88 n ASN 59 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b88 n LYS 60 N -2.46 0.21 0.00 -3.83 5.02 -1.26 -0.51 118.16 115.34 3b88 n LYS 60 Ca 0.14 0.40 0.15 0.00 -2.02 0.00 0.00 58.31 56.99 3b88 n LYS 60 Cb 0.51 -1.88 0.72 0.00 -0.02 0.00 0.00 35.03 34.36 3b88 n LYS 60 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3b88 n LYS 61 N -2.28 0.96 -1.06 1.97 5.02 -1.26 -4.88 118.16 116.63 3b88 n LYS 61 Ca 0.02 -0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.02 3b88 n LYS 61 Cb 0.26 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 3b88 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b88 n GLY 62 N 1.16 0.56 3.68 0.72 0.00 0.33 -4.20 105.19 107.45 3b88 n GLY 62 Ca 0.19 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3b88 n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b88 s GLU 63 N -1.72 4.36 0.10 1.61 2.02 -1.26 -4.22 118.70 119.60 3b88 s GLU 63 Ca 0.00 1.31 -0.30 0.00 0.02 0.00 0.00 54.97 55.99 3b88 s GLU 63 Cb 0.00 -3.57 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 3b88 s GLU 63 CO 0.00 -0.38 1.21 0.12 0.02 0.00 0.00 175.26 176.23 3b88 s PHE 64 N 2.28 3.43 -0.70 1.61 5.36 -1.26 -2.15 117.98 126.53 3b88 s PHE 64 Ca 0.45 1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 57.70 3b88 s PHE 64 Cb -0.17 -3.44 0.18 0.00 -0.34 0.00 0.00 43.02 39.25 3b88 s PHE 64 CO 0.14 -1.32 0.55 1.21 -1.46 0.00 0.00 175.22 174.34 3b88 s ASN 65 N 0.78 5.55 0.12 6.13 3.84 0.27 -4.98 114.94 126.65 3b88 s ASN 65 Ca 0.57 -3.01 -0.20 0.00 0.21 0.00 0.00 52.86 50.43 3b88 s ASN 65 Cb -0.31 -1.91 -0.04 0.00 -0.55 0.00 0.00 41.25 38.44 3b88 s ASN 65 CO 0.31 -0.35 1.73 0.00 -2.79 0.00 0.00 177.10 176.00 3b88 h ALA 66 N 6.91 0.18 -0.85 1.71 0.00 -1.91 0.25 119.26 125.55 3b88 h ALA 66 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3b88 h ALA 66 Cb 0.94 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3b88 h ALA 66 CO 0.74 -0.41 0.56 -1.35 0.00 0.00 0.00 179.25 178.79 3b88 h PRO 67 N 0.09 1.08 -0.22 0.00 0.11 -1.97 0.16 132.00 131.25 3b88 h PRO 67 Ca 0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3b88 h PRO 67 Cb 0.09 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3b88 h PRO 67 CO -0.13 0.71 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.13 3b88 h LYS 68 N 1.11 0.40 -0.06 1.05 3.64 -1.81 -2.52 116.57 118.37 3b88 h LYS 68 Ca 0.32 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3b88 h LYS 68 Cb -0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3b88 h LYS 68 CO -0.08 0.61 -0.04 0.00 -2.27 0.00 0.00 179.45 177.67 3b88 h ALA 69 N 0.77 0.01 -0.57 5.00 0.00 -0.03 0.07 119.26 124.50 3b88 h ALA 69 Ca 0.06 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3b88 h ALA 69 Cb 0.45 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3b88 h ALA 69 CO 0.02 -0.52 0.16 -0.07 0.00 0.00 0.00 179.25 178.83 3b88 h LEU 70 N -0.05 0.08 -1.43 0.00 3.38 -0.76 0.38 115.31 116.92 3b88 h LEU 70 Ca 0.04 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3b88 h LEU 70 Cb 0.11 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3b88 h LEU 70 CO -0.09 0.06 0.02 0.00 0.09 0.00 0.00 178.44 178.52 3b88 h ALA 71 N 1.43 1.55 0.00 1.53 0.00 -0.97 -2.71 119.26 120.09 3b88 h ALA 71 Ca 0.29 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3b88 h ALA 71 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3b88 h ALA 71 CO -0.34 0.34 -0.72 1.96 0.00 0.00 0.00 179.25 180.48 3b88 h GLN 72 N 0.39 0.00 -0.97 0.00 1.08 0.47 -3.39 115.11 112.67 3b88 h GLN 72 Ca 0.09 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.43 3b88 h GLN 72 Cb 0.22 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.50 3b88 h GLN 72 CO 0.00 0.72 -0.41 1.28 -0.95 0.00 0.00 178.83 179.46 3b88 n LEU 73 N -3.54 -0.70 0.23 1.46 4.77 -0.02 -0.91 117.00 118.29 3b88 n LEU 73 Ca -0.00 1.70 0.15 0.00 -0.03 0.00 0.00 56.01 57.83 3b88 n LEU 73 Cb 0.74 -0.36 0.60 0.00 -2.33 0.00 0.00 43.42 42.07 3b88 n LEU 73 CO 0.43 -1.51 1.13 -0.65 -1.33 0.00 0.00 177.39 175.46 3b88 h PRO 74 N 0.00 0.00 -0.01 3.23 0.11 -1.79 0.49 132.00 134.03 3b88 h PRO 74 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3b88 h PRO 74 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3b88 h PRO 74 CO -0.96 0.00 -0.49 0.72 -0.21 0.00 0.00 178.00 177.07 3b88 n HIS 75 N -3.02 0.00 -0.07 0.65 8.25 -0.09 -4.31 115.22 116.63 3b88 n HIS 75 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 3b88 n HIS 75 Cb 0.67 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 3b88 n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3b88 n LEU 76 N -0.11 2.51 -4.19 2.41 4.77 0.16 -4.98 117.00 117.57 3b88 n LEU 76 Ca 0.09 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 3b88 n LEU 76 Cb 0.44 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3b88 n LEU 76 CO 0.28 0.66 -0.46 0.68 -1.33 0.00 0.00 177.39 177.22 3b88 s VAL 77 N -2.28 1.18 0.68 4.08 -7.23 -0.32 -4.99 120.40 111.52 3b88 s VAL 77 Ca -0.17 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 3b88 s VAL 77 Cb 0.05 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.80 3b88 s VAL 77 CO 0.34 -0.26 1.06 -2.16 -0.31 0.00 0.00 175.10 173.78 3b88 s PRO 78 N -1.93 2.99 0.47 4.82 0.04 -1.26 -4.64 135.00 135.48 3b88 s PRO 78 Ca 0.00 1.00 0.21 0.00 0.04 0.00 0.00 61.00 62.25 3b88 s PRO 78 Cb -0.09 -2.00 1.21 0.00 0.04 0.00 0.00 34.50 33.66 3b88 s PRO 78 CO 0.02 -1.06 1.91 -1.35 0.04 0.00 0.00 177.00 176.57 3b88 h PRO 79 N -0.53 0.25 -0.04 0.56 0.11 -1.95 -0.35 132.00 130.05 3b88 h PRO 79 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3b88 h PRO 79 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3b88 h PRO 79 CO 0.57 0.16 0.05 0.93 -0.21 0.00 0.00 178.00 179.51 3b88 h GLU 80 N 0.26 0.00 -0.13 1.05 5.08 -1.93 -2.30 114.58 116.61 3b88 h GLU 80 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3b88 h GLU 80 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3b88 h GLU 80 CO -0.09 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.59 3b88 n MET 81 N -3.77 1.35 0.14 2.33 2.81 -0.16 -4.72 117.12 115.10 3b88 n MET 81 Ca -0.02 -1.42 -0.13 0.00 -1.81 0.00 0.00 57.70 54.31 3b88 n MET 81 Cb 0.14 -1.20 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 3b88 n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3b88 h MET 82 N 1.78 -0.37 -0.50 0.03 2.86 -1.22 -2.23 114.93 115.28 3b88 h MET 82 Ca 0.00 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3b88 h MET 82 Cb 0.51 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3b88 h MET 82 CO 0.00 -0.25 -0.07 1.49 1.06 0.00 0.00 176.91 179.15 3b88 h GLU 83 N -0.39 0.93 -0.83 1.72 4.57 -1.85 0.13 114.58 118.87 3b88 h GLU 83 Ca -0.00 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3b88 h GLU 83 Cb 0.36 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 3b88 h GLU 83 CO -0.04 0.99 0.54 1.98 -1.18 0.00 0.00 179.01 181.30 3b88 h MET 84 N 0.79 1.04 -0.30 1.92 4.05 -1.89 -0.70 114.93 119.85 3b88 h MET 84 Ca 0.13 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.41 3b88 h MET 84 Cb 0.61 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3b88 h MET 84 CO 0.04 0.69 -0.14 0.77 0.23 0.00 0.00 176.91 178.50 3b88 h SER 85 N 1.07 0.65 -0.70 1.39 0.02 -1.00 -0.82 113.55 114.16 3b88 h SER 85 Ca 0.32 -0.41 0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3b88 h SER 85 Cb -0.05 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.24 3b88 h SER 85 CO -0.09 0.91 0.34 0.03 -1.14 0.00 0.00 176.83 176.88 3b88 h ARG 86 N 0.39 0.55 -0.53 3.45 3.08 -0.55 -0.14 114.38 120.64 3b88 h ARG 86 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3b88 h ARG 86 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3b88 h ARG 86 CO 0.04 0.37 -0.09 0.87 -1.07 0.00 0.00 179.97 180.09 3b88 h LYS 87 N 0.57 0.99 -0.33 0.04 1.57 -1.00 -2.70 116.57 115.71 3b88 h LYS 87 Ca 0.35 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3b88 h LYS 87 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3b88 h LYS 87 CO -0.28 1.03 -0.17 0.77 -0.57 0.00 0.00 179.45 180.23 3b88 h SER 88 N 0.86 0.72 -0.38 0.86 0.02 -0.77 -1.78 113.55 113.07 3b88 h SER 88 Ca 0.14 -0.41 0.08 0.00 -0.84 0.00 0.00 61.79 60.75 3b88 h SER 88 Cb 0.65 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 3b88 h SER 88 CO 0.04 0.98 -0.09 0.58 -1.14 0.00 0.00 176.83 177.20 3b88 h VAL 89 N 0.46 0.62 0.01 2.27 2.07 -1.05 -1.55 116.25 119.09 3b88 h VAL 89 Ca 0.07 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3b88 h VAL 89 Cb 0.71 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3b88 h VAL 89 CO 0.05 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 177.24 3b88 h GLU 90 N 0.00 -0.12 0.00 1.57 4.39 -1.30 -1.81 114.58 117.30 3b88 h GLU 90 Ca 0.18 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 3b88 h GLU 90 Cb 0.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3b88 h GLU 90 CO -0.39 -0.08 -0.20 0.00 -1.16 0.00 0.00 179.01 177.18 3b88 h ALA 91 N 0.85 1.33 -0.09 3.43 0.00 -1.08 -3.25 119.26 120.45 3b88 h ALA 91 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3b88 h ALA 91 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3b88 h ALA 91 CO -0.06 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3b88 h ARG 93 N 1.81 0.00 -0.19 0.00 0.11 -1.37 -1.86 114.38 112.88 3b88 h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3b88 h ARG 93 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3b88 h ARG 93 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3b88 n ASP 94 N -2.31 2.49 -0.27 0.08 8.00 -1.26 -4.66 116.55 118.62 3b88 n ASP 94 Ca -0.00 -1.74 -0.06 0.00 0.71 0.00 0.00 54.79 53.69 3b88 n ASP 94 Cb 0.12 -0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3b88 n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3b88 h THR 95 N 2.28 1.26 0.00 -3.53 2.02 -1.65 -2.92 112.91 110.36 3b88 h THR 95 Ca 0.00 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3b88 h THR 95 Cb 0.62 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3b88 h THR 95 CO 0.00 0.33 -0.05 1.12 0.37 0.00 0.00 175.52 177.28 3b88 h HIS 96 N 1.09 0.00 0.00 3.16 2.07 -1.79 -2.81 115.15 116.86 3b88 h HIS 96 Ca 0.25 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.75 3b88 h HIS 96 Cb 0.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.20 3b88 h HIS 96 CO 0.02 0.05 -0.11 0.87 -3.07 0.00 0.00 177.93 175.69 3b88 h LYS 97 N 0.00 0.00 -0.02 5.12 1.57 -1.85 -2.43 116.57 118.97 3b88 h LYS 97 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3b88 h LYS 97 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3b88 h LYS 97 CO 0.01 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 3b88 n GLN 98 N -3.46 1.14 -4.11 3.15 6.02 -1.06 -4.85 117.38 114.21 3b88 n GLN 98 Ca -0.01 -0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 56.67 3b88 n GLN 98 Cb 0.26 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 3b88 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3b88 s PHE 99 N -1.98 0.69 -0.05 1.08 0.40 -0.91 -5.10 117.98 112.11 3b88 s PHE 99 Ca 0.39 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3b88 s PHE 99 Cb 0.18 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 3b88 s PHE 99 CO 0.30 -0.20 -0.02 1.63 0.70 0.00 0.00 175.22 177.63 3b88 n LYS 100 N 0.43 1.39 -2.72 0.44 5.02 -1.26 -4.88 118.16 116.58 3b88 n LYS 100 Ca -0.16 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.74 3b88 n LYS 100 Cb 0.59 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.45 3b88 n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3b88 s GLU 101 N -2.11 4.71 0.19 1.97 -6.30 -1.26 -4.94 118.70 110.97 3b88 s GLU 101 Ca -0.05 1.48 -0.12 0.00 -2.50 0.00 0.00 54.97 53.77 3b88 s GLU 101 Cb 0.02 -3.36 0.12 0.00 0.00 0.00 0.00 34.13 30.91 3b88 s GLU 101 CO 0.14 0.24 1.86 0.66 0.02 0.00 0.00 175.26 178.18 3b88 h SER 102 N 5.35 0.72 -0.50 -1.70 4.64 -1.90 -0.46 113.55 119.70 3b88 h SER 102 Ca -0.43 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 3b88 h SER 102 Cb 1.21 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3b88 h SER 102 CO 0.71 0.52 -0.12 0.00 -0.87 0.00 0.00 176.83 177.07 3b88 h GLU 104 N 0.88 0.82 -0.58 0.00 4.57 -1.75 -1.23 114.58 117.30 3b88 h GLU 104 Ca 0.13 -0.30 0.09 0.00 -1.18 0.00 0.00 59.36 58.11 3b88 h GLU 104 Cb 0.68 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 3b88 h GLU 104 CO 0.05 0.92 0.20 0.00 -1.18 0.00 0.00 179.01 179.00 3b88 h ARG 105 N 0.66 0.37 -0.07 1.92 3.08 -0.98 -1.00 114.38 118.36 3b88 h ARG 105 Ca 0.12 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3b88 h ARG 105 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3b88 h ARG 105 CO 0.04 0.24 -0.25 0.28 -1.07 0.00 0.00 179.97 179.21 3b88 h VAL 106 N 0.38 1.43 -0.61 2.04 2.07 -1.38 -2.25 116.25 117.93 3b88 h VAL 106 Ca 0.29 -1.64 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3b88 h VAL 106 Cb 0.35 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 3b88 h VAL 106 CO -0.30 0.47 0.24 0.22 0.02 0.00 0.00 177.57 178.22 3b88 h TYR 107 N -0.20 0.42 -0.14 1.57 3.20 -1.05 0.15 116.97 120.92 3b88 h TYR 107 Ca -0.01 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 3b88 h TYR 107 Cb 0.89 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3b88 h TYR 107 CO 0.13 0.12 -0.43 1.96 -1.64 0.00 0.00 178.16 178.29 3b88 h GLN 108 N 0.43 0.32 -0.22 1.82 1.08 -1.21 -0.38 115.11 116.94 3b88 h GLN 108 Ca 0.31 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3b88 h GLN 108 Cb 0.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3b88 h GLN 108 CO -0.30 0.70 0.06 1.15 -0.95 0.00 0.00 178.83 179.49 3b88 h THR 109 N 0.26 1.20 -0.48 -0.54 2.02 -0.61 -1.43 112.91 113.33 3b88 h THR 109 Ca 0.02 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3b88 h THR 109 Cb 0.87 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3b88 h THR 109 CO 0.07 0.20 0.25 0.00 0.37 0.00 0.00 175.52 176.42 3b88 h ALA 110 N 0.88 0.61 -0.80 6.16 0.00 -0.45 -1.02 119.26 124.65 3b88 h ALA 110 Ca 0.07 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3b88 h ALA 110 Cb 0.26 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3b88 h ALA 110 CO -0.00 0.15 0.47 -0.22 0.00 0.00 0.00 179.25 179.64 3b88 h LYS 111 N 0.63 0.80 -0.68 0.00 3.64 -1.05 -1.15 116.57 118.76 3b88 h LYS 111 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3b88 h LYS 111 Cb 0.07 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3b88 h LYS 111 CO -0.03 0.53 0.44 0.00 -2.27 0.00 0.00 179.45 178.13 3b88 h PHE 113 N 0.92 -0.27 -0.06 0.00 0.04 -0.32 -0.07 116.94 117.19 3b88 h PHE 113 Ca 0.25 0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.05 3b88 h PHE 113 Cb -0.09 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3b88 h PHE 113 CO -0.02 -0.16 0.04 0.66 -0.60 0.00 0.00 178.31 178.23 3b88 h SER 114 N -0.13 0.01 1.08 2.17 4.64 -0.89 -2.14 113.55 118.29 3b88 h SER 114 Ca 0.08 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3b88 h SER 114 Cb 0.24 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3b88 h SER 114 CO -0.19 0.01 -0.98 -0.33 -0.87 0.00 0.00 176.83 174.47 3b88 h GLU 115 N 0.01 0.00 -0.63 4.77 5.08 -0.77 -3.30 114.58 119.75 3b88 h GLU 115 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3b88 h GLU 115 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3b88 h GLU 115 CO -0.00 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 3b88 n ASN 116 N -3.08 3.78 -4.73 1.42 4.13 -0.09 -4.86 115.26 111.82 3b88 n ASN 116 Ca -0.04 -2.22 -0.40 0.00 1.68 0.00 0.00 54.58 53.60 3b88 n ASN 116 Cb 0.81 -0.48 -0.05 0.00 -1.54 0.00 0.00 39.78 38.52 3b88 n ASN 116 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3b88 s ALA 117 N -1.55 3.34 -0.32 5.41 0.00 -0.86 -4.52 121.76 123.26 3b88 s ALA 117 Ca 0.42 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 3b88 s ALA 117 Cb 0.25 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.45 3b88 s ALA 117 CO 0.24 -0.04 2.56 -0.25 0.00 0.00 0.00 175.76 178.27 3b88 n ASP 118 N 3.36 6.26 0.00 0.00 8.00 -1.26 -4.85 116.55 128.06 3b88 n ASP 118 Ca -0.01 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.47 3b88 n ASP 118 Cb 0.51 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 3b88 n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b88 n GLY 119 N 0.92 0.36 3.66 0.44 0.00 -1.26 -5.11 105.19 104.19 3b88 n GLY 119 Ca 0.39 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3b88 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b88 s GLN 120 N -1.82 4.20 -0.07 1.61 -0.21 -1.26 -5.03 119.66 117.08 3b88 s GLN 120 Ca 0.00 1.74 0.02 0.00 0.02 0.00 0.00 55.36 57.13 3b88 s GLN 120 Cb 0.00 -3.81 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 3b88 s GLN 120 CO 0.00 -0.76 -0.10 0.12 -2.12 0.00 0.00 175.29 172.43 3b88 s PHE 121 N 3.66 2.84 -0.05 0.91 2.19 -1.26 -5.03 117.98 121.23 3b88 s PHE 121 Ca 0.58 -0.11 0.03 0.00 0.33 0.00 0.00 56.93 57.76 3b88 s PHE 121 Cb -0.24 -1.70 0.00 0.00 -1.31 0.00 0.00 43.02 39.77 3b88 s PHE 121 CO 0.18 0.22 -0.15 -1.64 1.83 0.00 0.00 175.22 175.66 3b88 s MET 122 N -0.63 1.67 -0.07 10.12 -1.94 -1.26 -2.63 119.30 124.56 3b88 s MET 122 Ca 0.09 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.58 3b88 s MET 122 Cb -0.11 -1.43 -0.02 0.00 2.01 0.00 0.00 34.83 35.27 3b88 s MET 122 CO 0.01 0.16 -0.13 -0.46 -0.01 0.00 0.00 175.02 174.60 3b88 s TRP 123 N 0.25 2.76 -1.32 -0.03 -0.11 -1.18 -4.96 118.94 114.35 3b88 s TRP 123 Ca -0.07 -0.24 0.00 0.00 1.22 0.00 0.00 56.10 57.01 3b88 s TRP 123 Cb -0.12 -1.69 0.00 0.00 -1.50 0.00 0.00 33.47 30.15 3b88 s TRP 123 CO 0.03 0.12 0.33 -2.30 -4.62 0.00 0.00 176.95 170.50