#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 3.64 0.19 3.17 -4.23 -1.26 -4.05 115.64 113.10 3b88 s THR 2 Ca 0.00 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3b88 s THR 2 Cb 0.00 -3.42 0.11 0.00 1.34 0.00 0.00 72.50 70.53 3b88 s THR 2 CO 0.00 -0.69 1.75 -0.03 -0.54 0.00 0.00 174.62 175.10 3b88 h MET 3 N -0.74 0.36 -0.48 3.99 1.85 -1.99 0.33 114.93 118.25 3b88 h MET 3 Ca -0.45 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 58.69 3b88 h MET 3 Cb 1.24 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 33.13 3b88 h MET 3 CO 0.61 0.24 0.15 0.93 -0.40 0.00 0.00 176.91 178.44 3b88 h GLU 4 N 0.37 0.30 -0.53 0.39 4.39 -2.00 -0.44 114.58 117.05 3b88 h GLU 4 Ca 0.26 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 3b88 h GLU 4 Cb 0.28 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3b88 h GLU 4 CO -0.26 0.20 0.02 1.96 -1.16 0.00 0.00 179.01 179.77 3b88 h GLN 5 N 0.31 0.90 0.10 2.33 4.20 -1.83 -2.83 115.11 118.28 3b88 h GLN 5 Ca 0.23 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3b88 h GLN 5 Cb 0.26 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3b88 h GLN 5 CO -0.26 0.88 -0.05 0.35 -0.67 0.00 0.00 178.83 179.08 3b88 h PHE 6 N 0.83 -0.13 -0.92 2.96 3.57 0.01 0.25 116.94 123.52 3b88 h PHE 6 Ca 0.16 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3b88 h PHE 6 Cb 0.47 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 3b88 h PHE 6 CO 0.03 0.04 0.58 -0.07 -2.23 0.00 0.00 178.31 176.65 3b88 h LEU 7 N -0.27 0.90 -0.71 0.59 3.38 -1.10 -0.38 115.31 117.72 3b88 h LEU 7 Ca -0.01 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3b88 h LEU 7 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3b88 h LEU 7 CO 0.02 0.56 -0.41 0.74 0.09 0.00 0.00 178.44 179.44 3b88 h THR 8 N 1.03 1.30 -0.49 0.22 2.02 -1.36 -3.10 112.91 112.54 3b88 h THR 8 Ca 0.41 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 66.03 3b88 h THR 8 Cb 0.22 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3b88 h THR 8 CO -0.19 0.49 0.32 0.77 0.37 0.00 0.00 175.52 177.29 3b88 h SER 9 N 0.42 0.53 -0.64 4.18 4.64 0.77 -2.38 113.55 121.06 3b88 h SER 9 Ca 0.04 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.47 3b88 h SER 9 Cb 0.90 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.77 3b88 h SER 9 CO 0.08 0.38 0.12 -0.07 -0.87 0.00 0.00 176.83 176.46 3b88 h LEU 10 N 0.62 -0.04 -0.55 5.97 3.38 -1.32 0.31 115.31 123.67 3b88 h LEU 10 Ca 0.19 0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 3b88 h LEU 10 Cb -0.01 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3b88 h LEU 10 CO -0.04 -0.02 -0.24 0.44 0.09 0.00 0.00 178.44 178.66 3b88 h ASP 11 N 0.24 0.94 -0.52 -0.43 3.32 -1.57 -1.19 116.42 117.21 3b88 h ASP 11 Ca 0.34 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3b88 h ASP 11 Cb 0.54 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3b88 h ASP 11 CO -0.45 1.13 -0.12 0.24 -1.72 0.00 0.00 179.24 178.31 3b88 h MET 12 N 0.79 1.00 -0.30 3.56 2.86 -1.02 -1.19 114.93 120.62 3b88 h MET 12 Ca 0.10 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3b88 h MET 12 Cb 0.80 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3b88 h MET 12 CO 0.07 1.06 0.18 0.82 1.06 0.00 0.00 176.91 180.10 3b88 h ILE 13 N 0.87 1.05 -0.90 -1.22 2.04 -0.37 -2.90 117.51 116.08 3b88 h ILE 13 Ca 0.13 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3b88 h ILE 13 Cb 0.69 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3b88 h ILE 13 CO 0.05 0.07 0.59 -0.09 0.00 0.00 0.00 178.15 178.77 3b88 h ARG 14 N 0.37 1.16 0.00 2.37 2.43 -0.94 -2.06 114.38 117.70 3b88 h ARG 14 Ca 0.11 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3b88 h ARG 14 Cb -0.02 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 3b88 h ARG 14 CO -0.04 0.77 -0.09 0.66 -1.51 0.00 0.00 179.97 179.75 3b88 h SER 15 N 1.19 0.00 1.42 -3.80 4.64 -1.05 0.31 113.55 116.27 3b88 h SER 15 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3b88 h SER 15 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3b88 h SER 15 CO -0.09 0.09 0.00 1.23 -0.87 0.00 0.00 176.83 177.19 3b88 h GLY 16 N 0.27 0.00 0.00 -0.77 0.00 -1.18 -3.40 103.07 98.00 3b88 h GLY 16 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3b88 h GLY 16 CO 0.01 0.00 -1.07 0.00 0.00 0.00 0.00 176.54 175.48 3b88 h ALA 18 N -0.02 1.15 0.00 0.00 0.00 -0.63 -2.16 119.26 117.60 3b88 h ALA 18 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3b88 h ALA 18 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3b88 h ALA 18 CO -0.01 -0.13 0.00 -2.30 0.00 0.00 0.00 179.25 176.81 3b88 n PRO 19 N -4.92 0.12 0.05 0.00 -0.02 -1.26 -1.86 135.00 127.11 3b88 n PRO 19 Ca 0.15 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3b88 n PRO 19 Cb 0.40 -1.78 0.50 0.00 -0.02 0.00 0.00 33.50 32.61 3b88 n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3b88 n LYS 20 N -2.01 0.12 -4.35 -0.52 5.02 -0.81 -4.90 118.16 110.70 3b88 n LYS 20 Ca 0.01 0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 3b88 n LYS 20 Cb 0.15 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 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 -3.06 1.67 -0.46 2.13 0.40 -0.78 -5.11 117.98 112.77 3b88 s PHE 21 Ca 0.11 -0.77 -0.15 0.00 -0.60 0.00 0.00 56.93 55.52 3b88 s PHE 21 Cb 0.15 -0.92 0.06 0.00 0.51 0.00 0.00 43.02 42.82 3b88 s PHE 21 CO 0.52 0.14 0.37 0.21 0.70 0.00 0.00 175.22 177.17 3b88 s LYS 22 N -3.77 2.96 0.05 0.44 2.20 -1.26 -4.99 119.74 115.37 3b88 s LYS 22 Ca 0.26 -1.29 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 3b88 s LYS 22 Cb 0.04 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.25 3b88 s LYS 22 CO 0.08 -0.97 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.45 3b88 s LEU 23 N 1.64 2.20 -0.05 5.43 1.43 -1.26 -4.68 118.68 123.39 3b88 s LEU 23 Ca 0.04 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 3b88 s LEU 23 Cb -0.23 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 3b88 s LEU 23 CO 0.07 0.01 0.45 -0.54 0.23 0.00 0.00 176.35 176.57 3b88 s LYS 24 N -1.30 4.14 0.24 1.70 1.02 -1.26 -4.99 119.74 119.28 3b88 s LYS 24 Ca 0.01 0.45 -0.06 0.00 0.02 0.00 0.00 55.97 56.39 3b88 s LYS 24 Cb -0.08 -3.32 0.25 0.00 -0.52 0.00 0.00 37.83 34.16 3b88 s LYS 24 CO 0.02 0.45 1.89 1.15 -0.92 0.00 0.00 175.35 177.94 3b88 h THR 25 N 4.13 1.26 -0.47 2.17 2.02 -2.00 -1.90 112.91 118.12 3b88 h THR 25 Ca -0.47 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 3b88 h THR 25 Cb 1.20 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3b88 h THR 25 CO 0.68 0.27 0.22 1.05 0.37 0.00 0.00 175.52 178.11 3b88 h GLU 26 N 1.30 0.65 -0.17 6.66 9.09 -1.99 0.12 114.58 130.24 3b88 h GLU 26 Ca 0.34 -0.08 -0.02 0.00 0.05 0.00 0.00 59.36 59.65 3b88 h GLU 26 Cb -0.06 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 26.91 3b88 h GLU 26 CO -0.06 0.51 0.04 -0.44 0.05 0.00 0.00 179.01 179.11 3b88 h ASP 27 N 0.66 0.26 -0.69 3.06 5.19 -1.77 -2.29 116.42 120.83 3b88 h ASP 27 Ca 0.16 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 56.27 3b88 h ASP 27 Cb 0.08 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 3b88 h ASP 27 CO -0.02 0.43 0.17 -0.07 -3.12 0.00 0.00 179.24 176.63 3b88 h LEU 28 N 0.08 1.05 -0.71 1.55 3.38 -0.95 -1.51 115.31 118.19 3b88 h LEU 28 Ca 0.05 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3b88 h LEU 28 Cb 0.27 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3b88 h LEU 28 CO 0.00 1.01 0.36 0.44 0.09 0.00 0.00 178.44 180.34 3b88 h ASP 29 N 1.05 0.47 -0.25 -0.43 3.32 -0.73 -0.27 116.42 119.58 3b88 h ASP 29 Ca 0.22 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3b88 h ASP 29 Cb 0.37 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3b88 h ASP 29 CO 0.00 0.27 0.00 0.03 -1.72 0.00 0.00 179.24 177.83 3b88 h ARG 30 N 0.61 0.45 -0.54 3.56 3.08 -0.81 -2.94 114.38 117.78 3b88 h ARG 30 Ca 0.35 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3b88 h ARG 30 Cb 0.35 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3b88 h ARG 30 CO -0.26 0.61 0.13 -0.07 -1.07 0.00 0.00 179.97 179.31 3b88 h LEU 31 N 0.22 0.77 -1.62 3.04 3.38 -1.12 0.94 115.31 120.93 3b88 h LEU 31 Ca 0.07 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3b88 h LEU 31 Cb 0.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3b88 h LEU 31 CO 0.01 0.76 0.36 -0.09 0.09 0.00 0.00 178.44 179.57 3b88 h ARG 32 N 0.80 0.44 -0.57 1.13 9.65 -0.87 0.80 114.38 125.76 3b88 h ARG 32 Ca 0.18 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3b88 h ARG 32 Cb 0.30 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3b88 h ARG 32 CO -0.00 0.29 0.00 1.33 2.80 0.00 0.00 179.97 184.39 3b88 n VAL 33 N -4.47 0.75 -1.56 0.20 0.24 -1.10 -3.20 118.33 109.19 3b88 n VAL 33 Ca 0.08 -0.78 -0.05 0.00 -2.04 0.00 0.00 64.34 61.55 3b88 n VAL 33 Cb 0.27 0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.44 0.50 3.34 7.63 0.00 0.25 -4.60 105.19 113.75 3b88 n GLY 34 Ca 0.20 -0.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.87 6.52 -0.19 1.61 2.15 0.31 -4.86 116.67 119.33 3b88 s ASP 35 Ca 0.00 -2.22 0.15 0.00 0.43 0.00 0.00 52.55 50.91 3b88 s ASP 35 Cb 0.00 -2.24 0.76 0.00 -0.30 0.00 0.00 42.92 41.14 3b88 s ASP 35 CO 0.00 -0.77 1.66 0.49 -0.17 0.00 0.00 175.17 176.38 3b88 n PHE 36 N 4.88 1.83 -1.79 -5.34 3.01 -1.26 -3.81 117.46 114.98 3b88 n PHE 36 Ca 0.04 -0.66 -0.37 0.00 1.01 0.00 0.00 57.45 57.48 3b88 n PHE 36 Cb 0.45 -0.42 -0.02 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.76 7.85 -3.49 4.37 4.13 -1.26 -4.83 115.26 122.79 3b88 n ASN 37 Ca 0.26 -3.04 -0.15 0.00 1.68 0.00 0.00 54.58 53.32 3b88 n ASN 37 Cb 1.07 -1.37 -0.04 0.00 -1.54 0.00 0.00 39.78 37.89 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 -0.67 -0.58 0.12 3.10 -0.12 -1.26 -5.14 117.98 113.42 3b88 s PHE 38 Ca 0.58 0.74 -0.31 0.00 -0.05 0.00 0.00 56.93 57.89 3b88 s PHE 38 Cb 0.22 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.99 3b88 s PHE 38 CO -0.10 -0.71 1.35 -1.25 -0.05 0.00 0.00 175.22 174.46 3b88 s PRO 39 N -2.32 4.34 0.12 1.99 0.04 -1.26 -5.00 135.00 132.90 3b88 s PRO 39 Ca -0.06 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 3b88 s PRO 39 Cb -0.00 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 3b88 s PRO 39 CO -0.00 -0.39 0.55 -1.25 0.04 0.00 0.00 177.00 175.95 3b88 s PRO 40 N 0.96 4.05 0.96 0.56 0.04 -1.26 -5.09 135.00 135.22 3b88 s PRO 40 Ca 0.63 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 3b88 s PRO 40 Cb -0.36 -3.04 0.17 0.00 0.04 0.00 0.00 34.50 31.31 3b88 s PRO 40 CO 0.31 0.54 1.09 -1.54 0.04 0.00 0.00 177.00 177.43 3b88 s SER 41 N -1.49 2.82 0.23 6.66 1.04 -1.26 -4.88 113.70 116.82 3b88 s SER 41 Ca 0.34 1.54 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 3b88 s SER 41 Cb -0.17 -2.21 0.21 0.00 0.10 0.00 0.00 66.02 63.96 3b88 s SER 41 CO 0.19 -3.06 1.89 -0.61 0.98 0.00 0.00 173.24 172.63 3b88 h GLN 42 N -1.84 1.21 -0.29 4.02 4.15 -1.98 -2.32 115.11 118.06 3b88 h GLN 42 Ca -0.52 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 58.85 3b88 h GLN 42 Cb 1.30 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 3b88 h GLN 42 CO 0.52 0.83 0.01 -0.44 -1.93 0.00 0.00 178.83 177.83 3b88 h ASP 43 N 1.24 -0.08 -0.85 -0.69 5.19 -1.93 -0.09 116.42 119.22 3b88 h ASP 43 Ca 0.33 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.77 3b88 h ASP 43 Cb -0.08 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 3b88 h ASP 43 CO -0.06 -0.01 0.42 0.25 -3.12 0.00 0.00 179.24 176.72 3b88 h LEU 44 N 0.11 1.10 -0.33 1.55 5.85 -1.79 0.18 115.31 121.97 3b88 h LEU 44 Ca 0.14 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3b88 h LEU 44 Cb 0.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3b88 h LEU 44 CO -0.22 0.91 0.20 0.24 -0.34 0.00 0.00 178.44 179.23 3b88 h MET 45 N 1.20 0.45 0.00 1.25 2.86 -1.04 -2.17 114.93 117.48 3b88 h MET 45 Ca 0.29 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 3b88 h MET 45 Cb 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3b88 h MET 45 CO -0.04 0.35 -0.36 0.00 1.06 0.00 0.00 176.91 177.92 3b88 h TYR 47 N 0.00 0.02 -0.33 0.00 3.20 -0.36 -1.42 116.97 118.08 3b88 h TYR 47 Ca -0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3b88 h TYR 47 Cb 0.74 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3b88 h TYR 47 CO 0.00 -0.01 0.22 1.79 -1.64 0.00 0.00 178.16 178.52 3b88 h THR 48 N 0.07 1.04 -0.28 1.81 1.35 -0.77 -1.18 112.91 114.96 3b88 h THR 48 Ca 0.08 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.77 3b88 h THR 48 Cb 0.09 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 3b88 h THR 48 CO -0.12 0.07 0.02 0.50 -0.25 0.00 0.00 175.52 175.73 3b88 h LYS 49 N 0.37 0.48 -0.53 4.72 3.64 -1.11 -1.19 116.57 122.95 3b88 h LYS 49 Ca 0.13 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3b88 h LYS 49 Cb 0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3b88 h LYS 49 CO -0.03 0.62 0.35 0.00 -2.27 0.00 0.00 179.45 178.12 3b88 h VAL 51 N 0.71 0.81 -0.37 0.00 2.07 -1.23 -1.88 116.25 116.34 3b88 h VAL 51 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 3b88 h VAL 51 Cb -0.07 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3b88 h VAL 51 CO -0.05 0.00 -0.03 0.28 0.02 0.00 0.00 177.57 177.79 3b88 h SER 52 N -0.16 0.57 -0.64 0.57 0.02 -0.96 -2.29 113.55 110.65 3b88 h SER 52 Ca 0.02 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3b88 h SER 52 Cb 0.18 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3b88 h SER 52 CO -0.05 0.66 0.41 -0.07 -1.14 0.00 0.00 176.83 176.65 3b88 h LEU 53 N 0.56 0.70 -1.62 5.07 3.38 -0.51 -2.13 115.31 120.76 3b88 h LEU 53 Ca 0.11 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3b88 h LEU 53 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3b88 h LEU 53 CO 0.02 0.49 0.31 -0.03 0.09 0.00 0.00 178.44 179.32 3b88 h MET 54 N 0.83 0.48 0.00 1.13 4.05 -0.80 0.02 114.93 120.64 3b88 h MET 54 Ca 0.25 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3b88 h MET 54 Cb -0.04 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 3b88 h MET 54 CO -0.08 0.32 0.00 0.00 0.23 0.00 0.00 176.91 177.38 3b88 h ALA 55 N 1.73 1.00 -0.13 0.39 0.00 -1.18 -3.47 119.26 117.60 3b88 h ALA 55 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3b88 h ALA 55 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3b88 h ALA 55 CO -0.05 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.56 3b88 n GLY 56 N 0.89 0.60 0.16 0.00 0.00 -0.01 -4.94 105.19 101.90 3b88 n GLY 56 Ca 0.04 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.72 -2.23 4.61 0.00 -1.63 -3.43 119.26 117.31 3b88 h ALA 57 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 3b88 h ALA 57 Cb 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.88 3b88 h ALA 57 CO 0.08 0.00 -0.70 0.14 0.00 0.00 0.00 179.25 178.78 3b88 s VAL 58 N -3.29 1.01 0.49 0.00 -7.23 -1.25 -1.26 120.40 108.87 3b88 s VAL 58 Ca 0.03 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3b88 s VAL 58 Cb 0.08 -1.91 0.09 0.00 0.56 0.00 0.00 36.38 35.20 3b88 s VAL 58 CO 0.74 -0.69 0.67 -0.46 -0.31 0.00 0.00 175.10 175.05 3b88 n ASN 59 N -0.20 1.15 0.15 4.85 0.23 -1.00 -4.67 115.26 115.77 3b88 n ASN 59 Ca -0.09 -1.91 0.12 0.00 -0.53 0.00 0.00 54.58 52.17 3b88 n ASN 59 Cb 0.61 -0.41 0.53 0.00 -2.08 0.00 0.00 39.78 38.43 3b88 n ASN 59 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3b88 h LYS 60 N 0.00 0.00 -0.01 -3.83 1.57 -2.00 -1.47 116.57 110.83 3b88 h LYS 60 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3b88 h LYS 60 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3b88 h LYS 60 CO 0.26 0.00 -0.02 1.63 -0.57 0.00 0.00 179.45 180.75 3b88 n LYS 61 N -2.33 1.23 -0.93 3.15 5.02 -1.26 -4.87 118.16 118.18 3b88 n LYS 61 Ca 0.01 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 3b88 n LYS 61 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.13 0.52 3.68 0.72 0.00 -0.55 -4.06 105.19 106.62 3b88 n GLY 62 Ca 0.20 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.28 4.36 -0.14 1.61 2.02 -1.26 -4.24 118.70 120.76 3b88 s GLU 63 Ca 0.00 1.55 -0.29 0.00 0.02 0.00 0.00 54.97 56.25 3b88 s GLU 63 Cb 0.00 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 3b88 s GLU 63 CO 0.00 -0.43 1.07 0.12 0.02 0.00 0.00 175.26 176.03 3b88 s PHE 64 N 2.32 3.35 -0.65 1.61 5.36 -1.26 -2.38 117.98 126.32 3b88 s PHE 64 Ca 0.52 1.45 -0.10 0.00 -0.96 0.00 0.00 56.93 57.83 3b88 s PHE 64 Cb -0.21 -3.28 0.17 0.00 -0.34 0.00 0.00 43.02 39.36 3b88 s PHE 64 CO 0.19 -0.60 0.55 1.21 -1.46 0.00 0.00 175.22 175.11 3b88 s ASN 65 N 1.27 6.06 0.14 6.13 3.84 -0.39 -4.96 114.94 127.03 3b88 s ASN 65 Ca 0.49 -2.41 -0.13 0.00 0.21 0.00 0.00 52.86 51.01 3b88 s ASN 65 Cb -0.18 -2.08 -0.01 0.00 -0.55 0.00 0.00 41.25 38.43 3b88 s ASN 65 CO 0.14 -0.60 1.57 0.00 -2.79 0.00 0.00 177.10 175.43 3b88 h ALA 66 N 7.93 0.60 -0.72 1.71 0.00 -1.91 0.12 119.26 126.99 3b88 h ALA 66 Ca -0.06 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.66 3b88 h ALA 66 Cb 1.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3b88 h ALA 66 CO 0.81 0.42 0.35 -1.35 0.00 0.00 0.00 179.25 179.48 3b88 h PRO 67 N 0.64 0.57 -0.29 0.00 0.11 -1.98 -1.39 132.00 129.66 3b88 h PRO 67 Ca 0.12 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 3b88 h PRO 67 Cb 0.54 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3b88 h PRO 67 CO 0.03 0.38 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.68 3b88 h LYS 68 N 0.59 0.72 -0.34 1.05 3.64 -1.84 -2.27 116.57 118.13 3b88 h LYS 68 Ca 0.36 -0.39 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3b88 h LYS 68 Cb 0.39 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 3b88 h LYS 68 CO -0.28 1.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.88 3b88 h ALA 69 N 0.71 0.28 -0.86 5.00 0.00 -0.64 0.75 119.26 124.49 3b88 h ALA 69 Ca 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3b88 h ALA 69 Cb 0.88 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3b88 h ALA 69 CO 0.07 -0.42 0.44 -0.07 0.00 0.00 0.00 179.25 179.28 3b88 h LEU 70 N 0.06 1.10 -1.28 0.00 3.38 -1.25 0.12 115.31 117.44 3b88 h LEU 70 Ca 0.16 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3b88 h LEU 70 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3b88 h LEU 70 CO -0.30 0.90 -0.35 0.00 0.09 0.00 0.00 178.44 178.78 3b88 h ALA 71 N 1.27 1.41 0.00 1.53 0.00 -0.89 -3.03 119.26 119.55 3b88 h ALA 71 Ca 0.30 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3b88 h ALA 71 Cb 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3b88 h ALA 71 CO -0.04 0.45 -1.10 1.96 0.00 0.00 0.00 179.25 180.52 3b88 h GLN 72 N 0.01 0.00 -0.80 0.00 1.08 -0.36 -3.40 115.11 111.64 3b88 h GLN 72 Ca -0.00 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 3b88 h GLN 72 Cb 0.63 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.93 3b88 h GLN 72 CO 0.05 0.58 0.14 -0.07 -0.95 0.00 0.00 178.83 178.57 3b88 h LEU 73 N 0.00 -0.12 -1.88 1.46 3.38 -0.86 0.33 115.31 117.63 3b88 h LEU 73 Ca -0.10 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.17 3b88 h LEU 73 Cb 1.65 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 3b88 h LEU 73 CO 0.08 -0.13 0.50 -0.65 0.09 0.00 0.00 178.44 178.33 3b88 h PRO 74 N 0.19 0.00 -0.01 1.13 0.11 -1.78 0.17 132.00 131.80 3b88 h PRO 74 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3b88 h PRO 74 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3b88 h PRO 74 CO -0.62 0.00 -0.51 0.72 -0.21 0.00 0.00 178.00 177.38 3b88 n HIS 75 N -3.55 0.00 -0.09 0.65 8.25 0.11 -4.22 115.22 116.38 3b88 n HIS 75 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 3b88 n HIS 75 Cb 0.67 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.13 2.02 -4.19 2.41 4.77 0.47 -4.92 117.00 117.43 3b88 n LEU 76 Ca 0.09 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 3b88 n LEU 76 Cb 0.46 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3b88 n LEU 76 CO 0.29 0.68 -0.43 0.68 -1.33 0.00 0.00 177.39 177.28 3b88 s VAL 77 N -2.38 1.09 0.64 4.08 -7.23 -0.54 -5.02 120.40 111.04 3b88 s VAL 77 Ca -0.20 -1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 58.25 3b88 s VAL 77 Cb 0.06 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 3b88 s VAL 77 CO 0.50 -0.44 1.08 -2.16 -0.31 0.00 0.00 175.10 173.78 3b88 s PRO 78 N -2.49 3.00 0.36 4.82 0.04 -1.26 -4.42 135.00 135.05 3b88 s PRO 78 Ca 0.04 1.28 0.15 0.00 0.04 0.00 0.00 61.00 62.51 3b88 s PRO 78 Cb -0.05 -1.98 1.01 0.00 0.04 0.00 0.00 34.50 33.51 3b88 s PRO 78 CO 0.01 -1.08 1.75 -1.35 0.04 0.00 0.00 177.00 176.38 3b88 h PRO 79 N 0.10 0.47 -0.46 0.56 0.11 -1.95 0.75 132.00 131.57 3b88 h PRO 79 Ca -0.46 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.75 3b88 h PRO 79 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3b88 h PRO 79 CO 0.55 0.31 0.38 0.93 -0.21 0.00 0.00 178.00 179.96 3b88 h GLU 80 N 0.48 0.00 -0.02 1.05 3.07 -1.93 -2.43 114.58 114.80 3b88 h GLU 80 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3b88 h GLU 80 Cb 1.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3b88 h GLU 80 CO -0.37 0.00 -0.13 -1.33 -1.40 0.00 0.00 179.01 175.78 3b88 n MET 81 N -4.16 1.43 0.07 2.33 2.81 0.24 -4.69 117.12 115.15 3b88 n MET 81 Ca 0.08 -1.17 -0.11 0.00 -1.81 0.00 0.00 57.70 54.69 3b88 n MET 81 Cb 0.58 -1.28 -0.05 0.00 -0.71 0.00 0.00 33.22 31.76 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 2.53 -0.28 -0.26 0.03 2.86 -1.20 -1.73 114.93 116.87 3b88 h MET 82 Ca 0.00 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3b88 h MET 82 Cb 0.60 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3b88 h MET 82 CO 0.00 -0.19 0.12 1.49 1.06 0.00 0.00 176.91 179.39 3b88 h GLU 83 N -0.29 0.37 -0.56 1.72 4.57 -1.84 -0.40 114.58 118.15 3b88 h GLU 83 Ca 0.05 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3b88 h GLU 83 Cb 0.35 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 3b88 h GLU 83 CO -0.15 0.36 0.19 1.98 -1.18 0.00 0.00 179.01 180.22 3b88 h MET 84 N 0.28 0.36 -0.13 1.92 4.05 -1.85 -0.89 114.93 118.66 3b88 h MET 84 Ca 0.09 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3b88 h MET 84 Cb 0.12 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3b88 h MET 84 CO -0.01 0.24 0.01 0.77 0.23 0.00 0.00 176.91 178.15 3b88 h SER 85 N 0.37 0.22 -1.01 1.39 0.02 -0.94 -0.85 113.55 112.75 3b88 h SER 85 Ca 0.28 -0.28 0.09 0.00 -0.84 0.00 0.00 61.79 61.03 3b88 h SER 85 Cb 0.33 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 3b88 h SER 85 CO -0.29 0.45 0.65 0.03 -1.14 0.00 0.00 176.83 176.52 3b88 h ARG 86 N -0.02 1.08 -0.61 3.45 3.08 -0.86 0.27 114.38 120.78 3b88 h ARG 86 Ca 0.04 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3b88 h ARG 86 Cb 0.33 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3b88 h ARG 86 CO 0.00 0.72 0.11 -0.22 -1.07 0.00 0.00 179.97 179.51 3b88 h LYS 87 N 1.11 1.00 -0.29 0.04 3.64 -0.89 -1.59 116.57 119.60 3b88 h LYS 87 Ca 0.46 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.43 3b88 h LYS 87 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3b88 h LYS 87 CO -0.21 0.93 -0.41 0.77 -2.27 0.00 0.00 179.45 178.26 3b88 h SER 88 N 0.91 0.76 -0.08 4.20 0.02 -0.43 -1.43 113.55 117.50 3b88 h SER 88 Ca 0.19 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3b88 h SER 88 Cb 0.40 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3b88 h SER 88 CO 0.01 1.08 0.05 0.58 -1.14 0.00 0.00 176.83 177.41 3b88 h VAL 89 N 0.58 1.03 0.19 2.27 2.07 -0.34 -1.90 116.25 120.17 3b88 h VAL 89 Ca 0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3b88 h VAL 89 Cb 0.96 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3b88 h VAL 89 CO 0.09 0.03 -0.09 -0.33 0.02 0.00 0.00 177.57 177.29 3b88 h GLU 90 N 0.09 -0.25 0.00 1.57 4.39 -1.28 -1.28 114.58 117.83 3b88 h GLU 90 Ca 0.03 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3b88 h GLU 90 Cb 0.01 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3b88 h GLU 90 CO -0.01 -0.17 -0.08 0.00 -1.16 0.00 0.00 179.01 177.60 3b88 h ALA 91 N 0.55 1.39 -0.11 3.43 0.00 -1.20 -3.11 119.26 120.21 3b88 h ALA 91 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b88 h ALA 91 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3b88 h ALA 91 CO 0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3b88 h ARG 93 N 0.75 0.19 -0.37 0.00 0.11 -1.16 -2.31 114.38 111.60 3b88 h ARG 93 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3b88 h ARG 93 Cb 0.52 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3b88 h ARG 93 CO 0.00 0.13 0.00 -0.25 0.10 0.00 0.00 179.97 179.95 3b88 n ASP 94 N -4.44 3.29 -0.25 0.08 8.00 -1.26 -4.58 116.55 117.39 3b88 n ASP 94 Ca 0.09 -2.23 -0.01 0.00 0.71 0.00 0.00 54.79 53.36 3b88 n ASP 94 Cb 0.46 -0.33 0.11 0.00 -0.02 0.00 0.00 41.12 41.34 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 2.24 0.97 0.00 -3.53 2.02 -1.74 -3.00 112.91 109.87 3b88 h THR 95 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3b88 h THR 95 Cb 0.93 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3b88 h THR 95 CO 0.06 0.13 -0.06 1.12 0.37 0.00 0.00 175.52 177.15 3b88 h HIS 96 N 0.73 0.00 0.00 3.16 2.07 -1.80 -2.55 115.15 116.76 3b88 h HIS 96 Ca 0.32 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 3b88 h HIS 96 Cb 0.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.18 3b88 h HIS 96 CO -0.07 0.06 -0.06 0.87 -3.07 0.00 0.00 177.93 175.65 3b88 h LYS 97 N 0.00 0.00 -0.00 5.12 1.57 -1.86 -1.60 116.57 119.79 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3b88 h LYS 97 CO 0.01 0.06 -0.03 1.04 -0.57 0.00 0.00 179.45 179.96 3b88 n GLN 98 N -3.47 0.80 -4.26 3.15 1.13 -0.96 -4.87 117.38 108.90 3b88 n GLN 98 Ca -0.02 -0.14 -0.17 0.00 -1.94 0.00 0.00 57.00 54.73 3b88 n GLN 98 Cb 0.20 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 28.94 3b88 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3b88 s PHE 99 N -2.30 1.41 -0.18 1.08 0.40 -0.60 -5.07 117.98 112.71 3b88 s PHE 99 Ca 0.36 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 3b88 s PHE 99 Cb 0.21 -0.71 -0.12 0.00 0.51 0.00 0.00 43.02 42.91 3b88 s PHE 99 CO 0.42 0.16 -0.16 1.63 0.70 0.00 0.00 175.22 177.98 3b88 n LYS 100 N 0.17 0.45 -3.22 0.44 5.02 -1.26 -4.86 118.16 114.90 3b88 n LYS 100 Ca -0.13 0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 3b88 n LYS 100 Cb 0.59 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.36 4.27 0.20 1.97 -6.30 -1.26 -4.95 118.70 110.27 3b88 s GLU 101 Ca -0.24 0.79 -0.11 0.00 -2.50 0.00 0.00 54.97 52.91 3b88 s GLU 101 Cb 0.06 -3.26 0.13 0.00 0.00 0.00 0.00 34.13 31.06 3b88 s GLU 101 CO 0.41 0.58 1.87 0.66 0.02 0.00 0.00 175.26 178.80 3b88 h SER 102 N 4.73 0.79 -0.40 -1.70 4.64 -1.90 0.67 113.55 120.38 3b88 h SER 102 Ca -0.48 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 60.74 3b88 h SER 102 Cb 1.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3b88 h SER 102 CO 0.65 0.57 -0.01 0.00 -0.87 0.00 0.00 176.83 177.17 3b88 h GLU 104 N 0.54 0.43 -0.38 0.00 4.57 -1.77 -0.78 114.58 117.18 3b88 h GLU 104 Ca 0.11 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 3b88 h GLU 104 Cb 0.50 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 3b88 h GLU 104 CO 0.02 0.28 -0.07 0.00 -1.18 0.00 0.00 179.01 178.06 3b88 h ARG 105 N 0.44 0.02 -0.03 1.92 3.08 -0.77 -1.46 114.38 117.58 3b88 h ARG 105 Ca 0.14 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3b88 h ARG 105 Cb -0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3b88 h ARG 105 CO -0.05 0.02 -0.03 0.28 -1.07 0.00 0.00 179.97 179.12 3b88 h VAL 106 N 0.02 1.39 -0.50 2.04 2.07 -1.27 -2.30 116.25 117.69 3b88 h VAL 106 Ca 0.19 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.59 3b88 h VAL 106 Cb 0.28 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3b88 h VAL 106 CO -0.38 0.32 0.13 0.22 0.02 0.00 0.00 177.57 177.88 3b88 h TYR 107 N -0.42 0.21 -0.12 1.57 3.20 -1.07 0.38 116.97 120.72 3b88 h TYR 107 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3b88 h TYR 107 Cb 0.53 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3b88 h TYR 107 CO 0.10 0.03 -0.27 1.96 -1.64 0.00 0.00 178.16 178.34 3b88 h GLN 108 N 0.27 0.22 -0.31 1.82 1.08 -1.28 -0.08 115.11 116.82 3b88 h GLN 108 Ca 0.25 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3b88 h GLN 108 Cb 0.32 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3b88 h GLN 108 CO -0.30 0.48 -0.02 1.15 -0.95 0.00 0.00 178.83 179.19 3b88 h THR 109 N 0.20 1.26 -0.62 -0.54 2.02 -0.78 -1.19 112.91 113.26 3b88 h THR 109 Ca 0.03 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 3b88 h THR 109 Cb 0.59 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3b88 h THR 109 CO 0.04 0.32 0.05 0.00 0.37 0.00 0.00 175.52 176.31 3b88 h ALA 110 N 0.83 0.92 -0.07 6.16 0.00 -0.52 0.86 119.26 127.44 3b88 h ALA 110 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3b88 h ALA 110 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3b88 h ALA 110 CO 0.02 0.66 -0.00 -0.22 0.00 0.00 0.00 179.25 179.70 3b88 h LYS 111 N 0.98 0.02 -0.54 0.00 3.64 -1.01 -0.97 116.57 118.68 3b88 h LYS 111 Ca 0.18 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3b88 h LYS 111 Cb 0.49 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 3b88 h LYS 111 CO 0.02 0.01 0.19 0.00 -2.27 0.00 0.00 179.45 177.40 3b88 h PHE 113 N 0.37 -0.07 -0.29 0.00 0.04 -0.41 -0.41 116.94 116.17 3b88 h PHE 113 Ca 0.27 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 3b88 h PHE 113 Cb 0.31 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3b88 h PHE 113 CO -0.17 -0.14 -0.15 0.66 -0.60 0.00 0.00 178.31 177.92 3b88 h SER 114 N 0.10 0.49 1.27 2.17 4.64 0.14 -1.31 113.55 121.06 3b88 h SER 114 Ca 0.26 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 3b88 h SER 114 Cb 0.41 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3b88 h SER 114 CO -0.45 0.67 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.13 3b88 h GLU 115 N 0.46 0.00 -0.45 4.77 5.08 -0.59 -3.26 114.58 120.60 3b88 h GLU 115 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3b88 h GLU 115 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3b88 h GLU 115 CO 0.03 0.71 0.00 0.09 -1.00 0.00 0.00 179.01 178.84 3b88 n ASN 116 N -3.29 3.54 -4.67 1.42 3.02 -0.20 -4.93 115.26 110.15 3b88 n ASN 116 Ca 0.01 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 3b88 n ASN 116 Cb 0.82 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 3b88 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b88 s ALA 117 N -1.42 3.60 -2.04 5.41 0.00 -0.51 -4.60 121.76 122.20 3b88 s ALA 117 Ca 0.41 0.61 0.10 0.00 0.00 0.00 0.00 51.96 53.08 3b88 s ALA 117 Cb 0.23 -3.60 0.40 0.00 0.00 0.00 0.00 23.12 20.15 3b88 s ALA 117 CO 0.32 -1.05 1.29 -0.40 0.00 0.00 0.00 175.76 175.92 3b88 n ASP 118 N 6.11 0.93 -0.28 0.00 3.85 -1.26 -4.88 116.55 121.02 3b88 n ASP 118 Ca 0.13 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.35 3b88 n ASP 118 Cb 0.45 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 3b88 n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b88 n GLY 119 N 0.84 4.02 3.73 6.12 0.00 -1.26 -5.12 105.19 113.52 3b88 n GLY 119 Ca 0.09 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 0.15 4.24 -0.06 1.61 -0.21 -1.26 -5.01 119.66 119.12 3b88 s GLN 120 Ca 0.00 2.32 0.03 0.00 0.02 0.00 0.00 55.36 57.73 3b88 s GLN 120 Cb 0.00 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 3b88 s GLN 120 CO 0.00 -0.53 -0.14 0.12 -2.12 0.00 0.00 175.29 172.62 3b88 s PHE 121 N 0.72 2.73 -0.07 0.91 2.19 -1.26 -5.11 117.98 118.09 3b88 s PHE 121 Ca 0.66 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.68 3b88 s PHE 121 Cb -0.43 -1.67 0.02 0.00 -1.31 0.00 0.00 43.02 39.64 3b88 s PHE 121 CO 0.36 0.12 -0.06 -1.64 1.83 0.00 0.00 175.22 175.83 3b88 s MET 122 N -0.53 1.13 -0.12 10.12 -1.94 -1.26 -2.35 119.30 124.34 3b88 s MET 122 Ca 0.07 -0.15 -0.05 0.00 -1.71 0.00 0.00 55.69 53.85 3b88 s MET 122 Cb -0.12 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 3b88 s MET 122 CO 0.01 -0.17 0.08 -0.46 -0.01 0.00 0.00 175.02 174.47 3b88 s TRP 123 N 1.37 3.39 -1.44 -0.03 -0.11 -1.07 -4.95 118.94 116.10 3b88 s TRP 123 Ca -0.03 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.64 3b88 s TRP 123 Cb -0.14 -1.91 0.00 0.00 -1.50 0.00 0.00 33.47 29.93 3b88 s TRP 123 CO -0.03 0.56 0.36 -2.30 -4.62 0.00 0.00 176.95 170.92