#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t14 s THR 2 N 0.00 2.45 0.26 3.17 -4.23 -1.26 -4.22 115.64 111.81 1t14 s THR 2 Ca 0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1t14 s THR 2 Cb 0.00 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 70.96 1t14 s THR 2 CO 0.00 -0.15 1.91 -0.03 -0.54 0.00 0.00 174.62 175.82 1t14 h MET 3 N -0.83 1.24 -0.42 3.99 -1.53 -1.99 -0.44 114.93 114.96 1t14 h MET 3 Ca -0.45 -0.10 -0.05 0.00 -3.44 0.00 0.00 59.70 55.66 1t14 h MET 3 Cb 1.31 -0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 32.08 1t14 h MET 3 CO 0.64 0.85 0.07 1.49 0.14 0.00 0.00 176.91 180.10 1t14 h GLU 4 N 1.26 0.69 -0.63 0.39 4.81 -2.00 -0.66 114.58 118.44 1t14 h GLU 4 Ca 0.33 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1t14 h GLU 4 Cb -0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1t14 h GLU 4 CO -0.07 0.73 0.32 1.96 -0.73 0.00 0.00 179.01 181.22 1t14 h GLN 5 N 0.54 0.89 -0.10 1.92 4.20 -1.87 -2.63 115.11 118.06 1t14 h GLN 5 Ca 0.13 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1t14 h GLN 5 Cb 0.37 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1t14 h GLN 5 CO 0.01 0.70 -0.02 0.35 -0.67 0.00 0.00 178.83 179.19 1t14 h PHE 6 N 0.86 -0.05 -0.75 2.96 3.57 -0.70 0.10 116.94 122.93 1t14 h PHE 6 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1t14 h PHE 6 Cb 0.08 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1t14 h PHE 6 CO -0.00 -0.04 0.48 -0.07 -2.23 0.00 0.00 178.31 176.44 1t14 h LEU 7 N 0.00 0.79 -0.76 0.59 3.38 -1.03 -1.86 115.31 116.43 1t14 h LEU 7 Ca 0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1t14 h LEU 7 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1t14 h LEU 7 CO -0.10 0.55 -0.40 0.74 0.09 0.00 0.00 178.44 179.31 1t14 h THR 8 N 0.94 1.30 0.00 0.22 2.02 -1.37 -3.03 112.91 113.00 1t14 h THR 8 Ca 0.30 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1t14 h THR 8 Cb -0.00 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1t14 h THR 8 CO -0.10 0.48 -0.01 0.77 0.37 0.00 0.00 175.52 177.03 1t14 h SER 9 N 0.39 0.00 -0.71 4.18 4.64 0.03 -2.14 113.55 119.94 1t14 h SER 9 Ca 0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1t14 h SER 9 Cb 0.87 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 1t14 h SER 9 CO 0.07 0.01 0.46 -0.07 -0.87 0.00 0.00 176.83 176.44 1t14 h LEU 10 N 0.00 0.79 -0.63 5.97 3.38 -1.33 0.20 115.31 123.69 1t14 h LEU 10 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1t14 h LEU 10 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1t14 h LEU 10 CO 0.00 0.57 -0.52 0.44 0.09 0.00 0.00 178.44 179.02 1t14 h ASP 11 N 0.94 0.48 -0.17 -0.43 3.32 -1.53 -1.64 116.42 117.38 1t14 h ASP 11 Ca 0.27 -0.25 -0.21 0.00 0.02 0.00 0.00 57.03 56.86 1t14 h ASP 11 Cb -0.08 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.34 1t14 h ASP 11 CO -0.07 0.92 -0.72 0.24 -1.72 0.00 0.00 179.24 177.89 1t14 h MET 12 N 0.34 0.79 -0.00 3.56 2.86 -1.14 -1.51 114.93 119.83 1t14 h MET 12 Ca 0.01 -0.62 0.01 0.00 -2.06 0.00 0.00 59.70 57.04 1t14 h MET 12 Cb 1.03 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1t14 h MET 12 CO 0.09 1.23 -0.05 0.82 1.06 0.00 0.00 176.91 180.06 1t14 h ILE 13 N 0.52 0.86 -0.73 -1.22 2.04 -0.60 -2.85 117.51 115.54 1t14 h ILE 13 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 1t14 h ILE 13 Cb 1.35 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 1t14 h ILE 13 CO 0.15 0.00 0.26 -0.09 0.00 0.00 0.00 178.15 178.47 1t14 h ARG 14 N -0.09 0.38 -0.08 2.37 2.43 -1.27 -2.20 114.38 115.91 1t14 h ARG 14 Ca 0.02 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1t14 h ARG 14 Cb 0.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1t14 h ARG 14 CO -0.06 0.25 0.10 0.66 -1.51 0.00 0.00 179.97 179.41 1t14 h SER 15 N 0.39 0.00 0.92 -3.80 4.64 -1.03 0.16 113.55 114.83 1t14 h SER 15 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1t14 h SER 15 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1t14 h SER 15 CO -0.42 0.00 -0.23 0.61 -0.87 0.00 0.00 176.83 175.92 1t14 n GLY 16 N -1.35 -1.45 0.30 -0.77 0.00 -0.83 -4.49 105.19 96.60 1t14 n GLY 16 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1t14 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t14 h ALA 18 N 0.00 1.13 0.00 0.00 0.00 -0.99 -1.78 119.26 117.62 1t14 h ALA 18 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1t14 h ALA 18 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1t14 h ALA 18 CO 0.00 -0.05 0.00 -1.35 0.00 0.00 0.00 179.25 177.85 1t14 h PRO 19 N 0.63 0.00 0.00 0.00 0.11 -1.81 -1.74 132.00 129.18 1t14 h PRO 19 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1t14 h PRO 19 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1t14 h PRO 19 CO -0.31 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.11 1t14 n LYS 20 N -2.34 0.02 -4.29 1.05 5.02 -0.67 -4.91 118.16 112.04 1t14 n LYS 20 Ca -0.01 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 1t14 n LYS 20 Cb 0.07 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 1t14 n LYS 20 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1t14 s PHE 21 N -3.01 1.45 -0.37 2.13 0.40 -0.66 -5.11 117.98 112.82 1t14 s PHE 21 Ca 0.11 -1.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.09 1t14 s PHE 21 Cb 0.15 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.90 1t14 s PHE 21 CO 0.45 -0.43 0.19 0.15 0.70 0.00 0.00 175.22 176.28 1t14 s LYS 22 N -4.04 2.80 0.07 0.44 1.02 -1.26 -4.99 119.74 113.77 1t14 s LYS 22 Ca 0.38 -1.09 0.06 0.00 0.02 0.00 0.00 55.97 55.33 1t14 s LYS 22 Cb 0.07 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1t14 s LYS 22 CO 0.14 -0.69 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.21 1t14 s LEU 23 N 1.53 2.27 -0.14 3.17 1.43 -1.26 -4.71 118.68 120.97 1t14 s LEU 23 Ca 0.01 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1t14 s LEU 23 Cb -0.19 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1t14 s LEU 23 CO 0.06 -0.03 0.44 -0.54 0.23 0.00 0.00 176.35 176.51 1t14 s LYS 24 N -1.71 4.30 0.28 1.70 1.02 -1.26 -4.99 119.74 119.08 1t14 s LYS 24 Ca 0.00 0.37 0.01 0.00 0.02 0.00 0.00 55.97 56.37 1t14 s LYS 24 Cb -0.10 -3.45 0.60 0.00 -0.52 0.00 0.00 37.83 34.36 1t14 s LYS 24 CO 0.03 0.13 1.78 1.15 -0.92 0.00 0.00 175.35 177.52 1t14 h THR 25 N 4.77 0.75 -0.66 2.17 2.02 -2.00 -0.27 112.91 119.69 1t14 h THR 25 Ca -0.40 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.56 1t14 h THR 25 Cb 1.17 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1t14 h THR 25 CO 0.75 0.13 0.44 -0.33 0.37 0.00 0.00 175.52 176.88 1t14 h GLU 26 N 0.73 0.76 -0.32 6.66 3.07 -1.99 0.80 114.58 124.28 1t14 h GLU 26 Ca 0.50 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.19 1t14 h GLU 26 Cb 0.70 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1t14 h GLU 26 CO -0.35 0.51 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.02 1t14 h ASP 27 N 0.79 0.83 -0.66 1.42 3.32 -1.48 -2.21 116.42 118.42 1t14 h ASP 27 Ca 0.26 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1t14 h ASP 27 Cb 0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1t14 h ASP 27 CO -0.07 1.12 0.13 -0.07 -1.72 0.00 0.00 179.24 178.62 1t14 h LEU 28 N 0.55 1.04 -0.47 1.55 3.38 -0.94 -1.59 115.31 118.83 1t14 h LEU 28 Ca 0.05 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1t14 h LEU 28 Cb 0.88 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1t14 h LEU 28 CO 0.08 1.02 0.12 0.44 0.09 0.00 0.00 178.44 180.19 1t14 h ASP 29 N 1.01 0.07 -0.50 -0.43 3.32 -0.83 -0.03 116.42 119.03 1t14 h ASP 29 Ca 0.20 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1t14 h ASP 29 Cb 0.41 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1t14 h ASP 29 CO 0.01 0.07 0.31 0.03 -1.72 0.00 0.00 179.24 177.94 1t14 h ARG 30 N 0.27 0.67 -0.66 3.56 3.08 -1.11 -2.62 114.38 117.58 1t14 h ARG 30 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1t14 h ARG 30 Cb 0.27 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1t14 h ARG 30 CO -0.27 0.48 0.39 -0.07 -1.07 0.00 0.00 179.97 179.43 1t14 h LEU 31 N 0.67 0.79 -1.53 3.04 3.38 -1.07 0.20 115.31 120.78 1t14 h LEU 31 Ca 0.18 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1t14 h LEU 31 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1t14 h LEU 31 CO -0.04 0.61 0.36 -0.09 0.09 0.00 0.00 178.44 179.37 1t14 h ARG 32 N 0.91 0.60 -0.67 1.13 9.65 -0.63 0.54 114.38 125.92 1t14 h ARG 32 Ca 0.24 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1t14 h ARG 32 Cb -0.03 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1t14 h ARG 32 CO -0.04 0.39 0.00 1.33 2.80 0.00 0.00 179.97 184.45 1t14 n VAL 33 N -4.47 1.28 -1.06 0.20 0.24 -1.05 -3.33 118.33 110.13 1t14 n VAL 33 Ca 0.06 -0.99 -0.01 0.00 -2.04 0.00 0.00 64.34 61.36 1t14 n VAL 33 Cb 0.14 0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.79 1t14 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t14 n GLY 34 N 1.35 0.47 3.36 7.63 0.00 0.17 -4.56 105.19 113.60 1t14 n GLY 34 Ca 0.23 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 1t14 n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t14 s ASP 35 N -2.99 6.20 -0.16 1.61 -1.08 0.65 -4.85 116.67 116.06 1t14 s ASP 35 Ca 0.00 -1.56 0.16 0.00 -0.52 0.00 0.00 52.55 50.63 1t14 s ASP 35 Cb 0.00 -2.28 0.66 0.00 -1.46 0.00 0.00 42.92 39.84 1t14 s ASP 35 CO 0.00 -1.04 1.57 0.49 0.52 0.00 0.00 175.17 176.71 1t14 n PHE 36 N 6.01 1.41 -1.63 -5.34 3.01 -1.26 -3.81 117.46 115.85 1t14 n PHE 36 Ca -0.10 -0.72 -0.36 0.00 1.01 0.00 0.00 57.45 57.29 1t14 n PHE 36 Cb 0.42 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 1t14 n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1t14 n ASN 37 N 0.43 7.91 -3.53 4.37 4.13 -1.26 -4.80 115.26 122.51 1t14 n ASN 37 Ca 0.24 -2.90 -0.15 0.00 1.68 0.00 0.00 54.58 53.45 1t14 n ASN 37 Cb 0.94 -1.42 -0.05 0.00 -1.54 0.00 0.00 39.78 37.71 1t14 n ASN 37 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1t14 s PHE 38 N 0.08 -0.54 -0.03 3.10 -0.12 -1.26 -5.13 117.98 114.08 1t14 s PHE 38 Ca 0.61 0.85 -0.30 0.00 -0.05 0.00 0.00 56.93 58.04 1t14 s PHE 38 Cb 0.22 0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 42.99 1t14 s PHE 38 CO -0.09 -0.55 1.57 -2.14 -0.05 0.00 0.00 175.22 173.96 1t14 s PRO 39 N -1.53 4.21 0.30 1.99 0.02 -1.26 -4.99 135.00 133.75 1t14 s PRO 39 Ca -0.06 2.13 -0.19 0.00 0.02 0.00 0.00 61.00 62.89 1t14 s PRO 39 Cb -0.00 -3.80 -0.09 0.00 0.02 0.00 0.00 34.50 30.62 1t14 s PRO 39 CO 0.04 -0.75 0.80 -1.25 -0.33 0.00 0.00 177.00 175.51 1t14 s PRO 40 N 3.36 4.22 0.79 5.54 0.04 -1.26 -5.08 135.00 142.61 1t14 s PRO 40 Ca 0.70 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1t14 s PRO 40 Cb -0.33 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.65 1t14 s PRO 40 CO 0.28 0.24 1.11 -1.54 0.04 0.00 0.00 177.00 177.13 1t14 s SER 41 N -1.92 4.63 0.24 6.66 1.04 -1.26 -4.90 113.70 118.19 1t14 s SER 41 Ca 0.51 1.14 -0.06 0.00 0.48 0.00 0.00 55.95 58.02 1t14 s SER 41 Cb -0.14 -1.85 0.26 0.00 0.10 0.00 0.00 66.02 64.40 1t14 s SER 41 CO 0.19 -1.87 1.91 -0.61 0.98 0.00 0.00 173.24 173.85 1t14 h GLN 42 N -1.02 1.23 -0.58 4.02 4.15 -1.98 -1.42 115.11 119.51 1t14 h GLN 42 Ca -0.47 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 58.91 1t14 h GLN 42 Cb 1.28 -0.28 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 1t14 h GLN 42 CO 0.62 0.82 0.34 -0.44 -1.93 0.00 0.00 178.83 178.23 1t14 h ASP 43 N 1.27 0.53 -0.39 -0.69 5.19 -1.93 0.64 116.42 121.05 1t14 h ASP 43 Ca 0.36 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.69 1t14 h ASP 43 Cb -0.10 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1t14 h ASP 43 CO -0.09 0.37 -0.10 0.25 -3.12 0.00 0.00 179.24 176.54 1t14 h LEU 44 N 0.66 0.82 -0.45 1.55 5.85 -1.72 0.64 115.31 122.67 1t14 h LEU 44 Ca 0.24 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1t14 h LEU 44 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1t14 h LEU 44 CO -0.13 0.95 -0.01 0.24 -0.34 0.00 0.00 178.44 179.15 1t14 h MET 45 N 0.75 0.81 0.00 1.25 2.86 -0.73 -2.39 114.93 117.47 1t14 h MET 45 Ca 0.13 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 1t14 h MET 45 Cb 0.60 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1t14 h MET 45 CO 0.04 0.87 -0.31 0.00 1.06 0.00 0.00 176.91 178.57 1t14 h TYR 47 N 0.00 0.78 -0.27 0.00 3.20 -0.60 -0.98 116.97 119.09 1t14 h TYR 47 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1t14 h TYR 47 Cb 0.67 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1t14 h TYR 47 CO 0.00 0.60 -0.00 1.79 -1.64 0.00 0.00 178.16 178.91 1t14 h THR 48 N 0.73 1.17 -0.20 1.81 1.35 -0.86 -0.94 112.91 115.97 1t14 h THR 48 Ca 0.19 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1t14 h THR 48 Cb 0.11 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1t14 h THR 48 CO -0.02 0.23 -0.01 0.50 -0.25 0.00 0.00 175.52 175.96 1t14 h LYS 49 N 0.40 0.36 -0.82 4.72 3.64 -1.09 -1.57 116.57 122.22 1t14 h LYS 49 Ca 0.09 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1t14 h LYS 49 Cb 0.27 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1t14 h LYS 49 CO 0.01 0.57 0.48 0.00 -2.27 0.00 0.00 179.45 178.24 1t14 h VAL 51 N 0.84 1.25 0.00 0.00 2.07 -1.06 -1.78 116.25 117.58 1t14 h VAL 51 Ca 0.38 -1.03 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 1t14 h VAL 51 Cb 0.29 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1t14 h VAL 51 CO -0.22 0.38 -0.82 0.28 0.02 0.00 0.00 177.57 177.21 1t14 h SER 52 N 0.90 0.00 0.04 0.57 0.02 -0.61 -2.39 113.55 112.07 1t14 h SER 52 Ca 0.17 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1t14 h SER 52 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1t14 h SER 52 CO 0.02 0.82 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.15 1t14 h LEU 53 N 0.00 0.41 -0.84 5.07 3.38 -0.31 -0.34 115.31 122.67 1t14 h LEU 53 Ca -0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1t14 h LEU 53 Cb 1.46 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1t14 h LEU 53 CO 0.11 0.70 0.16 -0.03 0.09 0.00 0.00 178.44 179.46 1t14 h MET 54 N 0.35 1.03 0.00 1.13 4.05 -0.95 -2.84 114.93 117.70 1t14 h MET 54 Ca 0.05 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1t14 h MET 54 Cb 0.71 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1t14 h MET 54 CO 0.05 0.91 -0.09 0.00 0.23 0.00 0.00 176.91 178.02 1t14 h ALA 55 N 1.19 0.96 0.00 0.39 0.00 -1.05 -3.47 119.26 117.28 1t14 h ALA 55 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t14 h ALA 55 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1t14 h ALA 55 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1t14 n GLY 56 N 0.70 0.44 0.00 0.00 0.00 -0.19 -4.94 105.19 101.21 1t14 n GLY 56 Ca 0.02 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1t14 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t14 n THR 57 N -2.94 0.02 -4.14 2.61 -2.24 -0.86 -4.77 114.28 101.95 1t14 n THR 57 Ca 0.00 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1t14 n THR 57 Cb 0.00 0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 1t14 n THR 57 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1t14 s VAL 58 N -3.01 0.42 0.37 2.28 -7.23 -1.25 -0.79 120.40 111.19 1t14 s VAL 58 Ca 0.11 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1t14 s VAL 58 Cb 0.17 -1.73 0.07 0.00 0.56 0.00 0.00 36.38 35.45 1t14 s VAL 58 CO 0.69 -0.81 0.52 -0.46 -0.31 0.00 0.00 175.10 174.72 1t14 n ASN 59 N -0.02 0.98 0.22 4.85 0.23 -0.97 -4.65 115.26 115.90 1t14 n ASN 59 Ca -0.11 -1.76 0.15 0.00 -0.53 0.00 0.00 54.58 52.33 1t14 n ASN 59 Cb 0.62 -0.31 0.56 0.00 -2.08 0.00 0.00 39.78 38.57 1t14 n ASN 59 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1t14 h LYS 60 N 0.00 0.00 -0.00 -3.83 1.57 -1.99 -0.03 116.57 112.28 1t14 h LYS 60 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1t14 h LYS 60 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1t14 h LYS 60 CO 0.21 0.00 -0.00 1.63 -0.57 0.00 0.00 179.45 180.72 1t14 n LYS 61 N -2.80 0.92 -0.99 3.15 5.02 -1.26 -4.89 118.16 117.32 1t14 n LYS 61 Ca 0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1t14 n LYS 61 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1t14 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t14 n GLY 62 N 1.07 0.48 3.67 0.72 0.00 -0.03 -4.15 105.19 106.95 1t14 n GLY 62 Ca 0.22 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1t14 n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t14 s GLU 63 N -0.48 4.35 -0.02 1.61 2.02 -1.26 -4.20 118.70 120.72 1t14 s GLU 63 Ca 0.00 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.02 1t14 s GLU 63 Cb 0.00 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1t14 s GLU 63 CO 0.00 -0.43 1.12 0.12 0.02 0.00 0.00 175.26 176.08 1t14 s PHE 64 N 2.47 3.42 -0.80 1.61 5.36 -1.26 -2.28 117.98 126.50 1t14 s PHE 64 Ca 0.45 1.41 -0.09 0.00 -0.96 0.00 0.00 56.93 57.75 1t14 s PHE 64 Cb -0.17 -3.31 0.21 0.00 -0.34 0.00 0.00 43.02 39.41 1t14 s PHE 64 CO 0.13 -0.82 0.70 1.21 -1.46 0.00 0.00 175.22 174.98 1t14 s ASN 65 N 1.19 6.28 0.09 6.13 3.84 0.03 -4.97 114.94 127.53 1t14 s ASN 65 Ca 0.54 -2.92 -0.23 0.00 0.21 0.00 0.00 52.86 50.47 1t14 s ASN 65 Cb -0.24 -2.08 -0.14 0.00 -0.55 0.00 0.00 41.25 38.24 1t14 s ASN 65 CO 0.25 -0.45 1.74 0.00 -2.79 0.00 0.00 177.10 175.84 1t14 h ALA 66 N 7.29 0.00 -1.00 1.71 0.00 -1.92 0.46 119.26 125.80 1t14 h ALA 66 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1t14 h ALA 66 Cb 0.98 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1t14 h ALA 66 CO 0.77 -0.50 0.63 -1.35 0.00 0.00 0.00 179.25 178.80 1t14 h PRO 67 N -0.01 0.94 -0.15 0.00 0.11 -1.99 0.17 132.00 131.07 1t14 h PRO 67 Ca 0.01 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 1t14 h PRO 67 Cb 0.02 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1t14 h PRO 67 CO -0.01 0.62 -0.68 -0.22 -0.21 0.00 0.00 178.00 177.50 1t14 h LYS 68 N 0.97 0.60 -0.23 1.05 1.63 -1.65 -1.78 116.57 117.15 1t14 h LYS 68 Ca 0.51 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1t14 h LYS 68 Cb 0.54 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1t14 h LYS 68 CO -0.28 1.07 0.15 0.00 -3.45 0.00 0.00 179.45 176.95 1t14 h ALA 69 N 0.81 0.30 -0.94 5.00 0.00 0.43 0.92 119.26 125.78 1t14 h ALA 69 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1t14 h ALA 69 Cb 1.27 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1t14 h ALA 69 CO 0.13 -0.21 0.63 -0.07 0.00 0.00 0.00 179.25 179.72 1t14 h LEU 70 N 0.31 1.08 -0.64 0.00 3.38 -0.57 0.07 115.31 118.94 1t14 h LEU 70 Ca 0.09 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1t14 h LEU 70 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1t14 h LEU 70 CO -0.02 0.78 -0.30 0.00 0.09 0.00 0.00 178.44 179.00 1t14 h ALA 71 N 1.41 0.90 0.00 1.53 0.00 -1.03 -3.14 119.26 118.94 1t14 h ALA 71 Ca 0.35 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1t14 h ALA 71 Cb -0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1t14 h ALA 71 CO -0.07 0.38 -0.79 1.96 0.00 0.00 0.00 179.25 180.72 1t14 h GLN 72 N 0.00 0.00 -0.91 0.00 1.08 0.51 -3.40 115.11 112.38 1t14 h GLN 72 Ca -0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.42 1t14 h GLN 72 Cb 0.98 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.25 1t14 h GLN 72 CO 0.04 0.64 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.45 1t14 h LEU 73 N 0.00 -0.54 -2.24 1.46 3.38 -0.99 0.14 115.31 116.53 1t14 h LEU 73 Ca -0.03 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1t14 h LEU 73 Cb 1.55 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1t14 h LEU 73 CO 0.08 -0.29 0.23 -0.65 0.09 0.00 0.00 178.44 177.90 1t14 h PRO 74 N 0.04 0.00 -0.01 1.13 0.11 -1.81 0.47 132.00 131.93 1t14 h PRO 74 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1t14 h PRO 74 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1t14 h PRO 74 CO -0.86 0.00 -0.30 0.72 -0.21 0.00 0.00 178.00 177.35 1t14 n HIS 75 N -3.56 0.00 -0.06 0.65 8.25 0.47 -4.12 115.22 116.86 1t14 n HIS 75 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1t14 n HIS 75 Cb 0.34 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 1t14 n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1t14 n LEU 76 N -0.07 2.17 -4.26 2.41 4.77 0.01 -5.00 117.00 117.02 1t14 n LEU 76 Ca 0.12 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1t14 n LEU 76 Cb 0.43 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 1t14 n LEU 76 CO 0.25 0.52 -0.51 0.68 -1.33 0.00 0.00 177.39 177.00 1t14 s VAL 77 N -2.22 1.59 0.81 4.08 -7.23 -0.34 -4.99 120.40 112.11 1t14 s VAL 77 Ca -0.15 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 1t14 s VAL 77 Cb 0.05 -1.44 0.08 0.00 0.56 0.00 0.00 36.38 35.62 1t14 s VAL 77 CO 0.23 -0.02 1.09 -2.16 -0.31 0.00 0.00 175.10 173.94 1t14 s PRO 78 N -1.69 1.93 0.37 4.82 0.04 -1.26 -4.59 135.00 134.61 1t14 s PRO 78 Ca 0.05 1.11 0.14 0.00 0.04 0.00 0.00 61.00 62.34 1t14 s PRO 78 Cb -0.10 -1.86 0.97 0.00 0.04 0.00 0.00 34.50 33.55 1t14 s PRO 78 CO 0.03 -1.85 1.79 -1.35 0.04 0.00 0.00 177.00 175.66 1t14 h PRO 79 N -1.28 0.51 0.00 0.56 0.11 -1.95 0.45 132.00 130.40 1t14 h PRO 79 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t14 h PRO 79 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1t14 h PRO 79 CO 0.51 0.34 0.06 0.93 -0.21 0.00 0.00 178.00 179.64 1t14 h GLU 80 N 0.53 0.00 -0.00 1.05 3.07 -1.93 -2.61 114.58 114.68 1t14 h GLU 80 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1t14 h GLU 80 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1t14 h GLU 80 CO -0.30 0.00 -0.09 -1.33 -1.40 0.00 0.00 179.01 175.89 1t14 n MET 81 N -2.71 1.80 0.15 2.33 2.81 0.13 -4.76 117.12 116.87 1t14 n MET 81 Ca -0.02 -0.53 -0.14 0.00 -1.81 0.00 0.00 57.70 55.20 1t14 n MET 81 Cb 0.11 -0.97 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 1t14 n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1t14 h MET 82 N 0.71 -0.32 -0.35 0.03 2.86 -1.20 -1.14 114.93 115.52 1t14 h MET 82 Ca 0.00 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1t14 h MET 82 Cb 0.19 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1t14 h MET 82 CO 0.00 -0.21 0.21 1.49 1.06 0.00 0.00 176.91 179.46 1t14 h GLU 83 N -0.33 0.47 -0.67 1.72 4.57 -1.86 0.33 114.58 118.81 1t14 h GLU 83 Ca -0.02 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1t14 h GLU 83 Cb 0.27 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 1t14 h GLU 83 CO 0.03 0.35 0.37 1.98 -1.18 0.00 0.00 179.01 180.55 1t14 h MET 84 N 0.45 0.65 -0.26 1.92 4.05 -1.86 -0.81 114.93 119.07 1t14 h MET 84 Ca 0.12 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.39 1t14 h MET 84 Cb -0.00 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1t14 h MET 84 CO -0.02 0.43 -0.27 0.77 0.23 0.00 0.00 176.91 178.04 1t14 h SER 85 N 0.67 0.69 -0.46 1.39 0.02 -0.62 -0.22 113.55 115.01 1t14 h SER 85 Ca 0.31 -0.48 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1t14 h SER 85 Cb 0.22 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1t14 h SER 85 CO -0.20 1.03 0.08 0.03 -1.14 0.00 0.00 176.83 176.62 1t14 h ARG 86 N 0.37 0.20 -0.74 3.45 3.08 -0.19 0.35 114.38 120.90 1t14 h ARG 86 Ca 0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1t14 h ARG 86 Cb 0.84 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1t14 h ARG 86 CO 0.07 0.13 0.44 -0.22 -1.07 0.00 0.00 179.97 179.32 1t14 h LYS 87 N 0.20 0.80 -0.35 0.04 3.64 -0.96 -2.64 116.57 117.31 1t14 h LYS 87 Ca 0.23 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 1t14 h LYS 87 Cb 0.31 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1t14 h LYS 87 CO -0.32 0.53 -0.39 0.77 -2.27 0.00 0.00 179.45 177.78 1t14 h SER 88 N 0.83 0.94 -0.40 4.20 0.02 0.22 -1.06 113.55 118.30 1t14 h SER 88 Ca 0.32 -0.48 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1t14 h SER 88 Cb 0.14 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.32 1t14 h SER 88 CO -0.16 1.23 -0.21 0.58 -1.14 0.00 0.00 176.83 177.13 1t14 h VAL 89 N 0.68 0.39 -0.48 2.27 2.07 -0.27 -2.08 116.25 118.83 1t14 h VAL 89 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1t14 h VAL 89 Cb 0.98 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1t14 h VAL 89 CO 0.09 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.92 1t14 h GLU 90 N -0.14 0.63 0.00 1.57 4.57 -1.25 -0.37 114.58 119.59 1t14 h GLU 90 Ca 0.19 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 1t14 h GLU 90 Cb 0.44 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1t14 h GLU 90 CO -0.49 0.42 -0.14 0.00 -1.18 0.00 0.00 179.01 177.62 1t14 h ALA 91 N 1.18 1.07 -0.01 2.92 0.00 -1.06 -3.30 119.26 120.06 1t14 h ALA 91 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1t14 h ALA 91 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1t14 h ALA 91 CO -0.04 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.38 1t14 h ARG 93 N 0.82 0.00 -0.02 0.00 0.11 -1.15 -2.11 114.38 112.03 1t14 h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1t14 h ARG 93 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1t14 h ARG 93 CO 0.00 0.00 -0.31 -0.25 0.10 0.00 0.00 179.97 179.51 1t14 n ASP 94 N -4.05 2.05 -0.26 0.08 8.00 -1.26 -4.50 116.55 116.60 1t14 n ASP 94 Ca 0.02 -1.52 0.15 0.00 0.71 0.00 0.00 54.79 54.15 1t14 n ASP 94 Cb 0.32 0.36 0.43 0.00 -0.02 0.00 0.00 41.12 42.22 1t14 n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1t14 h THR 95 N 2.58 0.75 0.00 -3.53 2.02 -1.69 -1.76 112.91 111.28 1t14 h THR 95 Ca 0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1t14 h THR 95 Cb 0.70 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1t14 h THR 95 CO 0.00 0.10 -0.19 1.12 0.37 0.00 0.00 175.52 176.93 1t14 h HIS 96 N 0.57 0.00 0.00 3.16 2.07 -1.79 -2.60 115.15 116.55 1t14 h HIS 96 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 1t14 h HIS 96 Cb 0.94 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.92 1t14 h HIS 96 CO -0.00 0.19 0.00 0.87 -3.07 0.00 0.00 177.93 175.92 1t14 h LYS 97 N 0.00 0.00 0.00 5.12 1.57 -1.64 -1.79 116.57 119.83 1t14 h LYS 97 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1t14 h LYS 97 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1t14 h LYS 97 CO 0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 1t14 n GLN 98 N -2.84 0.27 -4.20 3.15 6.02 -0.98 -4.89 117.38 113.91 1t14 n GLN 98 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1t14 n GLN 98 Cb 0.22 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 1t14 n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1t14 s PHE 99 N -2.72 1.13 -0.15 1.08 0.40 -0.67 -5.08 117.98 111.96 1t14 s PHE 99 Ca 0.23 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1t14 s PHE 99 Cb 0.20 -0.60 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 1t14 s PHE 99 CO 0.48 0.02 -0.12 1.63 0.70 0.00 0.00 175.22 177.92 1t14 n LYS 100 N 0.20 0.46 -3.04 0.44 4.01 -1.26 -4.86 118.16 114.11 1t14 n LYS 100 Ca -0.13 0.08 -0.39 0.00 -0.51 0.00 0.00 58.31 57.35 1t14 n LYS 100 Cb 0.59 -1.30 -0.05 0.00 -0.51 0.00 0.00 35.03 33.76 1t14 n LYS 100 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1t14 s GLU 101 N -2.30 4.46 0.20 1.97 -6.30 -1.26 -4.93 118.70 110.55 1t14 s GLU 101 Ca -0.19 1.01 -0.10 0.00 -2.50 0.00 0.00 54.97 53.19 1t14 s GLU 101 Cb 0.05 -3.32 0.15 0.00 0.00 0.00 0.00 34.13 31.01 1t14 s GLU 101 CO 0.35 0.41 1.83 0.66 0.02 0.00 0.00 175.26 178.53 1t14 h SER 102 N 5.20 0.92 -0.42 -1.70 4.64 -1.90 -0.92 113.55 119.36 1t14 h SER 102 Ca -0.45 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 60.73 1t14 h SER 102 Cb 1.21 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1t14 h SER 102 CO 0.69 0.73 0.07 0.00 -0.87 0.00 0.00 176.83 177.45 1t14 h GLU 104 N 0.54 1.00 -0.42 0.00 4.81 -1.79 -1.20 114.58 117.53 1t14 h GLU 104 Ca 0.13 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1t14 h GLU 104 Cb 0.37 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1t14 h GLU 104 CO 0.01 0.77 -0.06 0.00 -0.73 0.00 0.00 179.01 179.00 1t14 h ARG 105 N 0.98 0.04 -0.02 1.92 3.08 -0.96 -0.44 114.38 118.98 1t14 h ARG 105 Ca 0.25 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1t14 h ARG 105 Cb 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1t14 h ARG 105 CO -0.04 0.03 -0.02 0.28 -1.07 0.00 0.00 179.97 179.15 1t14 h VAL 106 N 0.04 1.37 -0.65 2.04 2.07 -1.22 -2.62 116.25 117.28 1t14 h VAL 106 Ca 0.20 -1.12 0.14 0.00 0.82 0.00 0.00 66.70 66.74 1t14 h VAL 106 Cb 0.30 2.08 -0.12 0.00 -1.52 0.00 0.00 31.29 32.03 1t14 h VAL 106 CO -0.39 0.30 -0.08 0.22 0.02 0.00 0.00 177.57 177.63 1t14 h TYR 107 N -0.40 -0.19 -0.03 1.57 3.20 -1.06 0.61 116.97 120.67 1t14 h TYR 107 Ca 0.00 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1t14 h TYR 107 Cb 0.49 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1t14 h TYR 107 CO 0.09 -0.23 -0.32 1.96 -1.64 0.00 0.00 178.16 178.01 1t14 h GLN 108 N 0.05 0.05 -0.22 1.82 1.08 -1.08 0.61 115.11 117.42 1t14 h GLN 108 Ca 0.33 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.41 1t14 h GLN 108 Cb 0.53 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1t14 h GLN 108 CO -0.61 0.37 -0.25 1.15 -0.95 0.00 0.00 178.83 178.54 1t14 h THR 109 N 0.05 1.32 -0.60 -0.54 2.02 -0.92 -0.19 112.91 114.05 1t14 h THR 109 Ca 0.00 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1t14 h THR 109 Cb 0.60 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 1t14 h THR 109 CO 0.04 0.44 0.29 0.00 0.37 0.00 0.00 175.52 176.66 1t14 h ALA 110 N 0.65 0.78 -0.60 6.16 0.00 -0.54 -0.87 119.26 124.85 1t14 h ALA 110 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1t14 h ALA 110 Cb 0.81 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1t14 h ALA 110 CO 0.06 0.34 0.28 -0.22 0.00 0.00 0.00 179.25 179.71 1t14 h LYS 111 N 0.82 0.87 -0.65 0.00 3.64 -0.85 0.88 116.57 121.28 1t14 h LYS 111 Ca 0.21 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1t14 h LYS 111 Cb 0.12 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1t14 h LYS 111 CO -0.03 0.71 0.30 0.00 -2.27 0.00 0.00 179.45 178.17 1t14 h PHE 113 N 0.53 0.41 -0.43 0.00 0.04 -0.42 0.10 116.94 117.17 1t14 h PHE 113 Ca 0.32 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 1t14 h PHE 113 Cb 0.34 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1t14 h PHE 113 CO -0.13 0.24 0.18 0.66 -0.60 0.00 0.00 178.31 178.66 1t14 h SER 114 N 0.44 0.55 0.55 2.17 4.64 -0.33 -1.15 113.55 120.41 1t14 h SER 114 Ca 0.14 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 61.12 1t14 h SER 114 Cb -0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1t14 h SER 114 CO -0.06 0.50 -1.50 -0.33 -0.87 0.00 0.00 176.83 174.57 1t14 h GLU 115 N 0.61 0.14 0.00 4.77 5.08 -0.74 -3.29 114.58 121.15 1t14 h GLU 115 Ca 0.15 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1t14 h GLU 115 Cb 0.12 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1t14 h GLU 115 CO -0.02 0.95 -0.29 0.09 -1.00 0.00 0.00 179.01 178.74 1t14 n ASN 116 N -3.33 0.37 -4.70 1.42 3.02 0.32 -4.86 115.26 107.48 1t14 n ASN 116 Ca -0.14 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 1t14 n ASN 116 Cb 1.03 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 1t14 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t14 s ALA 117 N -3.03 3.79 -1.92 5.41 0.00 -0.44 -4.86 121.76 120.71 1t14 s ALA 117 Ca 0.11 1.43 0.16 0.00 0.00 0.00 0.00 51.96 53.67 1t14 s ALA 117 Cb 0.17 -3.73 0.46 0.00 0.00 0.00 0.00 23.12 20.03 1t14 s ALA 117 CO 0.63 -1.11 1.38 -0.40 0.00 0.00 0.00 175.76 176.26 1t14 n ASP 118 N 5.21 2.86 0.00 0.00 3.85 -1.26 -4.87 116.55 122.34 1t14 n ASP 118 Ca 0.17 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1t14 n ASP 118 Cb 0.38 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 1t14 n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1t14 n GLY 119 N 1.28 4.05 3.74 6.12 0.00 -1.26 -5.14 105.19 113.98 1t14 n GLY 119 Ca 0.17 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1t14 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t14 s GLN 120 N 1.19 4.32 -0.03 1.61 -0.21 -1.26 -5.01 119.66 120.27 1t14 s GLN 120 Ca 0.00 2.17 0.05 0.00 0.02 0.00 0.00 55.36 57.61 1t14 s GLN 120 Cb 0.00 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 1t14 s GLN 120 CO 0.00 -0.35 -0.18 0.12 -2.12 0.00 0.00 175.29 172.76 1t14 s PHE 121 N 0.18 2.59 -0.05 0.91 2.19 -1.26 -5.10 117.98 117.44 1t14 s PHE 121 Ca 0.59 -0.24 0.03 0.00 0.33 0.00 0.00 56.93 57.64 1t14 s PHE 121 Cb -0.39 -1.58 0.01 0.00 -1.31 0.00 0.00 43.02 39.75 1t14 s PHE 121 CO 0.39 0.13 -0.12 -1.64 1.83 0.00 0.00 175.22 175.82 1t14 s MET 122 N -0.77 1.53 -0.06 10.12 -1.94 -1.26 -2.45 119.30 124.47 1t14 s MET 122 Ca 0.11 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.69 1t14 s MET 122 Cb -0.10 -1.31 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 1t14 s MET 122 CO 0.01 0.09 -0.09 -0.46 -0.01 0.00 0.00 175.02 174.55 1t14 s TRP 123 N 0.44 2.85 -1.75 -0.03 -0.11 -1.12 -4.96 118.94 114.26 1t14 s TRP 123 Ca -0.10 -0.04 0.00 0.00 1.22 0.00 0.00 56.10 57.18 1t14 s TRP 123 Cb -0.13 -1.68 0.00 0.00 -1.50 0.00 0.00 33.47 30.16 1t14 s TRP 123 CO 0.03 0.28 0.44 -2.30 -4.62 0.00 0.00 176.95 170.78