#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mh2 h THR 2 N 0.00 0.79 -0.27 -0.44 2.02 -1.00 -1.85 112.91 112.17 1mh2 h THR 2 Ca 0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1mh2 h THR 2 Cb 0.00 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1mh2 h THR 2 CO 0.00 0.03 -0.16 -0.25 0.37 0.00 0.00 175.52 175.51 1mh2 h TRP 3 N 0.15 0.69 -0.18 3.16 7.01 -1.98 -2.87 115.95 121.93 1mh2 h TRP 3 Ca 0.26 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1mh2 h TRP 3 Cb 0.83 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1mh2 h TRP 3 CO -0.00 0.85 0.10 1.96 -2.79 0.00 0.00 178.44 178.56 1mh2 h GLN 4 N 0.32 0.24 -0.04 2.65 4.20 -1.75 -0.74 115.11 120.00 1mh2 h GLN 4 Ca 0.06 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1mh2 h GLN 4 Cb 0.69 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1mh2 h GLN 4 CO 0.05 0.18 -0.33 0.35 -0.67 0.00 0.00 178.83 178.41 1mh2 h PHE 5 N 0.25 0.08 -0.30 2.96 3.57 -1.28 -1.75 116.94 120.47 1mh2 h PHE 5 Ca 0.07 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1mh2 h PHE 5 Cb 0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1mh2 h PHE 5 CO 0.00 0.40 -0.45 0.87 -2.23 0.00 0.00 178.31 176.90 1mh2 h LYS 6 N 0.07 0.77 -0.44 1.11 1.57 -0.94 -2.59 116.57 116.13 1mh2 h LYS 6 Ca 0.01 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 1mh2 h LYS 6 Cb 0.62 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1mh2 h LYS 6 CO 0.05 1.06 -0.18 -0.91 -0.57 0.00 0.00 179.45 178.89 1mh2 h ASN 7 N 0.62 0.87 -0.13 0.86 2.35 -1.11 -2.63 115.58 116.41 1mh2 h ASN 7 Ca 0.04 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1mh2 h ASN 7 Cb 1.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1mh2 h ASN 7 CO 0.10 1.03 0.07 0.24 -1.65 0.00 0.00 177.43 177.22 1mh2 h MET 8 N 0.75 0.18 -0.83 0.81 2.86 -1.20 0.65 114.93 118.15 1mh2 h MET 8 Ca 0.11 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 1mh2 h MET 8 Cb 0.71 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1mh2 h MET 8 CO 0.05 0.20 0.54 0.82 1.06 0.00 0.00 176.91 179.59 1mh2 h ILE 9 N 0.11 0.87 -0.00 -1.22 2.04 -1.36 0.87 117.51 118.82 1mh2 h ILE 9 Ca 0.05 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1mh2 h ILE 9 Cb 0.07 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1mh2 h ILE 9 CO -0.01 0.12 -0.77 0.28 0.00 0.00 0.00 178.15 177.77 1mh2 h SER 10 N 0.65 0.03 1.01 1.72 0.02 -1.05 0.40 113.55 116.33 1mh2 h SER 10 Ca 0.40 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1mh2 h SER 10 Cb 0.65 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1mh2 h SER 10 CO -0.17 0.79 -0.06 0.00 -1.14 0.00 0.00 176.83 176.25 1mh2 n THR 12 N -3.19 0.41 -3.47 0.00 -2.24 -0.71 -3.99 114.28 101.10 1mh2 n THR 12 Ca 0.01 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1mh2 n THR 12 Cb 0.35 -0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 1mh2 n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1mh2 n VAL 13 N -2.19 0.30 0.29 2.28 0.31 0.14 -4.79 118.33 114.67 1mh2 n VAL 13 Ca -0.10 -4.27 0.18 0.00 -0.01 0.00 0.00 64.34 60.14 1mh2 n VAL 13 Cb 0.65 -1.95 0.80 0.00 -0.91 0.00 0.00 33.84 32.44 1mh2 n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1mh2 h PRO 14 N 4.86 0.00 0.00 5.55 0.11 -1.69 -2.73 132.00 138.11 1mh2 h PRO 14 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1mh2 h PRO 14 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1mh2 h PRO 14 CO 0.57 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1mh2 n SER 15 N -3.11 0.00 -3.83 -2.05 3.41 -1.26 -4.84 113.62 101.94 1mh2 n SER 15 Ca -0.00 -0.66 -0.15 0.00 -0.26 0.00 0.00 58.87 57.79 1mh2 n SER 15 Cb 0.25 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 1mh2 n SER 15 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mh2 s ARG 17 N -2.11 1.45 0.29 4.33 0.52 -1.03 -5.17 118.95 117.22 1mh2 s ARG 17 Ca 0.36 -1.79 0.11 0.00 -0.52 0.00 0.00 55.73 53.89 1mh2 s ARG 17 Cb 0.18 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.90 1mh2 s ARG 17 CO 0.31 -0.51 -0.13 0.45 0.02 0.00 0.00 175.30 175.44 1mh2 s SER 18 N -3.25 3.86 0.57 0.23 0.15 -1.26 -4.79 113.70 109.21 1mh2 s SER 18 Ca 0.39 -0.96 0.30 0.00 0.70 0.00 0.00 55.95 56.38 1mh2 s SER 18 Cb 0.05 -0.44 1.74 0.00 -1.71 0.00 0.00 66.02 65.66 1mh2 s SER 18 CO 0.19 -0.01 2.21 4.11 1.20 0.00 0.00 173.24 180.93 1mh2 h TRP 19 N 2.13 0.00 -0.69 3.44 0.09 -1.95 -1.38 115.95 117.58 1mh2 h TRP 19 Ca -0.41 0.00 0.13 0.00 0.09 0.00 0.00 58.89 58.70 1mh2 h TRP 19 Cb 1.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.45 1mh2 h TRP 19 CO 0.77 0.04 0.46 -1.49 0.09 0.00 0.00 178.44 178.31 1mh2 h TRP 20 N 0.00 0.43 0.00 0.12 4.06 -1.98 0.58 115.95 119.15 1mh2 h TRP 20 Ca -0.00 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1mh2 h TRP 20 Cb 0.10 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1mh2 h TRP 20 CO 0.00 0.18 -0.07 -0.44 -3.56 0.00 0.00 178.44 174.55 1mh2 h ASP 21 N 0.38 0.00 -0.02 -3.49 5.19 -1.65 -1.22 116.42 115.61 1mh2 h ASP 21 Ca 0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1mh2 h ASP 21 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1mh2 h ASP 21 CO -0.10 0.07 -0.20 0.49 -3.12 0.00 0.00 179.24 176.38 1mh2 n PHE 22 N -3.59 0.00 0.18 4.55 3.72 0.18 -4.43 117.46 118.07 1mh2 n PHE 22 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 1mh2 n PHE 22 Cb 0.18 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.05 1mh2 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mh2 h ALA 23 N 3.10 1.02 -1.77 4.37 0.00 0.44 -2.49 119.26 123.93 1mh2 h ALA 23 Ca 0.00 -0.36 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 1mh2 h ALA 23 Cb 0.63 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.04 1mh2 h ALA 23 CO 0.00 0.50 -0.87 -3.47 0.00 0.00 0.00 179.25 175.41 1mh2 n ASP 24 N -3.60 -1.16 -3.81 0.00 -0.08 -1.25 -3.55 116.55 103.11 1mh2 n ASP 24 Ca -0.00 -2.65 -0.16 0.00 -1.51 0.00 0.00 54.79 50.47 1mh2 n ASP 24 Cb 0.51 0.12 -0.16 0.00 2.34 0.00 0.00 41.12 43.93 1mh2 n ASP 24 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1mh2 s TYR 25 N -0.01 0.20 0.00 -0.67 6.14 -1.26 -1.35 117.35 120.41 1mh2 s TYR 25 Ca 0.33 0.04 0.00 0.00 0.64 0.00 0.00 57.07 58.08 1mh2 s TYR 25 Cb 0.08 -0.33 0.00 0.00 0.42 0.00 0.00 41.96 42.13 1mh2 s TYR 25 CO -0.15 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.34 1mh2 n GLY 26 N 4.09 0.73 0.07 8.97 0.00 -0.64 -2.89 105.19 115.51 1mh2 n GLY 26 Ca -0.27 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 1mh2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 n TYR 28 N -2.65 0.00 -1.29 0.00 4.02 -1.26 -3.60 117.16 112.38 1mh2 n TYR 28 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.39 1mh2 n TYR 28 Cb 0.92 -0.39 0.10 0.00 -0.02 0.00 0.00 39.34 39.95 1mh2 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mh2 n GLY 30 N -1.31 1.08 0.00 0.00 0.00 -0.94 -4.38 105.19 99.64 1mh2 n GLY 30 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1mh2 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mh2 n ARG 31 N 0.00 0.00 -2.22 1.61 0.63 -1.26 -4.96 116.66 110.47 1mh2 n ARG 31 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1mh2 n ARG 31 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1mh2 n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1mh2 s GLY 32 N -0.22 2.04 0.32 5.14 0.00 -1.26 -4.94 107.32 108.40 1mh2 s GLY 32 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 44.72 45.83 1mh2 s GLY 32 CO 0.00 2.31 0.41 -0.32 0.00 0.00 0.00 173.10 175.50 1mh2 s GLY 33 N 1.18 1.60 -0.30 0.20 0.00 -1.26 -4.60 107.32 104.15 1mh2 s GLY 33 Ca 0.63 -1.49 -0.26 0.00 0.00 0.00 0.00 44.72 43.61 1mh2 s GLY 33 CO 0.30 -1.42 1.42 -1.35 0.00 0.00 0.00 173.10 172.06 1mh2 s SER 34 N -4.11 -0.06 0.00 1.64 1.04 -1.24 -5.00 113.70 105.98 1mh2 s SER 34 Ca 0.43 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1mh2 s SER 34 Cb -0.09 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1mh2 s SER 34 CO 0.30 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1mh2 n GLY 35 N 1.45 -1.09 3.71 7.32 0.00 -1.13 -4.73 105.19 110.72 1mh2 n GLY 35 Ca -0.09 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 1mh2 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mh2 s THR 36 N 0.00 5.14 0.41 2.61 2.01 -1.26 -4.96 115.64 119.58 1mh2 s THR 36 Ca 0.00 1.09 0.34 0.00 0.31 0.00 0.00 61.69 63.43 1mh2 s THR 36 Cb 0.00 -3.88 0.51 0.00 0.01 0.00 0.00 72.50 69.13 1mh2 s THR 36 CO 0.00 0.28 1.27 -2.65 -0.69 0.00 0.00 174.62 172.83 1mh2 n PRO 37 N 3.87 -0.01 0.00 4.92 -0.02 -1.26 -4.74 135.00 137.75 1mh2 n PRO 37 Ca -0.05 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1mh2 n PRO 37 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1mh2 n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1mh2 n SER 38 N -3.95 0.00 -3.57 2.55 2.88 -1.26 -4.33 113.62 105.94 1mh2 n SER 38 Ca 0.35 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1mh2 n SER 38 Cb 1.46 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 64.15 1mh2 n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mh2 s ASP 39 N -2.38 -0.28 0.14 -3.46 2.15 -1.26 -4.99 116.67 106.59 1mh2 s ASP 39 Ca 0.00 0.18 -0.16 0.00 0.43 0.00 0.00 52.55 53.00 1mh2 s ASP 39 Cb 0.00 0.26 -0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1mh2 s ASP 39 CO 0.00 -0.35 1.75 0.44 -0.17 0.00 0.00 175.17 176.84 1mh2 h ASP 40 N 2.26 0.48 -0.29 -0.34 3.32 -1.94 0.84 116.42 120.74 1mh2 h ASP 40 Ca -0.16 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.84 1mh2 h ASP 40 Cb 1.18 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1mh2 h ASP 40 CO 0.28 0.42 0.11 0.25 -1.72 0.00 0.00 179.24 178.58 1mh2 h LEU 41 N 0.49 0.13 -0.99 1.55 5.85 -1.91 -0.87 115.31 119.56 1mh2 h LEU 41 Ca 0.14 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1mh2 h LEU 41 Cb 0.05 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1mh2 h LEU 41 CO -0.02 0.11 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.33 1mh2 h ASP 42 N 0.24 0.63 -0.48 1.25 1.82 -1.70 -1.41 116.42 116.77 1mh2 h ASP 42 Ca 0.13 -0.16 0.07 0.00 -0.39 0.00 0.00 57.03 56.68 1mh2 h ASP 42 Cb 0.09 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1mh2 h ASP 42 CO -0.12 0.75 0.32 -0.09 -1.61 0.00 0.00 179.24 178.48 1mh2 h ARG 43 N 0.60 0.35 -0.27 0.28 2.43 0.18 0.41 114.38 118.35 1mh2 h ARG 43 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1mh2 h ARG 43 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1mh2 h ARG 43 CO 0.03 0.23 0.13 0.00 -1.51 0.00 0.00 179.97 178.85 1mh2 h GLN 46 N 1.11 0.89 -0.74 0.00 4.15 -0.86 -1.61 115.11 118.05 1mh2 h GLN 46 Ca 0.27 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1mh2 h GLN 46 Cb 0.08 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1mh2 h GLN 46 CO -0.04 0.73 0.30 1.15 -1.93 0.00 0.00 178.83 179.05 1mh2 h THR 47 N 0.84 1.25 -0.56 2.39 2.02 -0.96 -1.93 112.91 115.96 1mh2 h THR 47 Ca 0.21 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.66 1mh2 h THR 47 Cb 0.14 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1mh2 h THR 47 CO -0.02 0.31 0.37 -0.74 0.37 0.00 0.00 175.52 175.81 1mh2 h HIS 48 N 1.08 0.60 -0.00 3.16 -0.00 -0.24 -0.03 115.15 119.71 1mh2 h HIS 48 Ca 0.25 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1mh2 h HIS 48 Cb 0.19 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1mh2 h HIS 48 CO 0.02 0.34 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.84 1mh2 h ASP 49 N 0.62 0.01 -1.00 3.26 5.19 -0.61 -2.37 116.42 121.52 1mh2 h ASP 49 Ca 0.23 -0.53 0.14 0.00 -0.62 0.00 0.00 57.03 56.25 1mh2 h ASP 49 Cb 0.15 -0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.57 1mh2 h ASP 49 CO -0.06 0.54 0.62 0.78 -3.12 0.00 0.00 179.24 178.00 1mh2 h ASN 50 N -0.52 0.87 -0.65 6.45 2.35 -0.82 0.17 115.58 123.42 1mh2 h ASN 50 Ca 0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1mh2 h ASN 50 Cb 0.54 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1mh2 h ASN 50 CO 0.00 0.42 0.36 0.00 -1.65 0.00 0.00 177.43 176.56 1mh2 h TYR 52 N 0.89 1.12 -0.96 0.00 -1.99 -0.52 -0.43 116.97 115.09 1mh2 h TYR 52 Ca 0.23 -0.29 0.06 0.00 2.00 0.00 0.00 58.73 60.73 1mh2 h TYR 52 Cb 0.04 -0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.46 1mh2 h TYR 52 CO -0.01 1.12 0.62 -0.91 -0.00 0.00 0.00 178.16 178.98 1mh2 h ASN 53 N 0.80 0.99 0.08 3.88 2.35 -0.33 0.18 115.58 123.53 1mh2 h ASN 53 Ca 0.09 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1mh2 h ASN 53 Cb 0.85 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1mh2 h ASN 53 CO 0.07 0.64 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.12 1mh2 h GLU 54 N 1.12 -0.11 -0.13 0.81 4.39 -0.91 -3.04 114.58 116.71 1mh2 h GLU 54 Ca 0.41 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.15 1mh2 h GLU 54 Cb 0.16 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1mh2 h GLU 54 CO -0.15 0.29 0.16 0.00 -1.16 0.00 0.00 179.01 178.15 1mh2 h ALA 55 N 0.32 1.69 0.00 3.43 0.00 -0.46 0.19 119.26 124.43 1mh2 h ALA 55 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mh2 h ALA 55 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1mh2 h ALA 55 CO 0.02 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.43 1mh2 n GLU 56 N -3.72 0.27 0.16 0.00 1.02 0.57 -2.53 120.64 116.42 1mh2 n GLU 56 Ca 0.00 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1mh2 n GLU 56 Cb 0.27 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.41 1mh2 n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1mh2 h LYS 57 N 0.00 0.00 -6.86 3.49 1.57 -1.02 -3.44 116.57 110.30 1mh2 h LYS 57 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1mh2 h LYS 57 Cb 0.27 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.65 1mh2 h LYS 57 CO 0.00 0.46 0.68 0.42 -0.57 0.00 0.00 179.45 180.44 1mh2 s ILE 58 N -3.37 2.61 -0.14 1.86 1.01 -1.05 -4.88 121.20 117.24 1mh2 s ILE 58 Ca 0.01 0.60 -0.35 0.00 0.00 0.00 0.00 60.65 60.91 1mh2 s ILE 58 Cb 0.10 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 1mh2 s ILE 58 CO 0.71 0.13 1.89 -0.24 0.00 0.00 0.00 174.94 177.43 1mh2 n SER 59 N 1.07 3.20 -1.17 3.58 2.88 -1.26 -2.09 113.62 119.83 1mh2 n SER 59 Ca 0.01 0.94 -0.15 0.00 -1.33 0.00 0.00 58.87 58.35 1mh2 n SER 59 Cb 0.41 -1.33 -0.07 0.00 -0.75 0.00 0.00 64.21 62.48 1mh2 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mh2 n GLY 60 N 4.53 1.48 3.61 0.46 0.00 -1.26 -4.94 105.19 109.07 1mh2 n GLY 60 Ca 0.24 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1mh2 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 s ASN 62 N 2.27 5.79 0.25 0.00 -0.87 -1.26 -4.64 114.94 116.48 1mh2 s ASN 62 Ca 0.48 -2.71 -0.06 0.00 -1.57 0.00 0.00 52.86 48.99 1mh2 s ASN 62 Cb -0.09 -1.99 0.45 0.00 -0.02 0.00 0.00 41.25 39.61 1mh2 s ASN 62 CO 0.27 -0.47 1.63 -0.65 -2.57 0.00 0.00 177.10 175.32 1mh2 h PRO 63 N 7.42 0.10 -0.69 -0.60 0.11 -1.93 0.22 132.00 136.62 1mh2 h PRO 63 Ca 0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1mh2 h PRO 63 Cb 0.99 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1mh2 h PRO 63 CO 0.74 0.07 0.40 0.00 -0.21 0.00 0.00 178.00 179.00 1mh2 h ARG 64 N 0.10 0.94 -0.00 1.05 2.47 -1.94 0.30 114.38 117.30 1mh2 h ARG 64 Ca 0.42 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1mh2 h ARG 64 Cb 0.75 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1mh2 h ARG 64 CO -0.67 0.67 -0.69 1.19 0.56 0.00 0.00 179.97 181.03 1mh2 n PHE 65 N -4.38 0.00 -2.23 3.04 3.01 -0.62 -0.46 117.46 115.81 1mh2 n PHE 65 Ca 0.07 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.10 1mh2 n PHE 65 Cb 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 1mh2 n PHE 65 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1mh2 s ARG 66 N -2.42 4.16 -0.19 -1.08 6.06 0.67 -4.41 118.95 121.74 1mh2 s ARG 66 Ca 0.07 1.85 -0.23 0.00 -2.50 0.00 0.00 55.73 54.92 1mh2 s ARG 66 Cb 0.12 -3.88 -0.02 0.00 0.06 0.00 0.00 34.95 31.23 1mh2 s ARG 66 CO 0.62 -0.84 0.72 0.99 -2.50 0.00 0.00 175.30 174.29 1mh2 s THR 67 N 3.91 4.95 0.52 4.11 2.01 -1.26 0.12 115.64 130.00 1mh2 s THR 67 Ca 0.64 1.38 0.05 0.00 0.31 0.00 0.00 61.69 64.07 1mh2 s THR 67 Cb -0.26 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1mh2 s THR 67 CO 0.22 0.06 0.35 -0.72 -0.69 0.00 0.00 174.62 173.84 1mh2 s TYR 68 N 2.10 1.78 -0.19 4.92 -0.85 -1.26 -4.95 117.35 118.89 1mh2 s TYR 68 Ca 0.33 -0.81 -0.03 0.00 -0.52 0.00 0.00 57.07 56.04 1mh2 s TYR 68 Cb -0.16 -1.91 -0.01 0.00 0.38 0.00 0.00 41.96 40.26 1mh2 s TYR 68 CO 0.11 -0.35 -0.07 0.45 -1.52 0.00 0.00 175.55 174.17 1mh2 s SER 69 N -4.21 4.29 0.32 -0.18 0.15 -1.26 -5.09 113.70 107.72 1mh2 s SER 69 Ca 0.33 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 1mh2 s SER 69 Cb -0.02 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 1mh2 s SER 69 CO 0.20 0.06 0.61 -0.72 1.20 0.00 0.00 173.24 174.58 1mh2 s TYR 70 N 1.02 0.42 -0.00 3.44 1.13 -1.26 -1.74 117.35 120.37 1mh2 s TYR 70 Ca 0.00 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1mh2 s TYR 70 Cb -0.15 0.38 0.00 0.00 -1.10 0.00 0.00 41.96 41.10 1mh2 s TYR 70 CO -0.00 -1.25 -0.01 0.00 -2.51 0.00 0.00 175.55 171.77 1mh2 s ALA 71 N -3.17 0.08 -0.28 9.51 0.00 -0.01 -4.89 121.76 123.00 1mh2 s ALA 71 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1mh2 s ALA 71 Cb -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1mh2 s ALA 71 CO 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 175.76 175.87 1mh2 s THR 73 N 1.27 1.35 -1.40 0.00 2.01 -0.07 -4.81 115.64 113.99 1mh2 s THR 73 Ca -0.03 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1mh2 s THR 73 Cb -0.19 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1mh2 s THR 73 CO -0.03 0.14 0.58 0.00 -0.69 0.00 0.00 174.62 174.62 1mh2 n ALA 74 N 4.79 -1.91 -0.36 7.40 0.00 -1.26 -1.10 120.51 128.07 1mh2 n ALA 74 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1mh2 n ALA 74 Cb 0.47 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1mh2 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mh2 n GLY 75 N -1.79 1.83 3.84 0.00 0.00 -1.26 -5.01 105.19 102.80 1mh2 n GLY 75 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1mh2 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mh2 s THR 76 N -3.20 5.43 -0.13 2.61 2.01 -0.25 -4.69 115.64 117.41 1mh2 s THR 76 Ca 0.00 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1mh2 s THR 76 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1mh2 s THR 76 CO 0.00 0.57 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.69 1mh2 s LEU 77 N -0.71 3.18 -0.04 4.42 1.43 -1.26 -0.89 118.68 124.80 1mh2 s LEU 77 Ca 0.15 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1mh2 s LEU 77 Cb -0.12 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1mh2 s LEU 77 CO 0.04 0.23 0.01 -0.89 0.23 0.00 0.00 176.35 175.97 1mh2 s THR 78 N 0.01 0.18 -0.10 5.49 2.01 -0.34 -4.98 115.64 117.90 1mh2 s THR 78 Ca -0.00 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 1mh2 s THR 78 Cb -0.13 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1mh2 s THR 78 CO 0.03 0.18 0.75 0.00 -0.69 0.00 0.00 174.62 174.89 1mh2 s THR 80 N 1.28 2.09 -0.10 0.00 -4.23 -0.71 -4.98 115.64 108.99 1mh2 s THR 80 Ca 0.38 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.07 1mh2 s THR 80 Cb -0.18 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.76 1mh2 s THR 80 CO 0.17 -0.03 1.54 1.23 -0.54 0.00 0.00 174.62 176.99 1mh2 h GLY 81 N -1.01 0.00 1.30 3.99 0.00 -1.96 -3.34 103.07 102.05 1mh2 h GLY 81 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1mh2 h GLY 81 CO 0.66 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.24 1mh2 n ARG 82 N -3.27 0.08 -1.75 4.80 -4.01 -1.26 -4.74 116.66 106.51 1mh2 n ARG 82 Ca 0.02 0.13 -0.31 0.00 -1.04 0.00 0.00 57.85 56.65 1mh2 n ARG 82 Cb 0.65 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.61 1mh2 n ARG 82 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 1mh2 s ASN 83 N -2.30 5.63 0.00 2.89 0.01 -1.25 -5.02 114.94 114.90 1mh2 s ASN 83 Ca 0.05 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.60 1mh2 s ASN 83 Cb 0.03 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1mh2 s ASN 83 CO 0.05 -1.26 0.00 -0.46 -1.51 0.00 0.00 177.10 173.92 1mh2 n ASN 84 N -2.99 0.18 -0.03 -1.22 0.23 -1.26 -4.79 115.26 105.38 1mh2 n ASN 84 Ca 0.07 -0.54 -0.08 0.00 -0.53 0.00 0.00 54.58 53.49 1mh2 n ASN 84 Cb 0.55 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 1mh2 n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mh2 h ALA 85 N -0.08 -0.05 0.44 -2.53 0.00 -1.99 -1.05 119.26 114.01 1mh2 h ALA 85 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1mh2 h ALA 85 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1mh2 h ALA 85 CO 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 179.25 178.44 1mh2 h ALA 87 N -0.63 1.57 -0.38 0.00 0.00 -1.93 -1.20 119.26 116.68 1mh2 h ALA 87 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1mh2 h ALA 87 Cb 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1mh2 h ALA 87 CO 0.10 0.24 0.08 0.00 0.00 0.00 0.00 179.25 179.67 1mh2 h ALA 88 N 1.53 0.51 -0.04 0.00 0.00 -1.23 -0.35 119.26 119.68 1mh2 h ALA 88 Ca 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1mh2 h ALA 88 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1mh2 h ALA 88 CO -0.20 0.19 0.01 0.77 0.00 0.00 0.00 179.25 180.02 1mh2 h SER 89 N 0.47 0.07 -0.61 0.00 0.02 -0.99 -2.39 113.55 110.12 1mh2 h SER 89 Ca 0.12 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1mh2 h SER 89 Cb 0.33 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1mh2 h SER 89 CO 0.00 0.29 0.29 0.58 -1.14 0.00 0.00 176.83 176.86 1mh2 h VAL 90 N -0.16 1.21 -0.74 2.27 2.07 -1.22 -2.32 116.25 117.37 1mh2 h VAL 90 Ca 0.01 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1mh2 h VAL 90 Cb 0.25 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1mh2 h VAL 90 CO 0.00 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.32 1mh2 h ASP 92 N 0.98 0.94 0.35 0.00 3.58 -0.98 -0.94 116.42 120.35 1mh2 h ASP 92 Ca 0.28 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1mh2 h ASP 92 Cb -0.08 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 1mh2 h ASP 92 CO -0.06 1.10 -0.30 0.00 -2.88 0.00 0.00 179.24 177.09 1mh2 h ASP 94 N -0.67 0.33 -0.48 0.00 3.32 -1.44 -1.22 116.42 116.27 1mh2 h ASP 94 Ca -0.02 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1mh2 h ASP 94 Cb 0.59 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 1mh2 h ASP 94 CO -0.03 0.24 0.17 -0.09 -1.72 0.00 0.00 179.24 177.81 1mh2 h ARG 95 N 0.44 0.33 -0.18 3.56 2.43 -0.89 -1.14 114.38 118.93 1mh2 h ARG 95 Ca 0.17 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1mh2 h ARG 95 Cb 0.06 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1mh2 h ARG 95 CO -0.11 0.22 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.43 1mh2 h ASN 96 N 0.34 0.32 -0.21 -3.80 2.35 -0.43 -2.98 115.58 111.17 1mh2 h ASN 96 Ca 0.23 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1mh2 h ASN 96 Cb 0.23 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1mh2 h ASN 96 CO -0.23 0.57 -0.06 0.00 -1.65 0.00 0.00 177.43 176.06 1mh2 h ALA 97 N 1.46 0.29 -0.86 -0.83 0.00 -0.32 -1.85 119.26 117.15 1mh2 h ALA 97 Ca 0.05 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1mh2 h ALA 97 Cb 0.58 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1mh2 h ALA 97 CO 0.04 0.08 0.56 0.00 0.00 0.00 0.00 179.25 179.93 1mh2 h ALA 98 N 0.74 1.61 -0.21 0.00 0.00 -1.18 0.42 119.26 120.63 1mh2 h ALA 98 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1mh2 h ALA 98 Cb 0.52 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mh2 h ALA 98 CO 0.02 0.24 -0.25 0.82 0.00 0.00 0.00 179.25 180.08 1mh2 h ILE 99 N 0.91 1.33 -0.33 0.00 2.04 -1.41 -1.84 117.51 118.21 1mh2 h ILE 99 Ca 0.38 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1mh2 h ILE 99 Cb 0.30 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1mh2 h ILE 99 CO -0.15 0.44 0.09 0.00 0.00 0.00 0.00 178.15 178.53 1mh2 h PHE 101 N 0.46 -0.29 0.00 0.00 -1.00 -0.03 -2.34 116.94 113.74 1mh2 h PHE 101 Ca 0.11 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1mh2 h PHE 101 Cb 0.16 0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1mh2 h PHE 101 CO 0.01 0.05 0.00 0.00 -1.61 0.00 0.00 178.31 176.76 1mh2 n ALA 102 N -2.43 1.36 -0.02 2.45 0.00 -0.71 -2.04 120.51 119.13 1mh2 n ALA 102 Ca -0.09 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1mh2 n ALA 102 Cb 0.25 -1.16 -0.16 0.00 0.00 0.00 0.00 19.45 18.38 1mh2 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mh2 n GLY 103 N -0.67 -1.03 3.88 0.00 0.00 -0.69 -4.96 105.19 101.72 1mh2 n GLY 103 Ca 0.02 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1mh2 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mh2 s ALA 104 N -3.32 3.82 0.36 4.61 0.00 -0.87 -5.08 121.76 121.27 1mh2 s ALA 104 Ca -0.08 -0.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 1mh2 s ALA 104 Cb 0.12 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 1mh2 s ALA 104 CO 0.89 0.63 1.09 -2.14 0.00 0.00 0.00 175.76 176.23 1mh2 s PRO 105 N -1.86 4.31 -0.48 0.00 0.02 -1.26 -4.93 135.00 130.79 1mh2 s PRO 105 Ca 0.30 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.81 1mh2 s PRO 105 Cb -0.13 -2.78 0.05 0.00 0.02 0.00 0.00 34.50 31.65 1mh2 s PRO 105 CO 0.17 -0.05 0.53 -0.47 -0.33 0.00 0.00 177.00 176.85 1mh2 s TYR 106 N -1.45 3.12 -0.57 6.54 5.04 -1.26 -4.70 117.35 124.08 1mh2 s TYR 106 Ca 0.53 -0.57 -0.22 0.00 -2.44 0.00 0.00 57.07 54.36 1mh2 s TYR 106 Cb -0.27 -3.29 0.06 0.00 0.35 0.00 0.00 41.96 38.81 1mh2 s TYR 106 CO 0.34 -0.89 0.87 1.21 -1.34 0.00 0.00 175.55 175.74 1mh2 s ASN 107 N 2.43 6.26 0.51 4.32 3.84 -1.26 -4.93 114.94 126.11 1mh2 s ASN 107 Ca 0.12 -0.69 0.24 0.00 0.21 0.00 0.00 52.86 52.74 1mh2 s ASN 107 Cb -0.20 -2.39 1.33 0.00 -0.55 0.00 0.00 41.25 39.44 1mh2 s ASN 107 CO 0.11 -1.21 1.97 0.44 -2.79 0.00 0.00 177.10 175.62 1mh2 h ASP 108 N 9.31 0.09 0.21 -4.21 5.19 -1.98 0.11 116.42 125.13 1mh2 h ASP 108 Ca -0.27 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1mh2 h ASP 108 Cb 1.08 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1mh2 h ASP 108 CO 1.09 0.04 0.00 -1.20 -3.12 0.00 0.00 179.24 176.05 1mh2 n SER 109 N -4.39 0.00 -0.63 6.45 7.64 -1.26 -2.16 113.62 119.27 1mh2 n SER 109 Ca 0.12 -0.10 0.09 0.00 1.01 0.00 0.00 58.87 59.99 1mh2 n SER 109 Cb 0.63 -0.20 0.05 0.00 -1.01 0.00 0.00 64.21 63.68 1mh2 n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1mh2 n ASN 110 N -1.20 2.28 -4.74 6.43 4.13 0.02 -4.90 115.26 117.29 1mh2 n ASN 110 Ca 0.09 -1.64 -0.41 0.00 1.68 0.00 0.00 54.58 54.30 1mh2 n ASN 110 Cb 0.10 0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.44 1mh2 n ASN 110 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1mh2 s TYR 111 N -1.68 3.84 -1.01 3.10 5.04 -0.92 -1.63 117.35 124.09 1mh2 s TYR 111 Ca 0.19 1.77 -0.08 0.00 -2.44 0.00 0.00 57.07 56.51 1mh2 s TYR 111 Cb 0.15 -3.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 1mh2 s TYR 111 CO 0.29 0.27 0.84 0.09 -1.34 0.00 0.00 175.55 175.71 1mh2 n ASN 112 N 2.53 -6.52 -4.97 4.32 4.13 -0.45 -4.97 115.26 109.33 1mh2 n ASN 112 Ca 0.01 -0.67 -0.18 0.00 1.68 0.00 0.00 54.58 55.41 1mh2 n ASN 112 Cb 0.49 -4.71 -0.00 0.00 -1.54 0.00 0.00 39.78 34.02 1mh2 n ASN 112 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1mh2 s ILE 113 N -3.32 3.23 -0.76 2.41 -4.36 -1.26 -5.01 121.20 112.12 1mh2 s ILE 113 Ca 0.37 -1.09 -0.26 0.00 -0.26 0.00 0.00 60.65 59.41 1mh2 s ILE 113 Cb -0.07 -3.11 0.04 0.00 1.25 0.00 0.00 42.46 40.57 1mh2 s ILE 113 CO 0.77 -0.05 1.26 -0.62 0.24 0.00 0.00 174.94 176.55 1mh2 s ASP 114 N -4.24 6.20 0.52 4.36 2.15 -1.26 -4.84 116.67 119.55 1mh2 s ASP 114 Ca 0.50 -0.62 0.28 0.00 0.43 0.00 0.00 52.55 53.14 1mh2 s ASP 114 Cb -0.08 -2.55 1.40 0.00 -0.30 0.00 0.00 42.92 41.39 1mh2 s ASP 114 CO 0.31 -1.76 1.91 -0.07 -0.17 0.00 0.00 175.17 175.39 1mh2 h LEU 115 N 12.81 0.06 -0.22 -1.34 3.38 -1.94 -0.56 115.31 127.51 1mh2 h LEU 115 Ca -0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1mh2 h LEU 115 Cb 1.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1mh2 h LEU 115 CO 1.28 0.03 0.08 -0.61 0.09 0.00 0.00 178.44 179.31 1mh2 h GLN 116 N 0.06 0.33 -1.91 1.13 4.15 -1.94 -0.65 115.11 116.28 1mh2 h GLN 116 Ca 0.40 -0.06 -0.70 0.00 0.77 0.00 0.00 58.65 59.05 1mh2 h GLN 116 Cb 1.48 -0.05 -0.33 0.00 0.21 0.00 0.00 27.48 28.79 1mh2 h GLN 116 CO -0.03 0.40 0.33 0.00 -1.93 0.00 0.00 178.83 177.60 1mh2 n ALA 117 N -2.25 5.83 0.00 3.38 0.00 -0.24 -4.18 120.51 123.04 1mh2 n ALA 117 Ca -0.04 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.09 1mh2 n ALA 117 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1mh2 n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mh2 n ARG 118 N -0.43 0.00 -0.03 0.00 5.12 -1.04 -4.84 116.66 115.44 1mh2 n ARG 118 Ca 0.46 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.43 1mh2 n ARG 118 Cb 0.38 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.75 1mh2 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70