#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg9 s ALA 10 N 0.00 3.18 -0.38 -1.18 0.00 -1.26 -4.87 121.76 117.26 3hg9 s ALA 10 Ca 0.00 -2.27 0.12 0.00 0.00 0.00 0.00 51.96 49.81 3hg9 s ALA 10 Cb 0.00 -2.48 0.44 0.00 0.00 0.00 0.00 23.12 21.08 3hg9 s ALA 10 CO 0.00 -1.67 1.02 -1.91 0.00 0.00 0.00 175.76 173.19 3hg9 n GLU 11 N 4.76 2.16 0.00 0.00 2.13 -1.26 -4.49 120.64 123.94 3hg9 n GLU 11 Ca -0.07 -3.82 0.07 0.00 0.66 0.00 0.00 57.16 53.99 3hg9 n GLU 11 Cb 0.42 -1.70 0.36 0.00 0.27 0.00 0.00 31.44 30.80 3hg9 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3hg9 n VAL 12 N -0.24 0.39 -0.16 6.31 0.24 -1.26 -3.50 118.33 120.11 3hg9 n VAL 12 Ca 0.23 0.10 -0.06 0.00 -2.04 0.00 0.00 64.34 62.56 3hg9 n VAL 12 Cb 0.74 -0.88 0.03 0.00 -1.47 0.00 0.00 33.84 32.26 3hg9 n VAL 12 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hg9 h ASP 13 N 0.00 0.48 0.55 -1.34 3.45 -1.93 0.20 116.42 117.84 3hg9 h ASP 13 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3hg9 h ASP 13 Cb 0.08 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3hg9 h ASP 13 CO 0.00 0.34 -0.16 0.74 -1.57 0.00 0.00 179.24 178.59 3hg9 h THR 14 N 0.58 0.55 0.02 0.35 2.02 -1.94 -0.16 112.91 114.33 3hg9 h THR 14 Ca 0.19 -0.73 -0.23 0.00 0.77 0.00 0.00 66.41 66.41 3hg9 h THR 14 Cb -0.00 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3hg9 h THR 14 CO -0.08 0.15 -1.10 0.25 0.37 0.00 0.00 175.52 175.12 3hg9 h LEU 15 N 0.00 0.06 -0.15 2.58 5.85 -1.45 -2.70 115.31 119.49 3hg9 h LEU 15 Ca -0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3hg9 h LEU 15 Cb 0.47 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hg9 h LEU 15 CO 0.02 1.05 -0.00 0.00 -0.34 0.00 0.00 178.44 179.17 3hg9 h ALA 16 N 0.94 0.20 -0.79 1.25 0.00 0.24 -2.59 119.26 118.51 3hg9 h ALA 16 Ca -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hg9 h ALA 16 Cb 1.82 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 3hg9 h ALA 16 CO 0.13 -0.09 0.48 0.00 0.00 0.00 0.00 179.25 179.78 3hg9 h ARG 17 N 0.01 1.07 -0.52 0.00 -0.00 -1.08 -1.54 114.38 112.31 3hg9 h ARG 17 Ca 0.04 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.98 59.42 3hg9 h ARG 17 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 3hg9 h ARG 17 CO 0.01 0.74 0.27 0.77 0.00 0.00 0.00 179.97 181.76 3hg9 h SER 18 N 1.09 0.67 -0.47 7.04 0.02 -1.43 1.10 113.55 121.57 3hg9 h SER 18 Ca 0.29 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hg9 h SER 18 Cb -0.05 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3hg9 h SER 18 CO -0.05 0.59 0.30 0.25 -1.14 0.00 0.00 176.83 176.78 3hg9 h LEU 19 N 0.70 0.55 -0.09 5.07 6.46 -1.01 0.33 115.31 127.31 3hg9 h LEU 19 Ca 0.18 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 3hg9 h LEU 19 Cb 0.09 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3hg9 h LEU 19 CO -0.03 0.42 -0.23 -0.07 -0.62 0.00 0.00 178.44 177.92 3hg9 h LEU 20 N 0.64 0.36 -0.70 2.25 3.38 -0.81 0.82 115.31 121.26 3hg9 h LEU 20 Ca 0.17 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 57.70 3hg9 h LEU 20 Cb -0.05 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.47 3hg9 h LEU 20 CO -0.04 0.88 -0.14 0.25 0.09 0.00 0.00 178.44 179.49 3hg9 h LEU 21 N -0.14 -0.58 -0.32 1.67 5.85 0.12 0.13 115.31 122.04 3hg9 h LEU 21 Ca -0.00 0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3hg9 h LEU 21 Cb 0.83 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3hg9 h LEU 21 CO 0.05 -0.22 -0.06 0.22 -0.34 0.00 0.00 178.44 178.09 3hg9 h TYR 22 N 0.02 0.68 -0.83 1.25 3.20 0.26 -2.68 116.97 118.85 3hg9 h TYR 22 Ca 0.34 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3hg9 h TYR 22 Cb 0.54 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 3hg9 h TYR 22 CO -0.53 0.78 0.54 -0.09 -1.64 0.00 0.00 178.16 177.22 3hg9 h ARG 23 N 0.38 0.96 0.05 1.82 2.43 0.11 -2.76 114.38 117.38 3hg9 h ARG 23 Ca 0.08 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hg9 h ARG 23 Cb 0.55 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3hg9 h ARG 23 CO 0.03 0.64 -0.21 1.03 -1.51 0.00 0.00 179.97 179.95 3hg9 h SER 24 N 0.99 -0.59 1.24 -3.80 0.87 -0.41 -0.51 113.55 111.34 3hg9 h SER 24 Ca 0.34 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 3hg9 h SER 24 Cb 0.09 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3hg9 h SER 24 CO -0.11 -0.28 -0.03 0.03 -0.53 0.00 0.00 176.83 175.91 3hg9 h ARG 25 N -0.36 0.00 0.15 2.24 2.47 -1.49 0.08 114.38 117.47 3hg9 h ARG 25 Ca 0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3hg9 h ARG 25 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3hg9 h ARG 25 CO -0.16 0.03 -0.07 -0.07 0.56 0.00 0.00 179.97 180.26 3hg9 h LEU 26 N 0.00 -0.17 -0.01 3.04 3.38 -1.19 -2.85 115.31 117.52 3hg9 h LEU 26 Ca -0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hg9 h LEU 26 Cb 0.66 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3hg9 h LEU 26 CO 0.00 0.10 -0.07 0.00 0.09 0.00 0.00 178.44 178.56 3hg9 h ALA 27 N 0.37 -0.07 0.00 1.53 0.00 -0.42 -1.85 119.26 118.82 3hg9 h ALA 27 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hg9 h ALA 27 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hg9 h ALA 27 CO 0.03 -0.56 0.05 0.93 0.00 0.00 0.00 179.25 179.70 3hg9 h GLU 28 N -0.12 0.00 0.00 0.00 5.08 -1.07 -2.34 114.58 116.13 3hg9 h GLU 28 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3hg9 h GLU 28 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hg9 h GLU 28 CO -0.08 0.00 -0.36 -0.92 -1.00 0.00 0.00 179.01 176.65 3hg9 h TYR 29 N 0.00 0.00 -0.98 4.33 5.03 -1.09 -3.26 116.97 121.00 3hg9 h TYR 29 Ca 0.00 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.43 3hg9 h TYR 29 Cb 0.11 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 38.25 3hg9 h TYR 29 CO 0.00 1.05 -0.46 0.00 -1.32 0.00 0.00 178.16 177.43 3hg9 n ALA 30 N -2.86 -0.34 -0.38 1.82 0.00 -0.92 -0.69 120.51 117.14 3hg9 n ALA 30 Ca -0.15 0.91 0.37 0.00 0.00 0.00 0.00 53.44 54.57 3hg9 n ALA 30 Cb 0.50 -0.31 0.60 0.00 0.00 0.00 0.00 19.45 20.25 3hg9 n ALA 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hg9 h HIS 31 N 0.00 0.00 -0.00 0.00 -0.00 -1.49 0.78 115.15 114.44 3hg9 h HIS 31 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3hg9 h HIS 31 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3hg9 h HIS 31 CO -0.92 0.00 -0.06 0.00 -0.00 0.00 0.00 177.93 176.95 3hg9 n ALA 32 N -2.51 2.36 -3.86 5.26 0.00 -0.65 -4.71 120.51 116.40 3hg9 n ALA 32 Ca 0.30 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3hg9 n ALA 32 Cb 1.65 -0.07 -0.11 0.00 0.00 0.00 0.00 19.45 20.91 3hg9 n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hg9 s ASN 33 N -0.77 4.99 1.30 0.00 0.01 0.27 -5.09 114.94 115.65 3hg9 s ASN 33 Ca 0.02 -3.77 -0.21 0.00 -0.71 0.00 0.00 52.86 48.19 3hg9 s ASN 33 Cb 0.02 -1.69 0.32 0.00 0.41 0.00 0.00 41.25 40.31 3hg9 s ASN 33 CO 0.06 -0.11 1.03 -2.16 -1.51 0.00 0.00 177.10 174.40 3hg9 s PRO 34 N -1.35 -1.99 -0.34 -0.60 0.04 -1.21 -3.99 135.00 125.57 3hg9 s PRO 34 Ca 0.25 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 3hg9 s PRO 34 Cb -0.07 -1.49 0.01 0.00 0.04 0.00 0.00 34.50 32.99 3hg9 s PRO 34 CO -0.15 -4.24 0.14 0.41 0.04 0.00 0.00 177.00 173.20 3hg9 n GLY 35 N 0.17 -0.17 3.20 0.56 0.00 -1.26 -4.93 105.19 102.76 3hg9 n GLY 35 Ca 0.12 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3hg9 n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hg9 s PHE 36 N -4.33 1.07 -0.30 1.61 2.19 -1.26 -5.11 117.98 111.85 3hg9 s PHE 36 Ca 0.10 -1.13 0.03 0.00 0.33 0.00 0.00 56.93 56.26 3hg9 s PHE 36 Cb -0.06 -0.61 0.20 0.00 -1.31 0.00 0.00 43.02 41.24 3hg9 s PHE 36 CO 0.25 -0.36 0.68 -1.12 1.83 0.00 0.00 175.22 176.50 3hg9 s SER 37 N -3.12 -1.39 0.00 6.13 0.01 -1.19 -4.07 113.70 110.06 3hg9 s SER 37 Ca 0.25 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.61 3hg9 s SER 37 Cb 0.07 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.17 3hg9 s SER 37 CO 0.03 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3hg9 n GLY 38 N 5.28 5.56 2.69 3.44 0.00 -0.09 -4.85 105.19 117.21 3hg9 n GLY 38 Ca 0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 3hg9 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hg9 n SER 39 N 0.00 -0.14 0.00 1.61 7.64 -1.26 -4.11 113.62 117.36 3hg9 n SER 39 Ca 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.33 3hg9 n SER 39 Cb 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3hg9 n SER 39 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3hg9 n PRO 40 N -0.38 0.00 0.00 1.43 -0.02 -1.26 -4.62 135.00 130.15 3hg9 n PRO 40 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3hg9 n PRO 40 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.31 3hg9 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg9 n ALA 41 N -0.01 0.00 -0.03 3.55 0.00 -1.26 -4.89 120.51 117.87 3hg9 n ALA 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hg9 n ALA 41 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3hg9 n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hg9 n ASP 42 N 0.00 1.16 -4.75 0.00 10.43 -1.26 -4.15 116.55 117.97 3hg9 n ASP 42 Ca 0.00 0.28 -0.36 0.00 2.57 0.00 0.00 54.79 57.28 3hg9 n ASP 42 Cb 0.00 -0.16 0.03 0.00 1.84 0.00 0.00 41.12 42.83 3hg9 n ASP 42 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3hg9 s SER 43 N -6.29 5.19 0.00 -2.24 0.15 -1.26 -3.17 113.70 106.08 3hg9 s SER 43 Ca -0.12 2.34 0.00 0.00 0.70 0.00 0.00 55.95 58.87 3hg9 s SER 43 Cb 0.07 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3hg9 s SER 43 CO 0.80 -1.59 0.00 0.00 1.20 0.00 0.00 173.24 173.65 3hg9 n ALA 44 N -1.67 0.00 0.02 5.45 0.00 -1.26 -4.84 120.51 118.21 3hg9 n ALA 44 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 3hg9 n ALA 44 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.00 3hg9 n ALA 44 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hg9 h LEU 45 N 0.00 0.58 0.00 0.00 3.38 -1.70 -3.49 115.31 114.08 3hg9 h LEU 45 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3hg9 h LEU 45 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hg9 h LEU 45 CO 0.00 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.18 3hg9 n GLY 46 N 0.32 0.79 3.75 0.83 0.00 -1.25 -4.85 105.19 104.78 3hg9 n GLY 46 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3hg9 n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hg9 s LEU 47 N 0.00 4.36 0.00 0.99 0.05 -1.26 -4.84 118.68 117.97 3hg9 s LEU 47 Ca 0.00 2.88 0.00 0.00 0.05 0.00 0.00 54.13 57.06 3hg9 s LEU 47 Cb 0.00 -3.64 0.00 0.00 -2.05 0.00 0.00 46.19 40.50 3hg9 s LEU 47 CO 0.00 -0.83 0.00 -2.65 -0.55 0.00 0.00 176.35 172.32 3hg9 n PRO 48 N 1.84 0.00 0.00 1.48 -0.02 -1.26 -4.76 135.00 132.27 3hg9 n PRO 48 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3hg9 n PRO 48 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 3hg9 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg9 n ALA 49 N -3.18 0.00 0.48 3.55 0.00 -1.26 -4.76 120.51 115.34 3hg9 n ALA 49 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3hg9 n ALA 49 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 3hg9 n ALA 49 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3hg9 n TRP 50 N 0.00 0.77 -3.23 0.00 4.27 -1.26 -4.79 117.44 113.19 3hg9 n TRP 50 Ca 0.00 0.28 -0.39 0.00 -3.89 0.00 0.00 57.50 53.50 3hg9 n TRP 50 Cb 0.00 -0.95 -0.06 0.00 -1.36 0.00 0.00 31.31 28.94 3hg9 n TRP 50 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3hg9 s PHE 51 N -3.23 3.39 -0.29 -2.67 5.36 -1.26 -5.05 117.98 114.23 3hg9 s PHE 51 Ca 0.06 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3hg9 s PHE 51 Cb 0.10 -2.68 0.06 0.00 -0.34 0.00 0.00 43.02 40.16 3hg9 s PHE 51 CO 0.44 -0.08 -0.04 1.03 -1.46 0.00 0.00 175.22 175.11 3hg9 s ARG 52 N 1.56 2.32 -0.41 10.12 1.81 -1.26 -4.84 118.95 128.25 3hg9 s ARG 52 Ca 0.25 -1.33 -0.29 0.00 -1.72 0.00 0.00 55.73 52.65 3hg9 s ARG 52 Cb -0.15 -3.07 0.01 0.00 -0.45 0.00 0.00 34.95 31.29 3hg9 s ARG 52 CO 0.10 -0.61 1.30 0.21 -0.68 0.00 0.00 175.30 175.61 3hg9 s LYS 53 N 1.18 3.70 -0.74 3.54 2.36 -1.26 -4.91 119.74 123.60 3hg9 s LYS 53 Ca -0.06 0.88 -0.24 0.00 -2.55 0.00 0.00 55.97 54.00 3hg9 s LYS 53 Cb -0.20 -3.95 -0.15 0.00 -1.05 0.00 0.00 37.83 32.48 3hg9 s LYS 53 CO -0.03 -1.41 2.41 -2.30 1.55 0.00 0.00 175.35 175.57 3hg9 n PRO 54 N 7.83 0.58 -0.89 4.03 -0.02 -1.26 -4.84 135.00 140.43 3hg9 n PRO 54 Ca 0.15 -0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 60.90 3hg9 n PRO 54 Cb 0.48 -3.03 -0.05 0.00 -0.02 0.00 0.00 33.50 30.88 3hg9 n PRO 54 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hg9 n VAL 55 N 7.97 0.00 0.00 -1.45 0.31 -1.26 0.47 118.33 124.37 3hg9 n VAL 55 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3hg9 n VAL 55 Cb 0.39 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3hg9 n VAL 55 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3hg9 n ARG 56 N 1.29 0.00 -3.13 5.55 1.85 -1.26 -5.03 116.66 115.92 3hg9 n ARG 56 Ca 0.13 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.54 3hg9 n ARG 56 Cb 0.02 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.38 3hg9 n ARG 56 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3hg9 s LEU 57 N 0.00 5.38 0.33 2.89 0.20 0.18 -3.93 118.68 123.72 3hg9 s LEU 57 Ca 0.00 -1.38 0.08 0.00 0.69 0.00 0.00 54.13 53.52 3hg9 s LEU 57 Cb 0.00 -2.31 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 3hg9 s LEU 57 CO 0.00 -1.07 0.15 -1.10 -0.29 0.00 0.00 176.35 174.04 3hg9 s GLN 58 N 2.61 2.42 0.06 1.98 -0.21 -0.08 -4.89 119.66 121.55 3hg9 s GLN 58 Ca 0.11 -1.49 -0.06 0.00 0.02 0.00 0.00 55.36 53.94 3hg9 s GLN 58 Cb -0.24 -2.22 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 3hg9 s GLN 58 CO 0.07 0.14 0.12 0.20 -2.12 0.00 0.00 175.29 173.70 3hg9 s GLY 59 N -3.85 0.18 -0.23 3.09 0.00 -1.26 -1.40 107.32 103.85 3hg9 s GLY 59 Ca 0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 3hg9 s GLY 59 CO 0.23 -0.81 0.47 -0.47 0.00 0.00 0.00 173.10 172.53 3hg9 s TYR 60 N -3.27 -0.95 -0.22 1.90 5.04 -0.77 -4.16 117.35 114.92 3hg9 s TYR 60 Ca 0.01 1.67 -0.16 0.00 -2.44 0.00 0.00 57.07 56.14 3hg9 s TYR 60 Cb 0.03 0.41 -0.04 0.00 0.35 0.00 0.00 41.96 42.71 3hg9 s TYR 60 CO -0.08 -0.55 0.43 0.42 -1.34 0.00 0.00 175.55 174.44 3hg9 s ILE 61 N 2.68 5.16 -0.07 3.14 1.01 -1.26 -2.45 121.20 129.42 3hg9 s ILE 61 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3hg9 s ILE 61 Cb -0.12 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3hg9 s ILE 61 CO -0.15 0.21 -0.06 0.00 0.00 0.00 0.00 174.94 174.94 3hg9 s ALA 62 N 1.59 0.94 0.00 9.38 0.00 -1.22 -0.92 121.76 131.53 3hg9 s ALA 62 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3hg9 s ALA 62 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3hg9 s ALA 62 CO 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.66 3hg9 n ALA 63 N 4.45 0.00 0.00 0.00 0.00 -1.26 -3.71 120.51 119.99 3hg9 n ALA 63 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hg9 n ALA 63 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3hg9 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg9 n GLY 64 N 0.00 3.55 0.00 0.00 0.00 -1.26 -4.51 105.19 102.97 3hg9 n GLY 64 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3hg9 n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hg9 n THR 65 N 0.00 0.00 -2.75 2.61 -1.04 -1.24 -5.14 114.28 106.72 3hg9 n THR 65 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3hg9 n THR 65 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 3hg9 n THR 65 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3hg9 s SER 66 N 0.00 7.44 -0.13 8.00 0.01 -1.26 -3.41 113.70 124.34 3hg9 s SER 66 Ca 0.00 1.72 0.02 0.00 1.31 0.00 0.00 55.95 59.00 3hg9 s SER 66 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3hg9 s SER 66 CO 0.00 -0.11 -0.18 -0.31 0.41 0.00 0.00 173.24 173.05 3hg9 s TYR 67 N 0.26 2.28 -0.08 2.43 2.02 -1.03 -5.02 117.35 118.22 3hg9 s TYR 67 Ca 0.47 -1.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.07 3hg9 s TYR 67 Cb -0.22 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3hg9 s TYR 67 CO 0.29 -0.57 -0.24 0.00 -1.57 0.00 0.00 175.55 173.45 3hg9 s ALA 68 N 1.03 2.18 0.08 3.71 0.00 -1.26 -1.85 121.76 125.64 3hg9 s ALA 68 Ca -0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 3hg9 s ALA 68 Cb -0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3hg9 s ALA 68 CO -0.04 0.35 0.13 -0.59 0.00 0.00 0.00 175.76 175.62 3hg9 s PHE 69 N 0.10 0.26 -0.25 0.00 -0.12 -0.49 -4.98 117.98 112.49 3hg9 s PHE 69 Ca -0.11 -0.72 -0.01 0.00 -0.05 0.00 0.00 56.93 56.04 3hg9 s PHE 69 Cb -0.16 -0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.16 3hg9 s PHE 69 CO 0.06 -0.50 0.03 0.42 -0.05 0.00 0.00 175.22 175.18 3hg9 s ILE 70 N -3.88 1.05 0.40 -4.49 1.01 -1.26 -0.90 121.20 113.13 3hg9 s ILE 70 Ca 0.06 -1.12 0.11 0.00 0.00 0.00 0.00 60.65 59.70 3hg9 s ILE 70 Cb 0.06 -1.55 0.15 0.00 0.01 0.00 0.00 42.46 41.12 3hg9 s ILE 70 CO -0.10 -0.33 1.91 0.00 0.00 0.00 0.00 174.94 176.42 3hg9 h ALA 71 N 8.07 1.52 -2.13 9.38 0.00 -2.01 -3.27 119.26 130.82 3hg9 h ALA 71 Ca -0.15 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 3hg9 h ALA 71 Cb 1.07 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 3hg9 h ALA 71 CO 0.41 0.35 -0.74 0.45 0.00 0.00 0.00 179.25 179.72 3hg9 n SER 72 N -4.25 3.98 -4.72 0.00 2.88 -1.26 -5.07 113.62 105.18 3hg9 n SER 72 Ca -0.01 -3.58 -0.42 0.00 -1.33 0.00 0.00 58.87 53.52 3hg9 n SER 72 Cb 0.29 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 3hg9 n SER 72 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hg9 s PRO 73 N -3.34 4.52 0.18 -1.46 0.04 -1.24 -4.94 135.00 128.76 3hg9 s PRO 73 Ca 0.47 1.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.81 3hg9 s PRO 73 Cb 0.31 -3.38 -0.15 0.00 0.04 0.00 0.00 34.50 31.31 3hg9 s PRO 73 CO -0.13 -0.11 1.17 -2.30 0.04 0.00 0.00 177.00 175.67 3hg9 n PRO 74 N 3.64 1.24 -1.14 0.56 -0.02 -1.26 -4.93 135.00 133.08 3hg9 n PRO 74 Ca 0.07 0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 3hg9 n PRO 74 Cb 0.48 -1.94 0.12 0.00 -0.02 0.00 0.00 33.50 32.14 3hg9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg9 n ALA 75 N 1.46 -0.06 0.00 3.55 0.00 -1.26 -2.31 120.51 121.89 3hg9 n ALA 75 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3hg9 n ALA 75 Cb 0.25 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3hg9 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg9 n GLY 76 N 0.63 3.13 0.14 0.00 0.00 -1.26 -4.91 105.19 102.93 3hg9 n GLY 76 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 3hg9 n GLY 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hg9 h LEU 77 N 0.00 0.61 -0.66 0.99 5.85 -1.81 -0.83 115.31 119.47 3hg9 h LEU 77 Ca 0.00 -0.82 0.12 0.00 0.84 0.00 0.00 57.88 58.02 3hg9 h LEU 77 Cb 0.00 -0.19 -0.13 0.00 0.37 0.00 0.00 40.66 40.71 3hg9 h LEU 77 CO 0.00 1.37 -0.26 0.00 -0.34 0.00 0.00 178.44 179.21 3hg9 h ALA 78 N 0.26 0.22 0.15 1.25 0.00 -1.91 0.38 119.26 119.60 3hg9 h ALA 78 Ca -0.12 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hg9 h ALA 78 Cb 1.55 0.67 0.00 0.00 0.00 0.00 0.00 17.79 20.01 3hg9 h ALA 78 CO 0.16 -0.54 -0.07 0.00 0.00 0.00 0.00 179.25 178.79 3hg9 h ALA 79 N 1.36 -0.20 -0.10 0.00 0.00 -1.97 -2.34 119.26 116.02 3hg9 h ALA 79 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hg9 h ALA 79 Cb 0.54 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hg9 h ALA 79 CO -0.71 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 178.04 3hg9 h ALA 80 N 0.55 1.95 0.18 0.00 0.00 0.22 -1.44 119.26 120.73 3hg9 h ALA 80 Ca -0.02 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 3hg9 h ALA 80 Cb 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hg9 h ALA 80 CO 0.03 0.04 -1.59 0.28 0.00 0.00 0.00 179.25 178.02 3hg9 h VAL 81 N 0.11 1.12 -0.27 0.00 2.07 -0.24 -3.02 116.25 116.03 3hg9 h VAL 81 Ca 0.04 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.86 3hg9 h VAL 81 Cb 0.01 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3hg9 h VAL 81 CO -0.01 0.84 0.10 -0.78 0.02 0.00 0.00 177.57 177.74 3hg9 h ASP 82 N 0.10 0.38 0.17 0.57 3.58 -1.03 -2.65 116.42 117.54 3hg9 h ASP 82 Ca -0.28 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 56.95 3hg9 h ASP 82 Cb 2.09 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 43.03 3hg9 h ASP 82 CO 0.20 0.46 -0.17 0.71 -2.88 0.00 0.00 179.24 177.56 3hg9 h THR 83 N 0.28 1.12 -0.01 2.25 1.35 -1.36 -2.19 112.91 114.35 3hg9 h THR 83 Ca 0.09 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3hg9 h THR 83 Cb 0.20 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3hg9 h THR 83 CO -0.01 0.16 -0.15 0.61 -0.25 0.00 0.00 175.52 175.89 3hg9 n GLY 84 N -1.05 -0.57 3.75 5.82 0.00 -1.05 -4.39 105.19 107.71 3hg9 n GLY 84 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3hg9 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hg9 s THR 85 N -2.36 3.38 0.00 2.61 -4.23 -0.82 -4.96 115.64 109.25 3hg9 s THR 85 Ca 0.29 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3hg9 s THR 85 Cb 0.20 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.99 3hg9 s THR 85 CO 0.46 -0.24 0.00 -0.62 -0.54 0.00 0.00 174.62 173.68 3hg9 n GLU 86 N -1.15 0.00 0.00 3.99 1.02 -1.26 -4.16 120.64 119.07 3hg9 n GLU 86 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hg9 n GLU 86 Cb 0.60 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3hg9 n GLU 86 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3hg9 n SER 87 N -0.64 0.00 -3.50 1.62 7.64 -1.26 -4.68 113.62 112.80 3hg9 n SER 87 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hg9 n SER 87 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3hg9 n SER 87 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hg9 s ASP 88 N 0.00 -1.18 0.18 6.43 3.68 -1.26 -2.57 116.67 121.95 3hg9 s ASP 88 Ca 0.00 1.35 0.02 0.00 2.13 0.00 0.00 52.55 56.04 3hg9 s ASP 88 Cb 0.00 2.23 -0.05 0.00 -1.45 0.00 0.00 42.92 43.66 3hg9 s ASP 88 CO 0.00 -0.22 0.01 -0.76 0.13 0.00 0.00 175.17 174.33 3hg9 s LEU 89 N 2.87 2.04 -0.03 -1.34 1.02 -1.07 -4.99 118.68 117.19 3hg9 s LEU 89 Ca 0.01 -1.20 0.01 0.00 0.02 0.00 0.00 54.13 52.98 3hg9 s LEU 89 Cb -0.12 -0.02 0.02 0.00 0.02 0.00 0.00 46.19 46.08 3hg9 s LEU 89 CO -0.19 -0.60 -0.03 -0.69 0.02 0.00 0.00 176.35 174.86 3hg9 s VAL 90 N -3.69 0.39 0.00 -1.59 1.01 -1.26 -0.52 120.40 114.74 3hg9 s VAL 90 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3hg9 s VAL 90 Cb 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3hg9 s VAL 90 CO 0.05 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3hg9 n GLY 91 N 3.71 2.13 3.08 4.51 0.00 -0.56 -4.46 105.19 113.61 3hg9 n GLY 91 Ca -0.22 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3hg9 n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hg9 s VAL 92 N 0.16 0.85 -0.40 1.61 -7.23 -0.67 -1.11 120.40 113.62 3hg9 s VAL 92 Ca 0.00 -0.80 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 3hg9 s VAL 92 Cb 0.00 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 3hg9 s VAL 92 CO 0.00 -0.00 1.76 -0.60 -0.31 0.00 0.00 175.10 175.95 3hg9 s ARG 93 N -0.90 3.22 -0.30 4.82 6.06 -1.08 -1.32 118.95 129.45 3hg9 s ARG 93 Ca 0.00 1.20 -0.07 0.00 -2.50 0.00 0.00 55.73 54.37 3hg9 s ARG 93 Cb -0.07 -4.21 0.19 0.00 0.06 0.00 0.00 34.95 30.92 3hg9 s ARG 93 CO 0.01 -2.00 0.90 0.50 -2.50 0.00 0.00 175.30 172.21 3hg9 s ARG 94 N 5.85 0.28 -0.16 5.12 6.06 -0.55 0.70 118.95 136.25 3hg9 s ARG 94 Ca 0.75 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 54.32 3hg9 s ARG 94 Cb -0.19 0.17 0.02 0.00 0.06 0.00 0.00 34.95 35.01 3hg9 s ARG 94 CO 0.31 -0.47 -0.14 1.21 -2.50 0.00 0.00 175.30 173.70 3hg9 s ASN 95 N 2.92 2.80 0.00 -2.12 3.84 -1.26 -4.36 114.94 116.76 3hg9 s ASN 95 Ca 0.17 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.70 3hg9 s ASN 95 Cb -0.06 -1.21 0.00 0.00 -0.55 0.00 0.00 41.25 39.42 3hg9 s ASN 95 CO -0.21 -0.06 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 3hg9 n GLY 96 N 4.75 2.95 3.89 1.21 0.00 -1.26 -4.98 105.19 111.75 3hg9 n GLY 96 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3hg9 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hg9 s GLN 97 N -0.01 3.31 -0.12 1.61 -0.21 -1.26 -4.17 119.66 118.82 3hg9 s GLN 97 Ca 0.00 -0.51 -0.22 0.00 0.02 0.00 0.00 55.36 54.65 3hg9 s GLN 97 Cb 0.00 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 3hg9 s GLN 97 CO 0.00 0.59 0.64 -1.17 -2.12 0.00 0.00 175.29 173.23 3hg9 s LEU 98 N -2.53 4.25 -0.33 2.90 2.96 0.19 -1.48 118.68 124.64 3hg9 s LEU 98 Ca 0.34 1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 55.16 3hg9 s LEU 98 Cb -0.13 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.62 3hg9 s LEU 98 CO 0.27 -0.15 0.16 -0.69 -1.32 0.00 0.00 176.35 174.62 3hg9 s VAL 99 N 1.12 4.46 -0.05 1.68 1.01 -0.44 -0.15 120.40 128.04 3hg9 s VAL 99 Ca 0.33 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3hg9 s VAL 99 Cb -0.17 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3hg9 s VAL 99 CO 0.14 -0.06 -0.10 0.28 0.00 0.00 0.00 175.10 175.36 3hg9 s THR 100 N 1.56 0.95 0.82 3.92 -1.32 -1.20 -1.67 115.64 118.70 3hg9 s THR 100 Ca 0.03 -0.39 -0.12 0.00 -1.21 0.00 0.00 61.69 60.00 3hg9 s THR 100 Cb -0.18 -0.88 0.09 0.00 -1.51 0.00 0.00 72.50 70.02 3hg9 s THR 100 CO 0.06 0.31 1.16 0.00 -2.21 0.00 0.00 174.62 173.94 3hg9 s ARG 101 N 0.59 1.67 0.00 7.08 3.03 -1.26 -2.03 118.95 128.03 3hg9 s ARG 101 Ca -0.11 1.57 0.00 0.00 2.03 0.00 0.00 55.73 59.22 3hg9 s ARG 101 Cb -0.14 -1.80 0.00 0.00 -1.03 0.00 0.00 34.95 31.98 3hg9 s ARG 101 CO 0.02 -2.15 0.00 0.54 -1.13 0.00 0.00 175.30 172.59 3hg9 n ARG 102 N -3.51 0.00 0.00 3.89 1.74 -1.26 -4.62 116.66 112.90 3hg9 n ARG 102 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3hg9 n ARG 102 Cb 0.51 -3.42 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 3hg9 n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hg9 n LEU 103 N 0.00 0.47 0.00 0.55 4.32 -1.02 -5.15 117.00 116.16 3hg9 n LEU 103 Ca 0.00 -0.47 0.15 0.00 -0.02 0.00 0.00 56.01 55.68 3hg9 n LEU 103 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3hg9 n LEU 103 CO 0.00 0.12 -0.20 0.61 -1.22 0.00 0.00 177.39 176.69 3hg9 n GLY 104 N -0.05 -1.51 3.72 -0.72 0.00 -0.86 -4.73 105.19 101.04 3hg9 n GLY 104 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3hg9 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg9 s ALA 105 N -2.02 3.44 -0.13 4.61 0.00 -1.26 -3.24 121.76 123.16 3hg9 s ALA 105 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 3hg9 s ALA 105 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3hg9 s ALA 105 CO 0.00 -0.47 -0.12 0.95 0.00 0.00 0.00 175.76 176.12 3hg9 s THR 106 N 0.97 3.17 -0.96 0.00 -4.23 0.79 -4.96 115.64 110.43 3hg9 s THR 106 Ca 0.60 -0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 3hg9 s THR 106 Cb -0.31 -2.34 0.16 0.00 1.34 0.00 0.00 72.50 71.35 3hg9 s THR 106 CO 0.30 0.52 1.10 0.00 -0.54 0.00 0.00 174.62 176.01 3hg9 s ALA 107 N 0.32 3.69 0.34 3.99 0.00 -1.26 0.57 121.76 129.41 3hg9 s ALA 107 Ca -0.09 -3.04 -0.05 0.00 0.00 0.00 0.00 51.96 48.78 3hg9 s ALA 107 Cb -0.16 -3.93 -0.05 0.00 0.00 0.00 0.00 23.12 18.99 3hg9 s ALA 107 CO 0.05 -2.76 0.61 0.42 0.00 0.00 0.00 175.76 174.08 3hg9 s ILE 108 N 1.78 4.99 -0.85 0.00 1.01 -1.26 -5.00 121.20 121.87 3hg9 s ILE 108 Ca 0.31 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.76 3hg9 s ILE 108 Cb -0.06 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 3hg9 s ILE 108 CO -0.08 -0.47 2.29 0.00 0.00 0.00 0.00 174.94 176.68 3hg9 s ALA 109 N -2.26 0.86 -0.64 9.38 0.00 -1.26 -4.68 121.76 123.16 3hg9 s ALA 109 Ca 0.45 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.13 3hg9 s ALA 109 Cb -0.10 -4.59 0.05 0.00 0.00 0.00 0.00 23.12 18.48 3hg9 s ALA 109 CO 0.33 -5.83 1.04 -0.51 0.00 0.00 0.00 175.76 170.80 3hg9 s LEU 110 N 14.15 3.96 0.43 0.00 1.43 -1.26 -4.96 118.68 132.43 3hg9 s LEU 110 Ca 0.87 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3hg9 s LEU 110 Cb -0.11 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 3hg9 s LEU 110 CO 0.08 -1.47 -0.25 -2.65 0.23 0.00 0.00 176.35 172.28 3hg9 n PRO 111 N 8.07 0.00 -0.31 1.29 -0.02 -1.26 -4.78 135.00 137.99 3hg9 n PRO 111 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3hg9 n PRO 111 Cb 0.47 -0.60 0.15 0.00 -0.02 0.00 0.00 33.50 33.49 3hg9 n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg9 h ALA 112 N -0.25 0.70 0.00 3.55 0.00 -2.05 -3.18 119.26 118.03 3hg9 h ALA 112 Ca -0.26 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hg9 h ALA 112 Cb 0.84 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3hg9 h ALA 112 CO 0.21 -0.43 0.00 -2.30 0.00 0.00 0.00 179.25 176.73 3hg9 n PRO 113 N -5.52 0.00 -2.78 0.00 -0.02 -1.26 -4.77 135.00 120.65 3hg9 n PRO 113 Ca 0.15 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 3hg9 n PRO 113 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 3hg9 n PRO 113 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3hg9 s ILE 114 N -3.00 4.57 0.62 4.25 1.10 -1.20 -5.00 121.20 122.53 3hg9 s ILE 114 Ca 0.10 1.26 -0.17 0.00 -0.51 0.00 0.00 60.65 61.33 3hg9 s ILE 114 Cb 0.14 -4.35 -0.02 0.00 0.15 0.00 0.00 42.46 38.38 3hg9 s ILE 114 CO 0.38 -0.54 1.12 -2.16 -2.11 0.00 0.00 174.94 171.64 3hg9 s PRO 115 N 3.52 2.98 0.35 3.50 0.04 -1.26 -4.94 135.00 139.18 3hg9 s PRO 115 Ca 0.39 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 3hg9 s PRO 115 Cb -0.12 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3hg9 s PRO 115 CO 0.19 -1.12 0.87 0.39 0.04 0.00 0.00 177.00 177.37 3hg9 n GLU 116 N -2.02 1.08 0.00 4.56 1.02 -1.26 -1.86 120.64 122.16 3hg9 n GLU 116 Ca 0.11 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3hg9 n GLU 116 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3hg9 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hg9 n GLY 117 N 1.39 2.87 3.49 0.62 0.00 0.22 -4.93 105.19 108.85 3hg9 n GLY 117 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3hg9 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg9 n ALA 118 N -0.32 -2.12 -2.76 4.61 0.00 -0.78 -4.64 120.51 114.50 3hg9 n ALA 118 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.42 3hg9 n ALA 118 Cb 0.00 -1.92 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 3hg9 n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hg9 s VAL 119 N -2.47 5.38 -0.04 0.00 1.01 -1.26 -2.63 120.40 120.39 3hg9 s VAL 119 Ca 0.61 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3hg9 s VAL 119 Cb -0.21 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hg9 s VAL 119 CO 0.64 0.53 0.04 -0.69 0.00 0.00 0.00 175.10 175.63 3hg9 s VAL 120 N -0.47 -0.00 -0.09 2.92 1.01 -0.27 -5.02 120.40 118.49 3hg9 s VAL 120 Ca 0.15 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3hg9 s VAL 120 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3hg9 s VAL 120 CO 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 175.10 175.31 3hg9 s ALA 121 N 2.00 3.18 0.05 5.51 0.00 -1.26 -1.50 121.76 129.74 3hg9 s ALA 121 Ca 0.03 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3hg9 s ALA 121 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3hg9 s ALA 121 CO -0.03 0.56 -0.11 0.08 0.00 0.00 0.00 175.76 176.26 3hg9 s VAL 122 N -0.77 3.33 -0.08 0.00 1.01 0.33 -4.99 120.40 119.23 3hg9 s VAL 122 Ca 0.12 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3hg9 s VAL 122 Cb -0.11 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.81 3hg9 s VAL 122 CO 0.02 0.27 0.19 -0.75 0.00 0.00 0.00 175.10 174.83 3hg9 s LYS 123 N -1.74 0.18 0.36 2.72 2.20 -1.26 -2.60 119.74 119.60 3hg9 s LYS 123 Ca 0.18 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3hg9 s LYS 123 Cb -0.11 -0.03 0.07 0.00 -1.51 0.00 0.00 37.83 36.25 3hg9 s LYS 123 CO 0.09 -0.10 0.49 0.39 -0.36 0.00 0.00 175.35 175.86 3hg9 n GLU 124 N 3.64 0.08 -3.10 4.03 1.02 -1.06 -5.05 120.64 120.20 3hg9 n GLU 124 Ca -0.20 -1.16 -0.10 0.00 -0.02 0.00 0.00 57.16 55.68 3hg9 n GLU 124 Cb 0.55 -0.38 -0.03 0.00 -0.02 0.00 0.00 31.44 31.56 3hg9 n GLU 124 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hg9 s GLY 125 N -3.78 -0.50 0.00 0.62 0.00 -1.26 -4.83 107.32 97.56 3hg9 s GLY 125 Ca 0.31 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3hg9 s GLY 125 CO 0.21 3.16 0.00 -2.39 0.00 0.00 0.00 173.10 174.07 3hg9 n HIS 126 N 3.46 0.00 0.00 1.90 1.44 -1.26 -5.09 115.22 115.68 3hg9 n HIS 126 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 3hg9 n HIS 126 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 3hg9 n HIS 126 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11