#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh1 s LYS 8 N 0.00 3.55 0.71 1.57 -0.14 -1.26 -3.94 119.74 120.24 3hh1 s LYS 8 Ca 0.00 -0.24 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 3hh1 s LYS 8 Cb 0.00 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.38 3hh1 s LYS 8 CO 0.00 0.35 1.10 0.20 -0.76 0.00 0.00 175.35 176.24 3hh1 s GLY 9 N -3.14 1.63 -0.08 -3.33 0.00 0.14 -4.84 107.32 97.70 3hh1 s GLY 9 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.77 3hh1 s GLY 9 CO 0.29 0.04 -0.02 -1.59 0.00 0.00 0.00 173.10 171.82 3hh1 s THR 10 N -3.35 4.14 -0.49 0.90 2.01 -1.26 -4.33 115.64 113.25 3hh1 s THR 10 Ca 0.58 -0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 3hh1 s THR 10 Cb -0.11 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.71 3hh1 s THR 10 CO 0.52 0.60 0.77 -0.22 -0.69 0.00 0.00 174.62 175.61 3hh1 s LEU 11 N -0.84 4.41 -0.14 4.42 2.96 0.16 -1.54 118.68 128.10 3hh1 s LEU 11 Ca 0.13 -0.42 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 3hh1 s LEU 11 Cb -0.11 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 3hh1 s LEU 11 CO 0.02 -0.99 0.52 -0.31 -1.32 0.00 0.00 176.35 174.27 3hh1 s TYR 12 N 3.27 3.47 -0.33 5.38 2.02 0.10 -0.87 117.35 130.39 3hh1 s TYR 12 Ca 0.25 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.73 3hh1 s TYR 12 Cb -0.14 -2.63 -0.02 0.00 -0.40 0.00 0.00 41.96 38.77 3hh1 s TYR 12 CO 0.18 0.06 0.21 0.08 -1.57 0.00 0.00 175.55 174.51 3hh1 s VAL 13 N 1.03 5.06 -0.14 0.71 1.01 -0.36 0.20 120.40 127.91 3hh1 s VAL 13 Ca 0.27 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3hh1 s VAL 13 Cb -0.16 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3hh1 s VAL 13 CO 0.11 0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.41 3hh1 s VAL 14 N 1.69 1.51 0.37 2.92 1.01 0.18 -1.00 120.40 127.08 3hh1 s VAL 14 Ca 0.06 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 3hh1 s VAL 14 Cb -0.17 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 3hh1 s VAL 14 CO 0.09 0.45 0.90 0.00 0.00 0.00 0.00 175.10 176.54 3hh1 s ALA 15 N 1.39 3.15 -0.09 5.51 0.00 -1.26 -1.89 121.76 128.57 3hh1 s ALA 15 Ca 0.02 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3hh1 s ALA 15 Cb -0.13 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3hh1 s ALA 15 CO -0.08 0.18 -0.03 0.95 0.00 0.00 0.00 175.76 176.78 3hh1 s THR 16 N -1.97 4.04 0.58 0.00 -4.23 -1.23 -4.92 115.64 107.91 3hh1 s THR 16 Ca 0.57 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.58 3hh1 s THR 16 Cb -0.12 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 3hh1 s THR 16 CO 0.17 0.59 1.04 -2.16 -0.54 0.00 0.00 174.62 173.71 3hh1 s PRO 17 N -0.67 3.46 0.51 3.99 0.04 -1.26 -3.45 135.00 137.63 3hh1 s PRO 17 Ca 0.10 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 3hh1 s PRO 17 Cb -0.12 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 3hh1 s PRO 17 CO 0.02 -0.68 1.05 -0.51 0.04 0.00 0.00 177.00 176.92 3hh1 s LEU 18 N -4.54 3.77 0.00 -3.56 1.43 -1.26 -4.74 118.68 109.78 3hh1 s LEU 18 Ca 0.61 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3hh1 s LEU 18 Cb -0.14 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.52 3hh1 s LEU 18 CO 0.38 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.67 3hh1 n GLY 19 N -0.33 3.14 3.63 -3.19 0.00 -1.26 -4.79 105.19 102.39 3hh1 n GLY 19 Ca 0.09 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3hh1 n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hh1 s ASN 20 N -4.00 6.49 0.53 1.61 3.84 -1.26 -4.88 114.94 117.27 3hh1 s ASN 20 Ca 0.00 1.42 0.35 0.00 0.21 0.00 0.00 52.86 54.84 3hh1 s ASN 20 Cb 0.00 -2.54 1.80 0.00 -0.55 0.00 0.00 41.25 39.97 3hh1 s ASN 20 CO 0.00 -1.20 2.07 -0.07 -2.79 0.00 0.00 177.10 175.11 3hh1 h LEU 21 N 11.40 0.00 0.00 3.21 3.38 -1.89 -1.72 115.31 129.70 3hh1 h LEU 21 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hh1 h LEU 21 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hh1 h LEU 21 CO 1.02 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.02 3hh1 n ASP 22 N -2.80 0.00 -4.47 -0.43 8.00 -1.26 -4.87 116.55 110.72 3hh1 n ASP 22 Ca -0.01 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 3hh1 n ASP 22 Cb 0.12 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3hh1 n ASP 22 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hh1 n ASP 23 N -1.33 4.88 -4.33 -2.24 8.00 -0.65 -5.07 116.55 115.81 3hh1 n ASP 23 Ca 0.06 -2.92 -0.19 0.00 0.71 0.00 0.00 54.79 52.44 3hh1 n ASP 23 Cb 0.12 -1.71 -0.10 0.00 -0.02 0.00 0.00 41.12 39.41 3hh1 n ASP 23 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hh1 s THR 25 N 3.66 1.73 0.25 -3.53 -4.23 -1.26 -4.99 115.64 107.27 3hh1 s THR 25 Ca 0.51 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3hh1 s THR 25 Cb 0.04 -1.94 0.18 0.00 1.34 0.00 0.00 72.50 72.12 3hh1 s THR 25 CO 0.05 -0.50 1.84 -0.26 -0.54 0.00 0.00 174.62 175.21 3hh1 h PHE 26 N 2.84 1.07 -0.39 3.99 -1.00 -1.98 -1.88 116.94 119.58 3hh1 h PHE 26 Ca -0.39 -0.06 0.06 0.00 2.81 0.00 0.00 57.97 60.38 3hh1 h PHE 26 Cb 1.21 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 40.40 3hh1 h PHE 26 CO 0.70 0.80 0.10 -0.09 -1.61 0.00 0.00 178.31 178.21 3hh1 h ARG 27 N 1.05 0.23 -0.46 1.51 2.43 -1.98 0.11 114.38 117.26 3hh1 h ARG 27 Ca 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3hh1 h ARG 27 Cb 0.16 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3hh1 h ARG 27 CO -0.03 0.16 0.21 0.00 -1.51 0.00 0.00 179.97 178.80 3hh1 h ALA 28 N 1.28 0.60 -0.14 2.80 0.00 -1.81 -2.20 119.26 119.79 3hh1 h ALA 28 Ca 0.19 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3hh1 h ALA 28 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hh1 h ALA 28 CO -0.22 0.17 -0.56 0.28 0.00 0.00 0.00 179.25 178.92 3hh1 h VAL 29 N 0.60 1.34 -0.79 0.00 2.07 -1.08 -2.51 116.25 115.89 3hh1 h VAL 29 Ca 0.16 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 65.92 3hh1 h VAL 29 Cb 0.14 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3hh1 h VAL 29 CO -0.02 0.56 0.52 0.78 0.02 0.00 0.00 177.57 179.43 3hh1 h ASN 30 N 0.32 0.71 -0.13 0.57 2.35 -0.59 -0.96 115.58 117.85 3hh1 h ASN 30 Ca 0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3hh1 h ASN 30 Cb 1.07 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 3hh1 h ASN 30 CO 0.10 0.44 -0.11 0.71 -1.65 0.00 0.00 177.43 176.92 3hh1 h THR 31 N 0.80 1.22 -0.37 2.81 1.35 -0.94 -0.66 112.91 117.12 3hh1 h THR 31 Ca 0.35 -0.97 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 3hh1 h THR 31 Cb 0.33 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 3hh1 h THR 31 CO -0.13 0.32 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.32 3hh1 h LEU 32 N 0.44 0.71 -1.09 3.87 3.38 -1.16 -2.61 115.31 118.85 3hh1 h LEU 32 Ca 0.08 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3hh1 h LEU 32 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hh1 h LEU 32 CO 0.03 0.89 -0.14 0.03 0.09 0.00 0.00 178.44 179.34 3hh1 h ARG 33 N 0.51 0.49 -0.01 1.13 3.08 -0.65 -2.96 114.38 115.97 3hh1 h ARG 33 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hh1 h ARG 33 Cb 0.57 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hh1 h ARG 33 CO 0.03 0.62 -0.17 0.09 -1.07 0.00 0.00 179.97 179.48 3hh1 n ASN 34 N -4.20 1.41 -4.77 7.04 3.02 -0.31 -4.95 115.26 112.50 3hh1 n ASN 34 Ca 0.00 -1.24 -0.38 0.00 -0.03 0.00 0.00 54.58 52.94 3hh1 n ASN 34 Cb 0.33 0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 3hh1 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hh1 s ALA 35 N -2.28 3.24 0.10 5.41 0.00 -0.99 -4.50 121.76 122.73 3hh1 s ALA 35 Ca 0.29 0.60 0.20 0.00 0.00 0.00 0.00 51.96 53.05 3hh1 s ALA 35 Cb 0.20 -3.21 0.67 0.00 0.00 0.00 0.00 23.12 20.77 3hh1 s ALA 35 CO 0.44 0.11 1.72 0.78 0.00 0.00 0.00 175.76 178.81 3hh1 h GLY 36 N 3.34 0.00 -3.34 0.00 0.00 -1.09 -3.47 103.07 98.51 3hh1 h GLY 36 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3hh1 h GLY 36 CO 0.65 0.00 0.19 0.00 0.00 0.00 0.00 176.54 177.39 3hh1 s ALA 37 N -3.52 -1.64 -0.20 3.60 0.00 -1.25 -4.53 121.76 114.22 3hh1 s ALA 37 Ca 0.01 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 3hh1 s ALA 37 Cb 0.10 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.82 3hh1 s ALA 37 CO 0.68 -0.63 -0.14 0.42 0.00 0.00 0.00 175.76 176.09 3hh1 s ILE 38 N -2.90 2.55 -0.15 0.00 1.01 -0.39 -2.57 121.20 118.74 3hh1 s ILE 38 Ca -0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3hh1 s ILE 38 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hh1 s ILE 38 CO -0.05 0.46 0.35 0.00 0.00 0.00 0.00 174.94 175.69 3hh1 s ALA 39 N 1.35 3.55 0.14 9.38 0.00 0.58 -0.11 121.76 136.65 3hh1 s ALA 39 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3hh1 s ALA 39 Cb -0.14 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3hh1 s ALA 39 CO -0.09 0.03 0.32 0.00 0.00 0.00 0.00 175.76 176.02 3hh1 h GLU 41 N 2.51 0.06 -3.57 0.00 4.81 -1.87 -1.97 114.58 114.55 3hh1 h GLU 41 Ca -0.32 -0.10 -0.62 0.00 -0.13 0.00 0.00 59.36 58.19 3hh1 h GLU 41 Cb 1.23 0.04 -0.40 0.00 0.63 0.00 0.00 28.75 30.25 3hh1 h GLU 41 CO 0.49 0.67 -0.73 0.34 -0.73 0.00 0.00 179.01 179.05 3hh1 s ASP 42 N -6.32 4.09 0.30 1.04 -1.08 -1.26 -4.85 116.67 108.58 3hh1 s ASP 42 Ca -0.08 -2.25 -0.00 0.00 -0.52 0.00 0.00 52.55 49.70 3hh1 s ASP 42 Cb 0.08 -1.17 0.47 0.00 -1.46 0.00 0.00 42.92 40.84 3hh1 s ASP 42 CO 0.82 -0.34 1.88 0.71 0.52 0.00 0.00 175.17 178.76 3hh1 h THR 43 N 5.97 1.21 -0.00 1.71 1.35 -1.99 -1.58 112.91 119.58 3hh1 h THR 43 Ca -0.07 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3hh1 h THR 43 Cb 0.97 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3hh1 h THR 43 CO 0.51 0.26 0.00 -0.09 -0.25 0.00 0.00 175.52 175.95 3hh1 h ARG 44 N 0.81 0.00 -0.40 4.72 2.43 -1.99 0.18 114.38 120.13 3hh1 h ARG 44 Ca 0.19 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3hh1 h ARG 44 Cb 0.18 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hh1 h ARG 44 CO -0.02 0.04 -0.16 0.00 -1.51 0.00 0.00 179.97 178.32 3hh1 h ARG 45 N -0.04 0.75 -0.52 0.20 2.47 -1.96 -1.79 114.38 113.50 3hh1 h ARG 45 Ca 0.00 -0.27 -0.05 0.00 -1.26 0.00 0.00 59.98 58.40 3hh1 h ARG 45 Cb 0.04 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3hh1 h ARG 45 CO -0.00 0.87 0.13 1.15 0.56 0.00 0.00 179.97 182.68 3hh1 h THR 46 N 0.67 1.24 -0.67 2.04 2.02 -0.92 -1.44 112.91 115.85 3hh1 h THR 46 Ca 0.11 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3hh1 h THR 46 Cb 0.65 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3hh1 h THR 46 CO 0.05 0.31 0.41 0.28 0.37 0.00 0.00 175.52 176.94 3hh1 h SER 47 N 0.73 0.80 -0.63 4.18 0.02 -0.50 -0.94 113.55 117.20 3hh1 h SER 47 Ca 0.16 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3hh1 h SER 47 Cb 0.33 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 3hh1 h SER 47 CO 0.00 0.62 0.40 0.40 -1.14 0.00 0.00 176.83 177.11 3hh1 h ILE 48 N 0.91 1.10 -0.28 3.27 2.04 -1.10 -0.31 117.51 123.14 3hh1 h ILE 48 Ca 0.24 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hh1 h ILE 48 Cb -0.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3hh1 h ILE 48 CO -0.05 0.14 0.18 0.25 0.00 0.00 0.00 178.15 178.68 3hh1 h LEU 49 N 0.79 0.32 -0.55 1.44 5.85 -0.64 -0.95 115.31 121.57 3hh1 h LEU 49 Ca 0.25 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3hh1 h LEU 49 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3hh1 h LEU 49 CO -0.09 0.24 0.17 -0.07 -0.34 0.00 0.00 178.44 178.35 3hh1 h LEU 50 N 0.38 0.80 -0.87 2.25 3.38 -0.91 -2.67 115.31 117.67 3hh1 h LEU 50 Ca 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hh1 h LEU 50 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hh1 h LEU 50 CO -0.02 0.79 0.32 0.50 0.09 0.00 0.00 178.44 180.12 3hh1 h LYS 51 N 0.76 1.15 -0.94 1.13 3.64 -0.86 -0.69 116.57 120.76 3hh1 h LYS 51 Ca 0.18 -0.20 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 3hh1 h LYS 51 Cb 0.28 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3hh1 h LYS 51 CO -0.01 0.92 0.60 1.25 -2.27 0.00 0.00 179.45 179.94 3hh1 h HIS 52 N 1.12 1.00 -0.43 1.91 2.76 -0.83 -1.78 115.15 118.90 3hh1 h HIS 52 Ca 0.26 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3hh1 h HIS 52 Cb 0.19 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.83 3hh1 h HIS 52 CO 0.02 0.41 0.00 1.19 -1.30 0.00 0.00 177.93 178.25 3hh1 n PHE 53 N -4.57 0.56 -1.84 5.26 3.72 -0.91 -4.95 117.46 114.73 3hh1 n PHE 53 Ca 0.17 -0.28 -0.10 0.00 -0.05 0.00 0.00 57.45 57.19 3hh1 n PHE 53 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3hh1 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hh1 n GLY 54 N 1.42 0.42 3.46 1.37 0.00 -0.67 -4.99 105.19 106.20 3hh1 n GLY 54 Ca 0.19 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3hh1 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hh1 s ILE 55 N -2.45 5.04 0.16 -0.61 1.01 -0.35 -5.02 121.20 118.99 3hh1 s ILE 55 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.23 3hh1 s ILE 55 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3hh1 s ILE 55 CO 0.00 -0.56 -0.00 -1.61 0.00 0.00 0.00 174.94 172.77 3hh1 s GLU 56 N 2.21 2.42 0.00 2.79 2.02 -1.26 -4.34 118.70 122.54 3hh1 s GLU 56 Ca 0.12 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.05 3hh1 s GLU 56 Cb -0.19 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3hh1 s GLU 56 CO 0.12 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.28 3hh1 n GLY 57 N 0.02 0.84 3.74 -1.39 0.00 -1.26 -5.03 105.19 102.10 3hh1 n GLY 57 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3hh1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hh1 s LYS 58 N -0.31 4.51 0.05 1.61 -0.14 -1.26 -5.00 119.74 119.20 3hh1 s LYS 58 Ca 0.00 1.85 -0.30 0.00 -1.36 0.00 0.00 55.97 56.15 3hh1 s LYS 58 Cb 0.00 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 3hh1 s LYS 58 CO 0.00 -0.05 1.16 0.50 -0.76 0.00 0.00 175.35 176.20 3hh1 s ARG 59 N -0.30 4.45 -0.16 1.68 3.52 -1.26 -4.95 118.95 121.93 3hh1 s ARG 59 Ca 0.52 1.71 -0.07 0.00 -0.13 0.00 0.00 55.73 57.76 3hh1 s ARG 59 Cb -0.32 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3hh1 s ARG 59 CO 0.37 -0.23 0.09 -0.51 -0.81 0.00 0.00 175.30 174.21 3hh1 s LEU 60 N 1.06 4.04 -0.33 -0.88 1.43 -1.26 -1.27 118.68 121.47 3hh1 s LEU 60 Ca 0.58 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 3hh1 s LEU 60 Cb -0.28 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 43.97 3hh1 s LEU 60 CO 0.29 0.26 0.08 -0.69 0.23 0.00 0.00 176.35 176.53 3hh1 s VAL 61 N -0.17 3.65 0.18 -1.59 1.01 0.84 -4.94 120.40 119.38 3hh1 s VAL 61 Ca 0.09 -1.15 -0.32 0.00 0.00 0.00 0.00 61.98 60.60 3hh1 s VAL 61 Cb -0.12 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 3hh1 s VAL 61 CO 0.01 -0.15 1.66 -0.55 0.00 0.00 0.00 175.10 176.07 3hh1 s SER 62 N 1.38 6.48 -0.46 3.32 0.15 -1.26 -0.89 113.70 122.43 3hh1 s SER 62 Ca -0.02 2.74 0.04 0.00 0.70 0.00 0.00 55.95 59.40 3hh1 s SER 62 Cb -0.19 -2.59 0.51 0.00 -1.71 0.00 0.00 66.02 62.03 3hh1 s SER 62 CO 0.02 -0.91 1.70 0.00 1.20 0.00 0.00 173.24 175.25 3hh1 n TYR 63 N 4.14 2.56 -1.33 3.44 0.18 -0.74 -4.66 117.16 120.75 3hh1 n TYR 63 Ca 0.15 -2.29 -0.35 0.00 1.88 0.00 0.00 57.90 57.29 3hh1 n TYR 63 Cb 0.37 -0.89 0.11 0.00 -0.38 0.00 0.00 39.34 38.55 3hh1 n TYR 63 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 3hh1 n HIS 64 N -0.97 1.50 -0.21 -3.48 8.25 -1.26 -4.72 115.22 114.32 3hh1 n HIS 64 Ca 0.51 0.41 -0.10 0.00 -0.26 0.00 0.00 57.72 58.28 3hh1 n HIS 64 Cb 1.01 -2.16 -0.06 0.00 1.12 0.00 0.00 29.99 29.90 3hh1 n HIS 64 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3hh1 h SER 65 N -0.38 -1.70 -0.47 0.41 0.02 -1.98 -1.87 113.55 107.59 3hh1 h SER 65 Ca -0.48 0.26 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 3hh1 h SER 65 Cb 1.31 0.74 -0.08 0.00 0.14 0.00 0.00 62.40 64.52 3hh1 h SER 65 CO 0.48 -0.35 -0.03 0.15 -1.14 0.00 0.00 176.83 175.95 3hh1 h PHE 66 N -0.25 -0.08 -0.49 3.45 3.57 -2.01 -1.22 116.94 119.90 3hh1 h PHE 66 Ca 0.15 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3hh1 h PHE 66 Cb 0.56 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3hh1 h PHE 66 CO -0.76 -0.13 0.00 0.27 -2.23 0.00 0.00 178.31 175.47 3hh1 n ASN 67 N -5.25 4.04 -0.18 0.41 6.94 -1.06 -4.63 115.26 115.53 3hh1 n ASN 67 Ca 0.04 -2.44 -0.02 0.00 -0.02 0.00 0.00 54.58 52.14 3hh1 n ASN 67 Cb 0.25 -0.54 0.08 0.00 -2.36 0.00 0.00 39.78 37.20 3hh1 n ASN 67 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3hh1 h GLU 68 N 3.17 0.39 -0.73 -3.83 4.57 -0.38 -1.41 114.58 116.37 3hh1 h GLU 68 Ca 0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3hh1 h GLU 68 Cb 1.31 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 3hh1 h GLU 68 CO 0.24 0.26 0.43 0.93 -1.18 0.00 0.00 179.01 179.69 3hh1 h GLU 69 N 0.40 0.78 -0.40 1.92 5.08 -1.82 0.11 114.58 120.66 3hh1 h GLU 69 Ca 0.26 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3hh1 h GLU 69 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hh1 h GLU 69 CO -0.25 0.52 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.12 3hh1 h ARG 70 N 0.80 0.75 -0.76 2.33 2.43 -1.67 -1.75 114.38 116.52 3hh1 h ARG 70 Ca 0.32 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3hh1 h ARG 70 Cb 0.15 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3hh1 h ARG 70 CO -0.16 0.87 0.34 0.00 -1.51 0.00 0.00 179.97 179.50 3hh1 h ALA 71 N 0.86 0.98 -0.16 2.80 0.00 -0.82 -1.47 119.26 121.46 3hh1 h ALA 71 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hh1 h ALA 71 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hh1 h ALA 71 CO 0.03 0.58 0.10 0.28 0.00 0.00 0.00 179.25 180.24 3hh1 h VAL 72 N 1.08 1.04 -0.68 0.00 2.07 -0.64 -1.00 116.25 118.12 3hh1 h VAL 72 Ca 0.26 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.79 3hh1 h VAL 72 Cb 0.16 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3hh1 h VAL 72 CO -0.03 0.04 0.33 -0.09 0.02 0.00 0.00 177.57 177.84 3hh1 h ARG 73 N 0.21 0.55 -0.75 1.57 2.43 -1.08 0.02 114.38 117.33 3hh1 h ARG 73 Ca 0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hh1 h ARG 73 Cb -0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3hh1 h ARG 73 CO -0.01 0.37 0.44 1.96 -1.51 0.00 0.00 179.97 181.21 3hh1 h GLN 74 N 0.57 1.03 -0.13 0.20 4.20 -0.79 -0.87 115.11 119.32 3hh1 h GLN 74 Ca 0.33 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 3hh1 h GLN 74 Cb 0.35 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.93 3hh1 h GLN 74 CO -0.26 0.74 -0.69 0.28 -0.67 0.00 0.00 178.83 178.23 3hh1 h VAL 75 N 1.03 1.31 -0.68 -0.54 2.07 -0.79 -2.48 116.25 116.18 3hh1 h VAL 75 Ca 0.27 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.87 3hh1 h VAL 75 Cb -0.01 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3hh1 h VAL 75 CO -0.05 0.60 0.44 0.40 0.02 0.00 0.00 177.57 178.99 3hh1 h ILE 76 N 0.38 1.14 -0.53 4.57 1.08 -0.85 -1.49 117.51 121.81 3hh1 h ILE 76 Ca -0.05 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3hh1 h ILE 76 Cb 1.33 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 3hh1 h ILE 76 CO 0.14 0.16 0.30 -0.33 -0.69 0.00 0.00 178.15 177.74 3hh1 h GLU 77 N 0.89 0.58 -0.34 2.37 4.39 -1.08 0.63 114.58 122.01 3hh1 h GLU 77 Ca 0.26 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3hh1 h GLU 77 Cb -0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 3hh1 h GLU 77 CO -0.07 0.38 0.13 -0.07 -1.16 0.00 0.00 179.01 178.21 3hh1 h LEU 78 N 0.59 0.47 -0.70 1.33 3.38 -1.15 -1.06 115.31 118.18 3hh1 h LEU 78 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hh1 h LEU 78 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hh1 h LEU 78 CO -0.11 0.52 0.42 -0.07 0.09 0.00 0.00 178.44 179.28 3hh1 h LEU 79 N 0.39 0.85 -1.18 1.67 3.38 -0.94 -1.52 115.31 117.96 3hh1 h LEU 79 Ca 0.11 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3hh1 h LEU 79 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hh1 h LEU 79 CO -0.01 0.67 -0.30 -0.33 0.09 0.00 0.00 178.44 178.56 3hh1 h GLU 80 N 0.96 0.00 0.00 1.13 4.39 -0.78 0.74 114.58 121.01 3hh1 h GLU 80 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3hh1 h GLU 80 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3hh1 h GLU 80 CO -0.05 0.30 0.00 0.39 -1.16 0.00 0.00 179.01 178.49 3hh1 n GLU 81 N -3.58 0.65 -0.02 2.33 1.02 -0.41 -4.88 120.64 115.75 3hh1 n GLU 81 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hh1 n GLU 81 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3hh1 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hh1 n GLY 82 N 1.14 0.87 3.87 0.62 0.00 -0.54 -4.95 105.19 106.22 3hh1 n GLY 82 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3hh1 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hh1 s SER 83 N -2.24 6.44 0.60 1.61 0.01 -0.62 -3.96 113.70 115.54 3hh1 s SER 83 Ca 0.00 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 57.62 3hh1 s SER 83 Cb 0.00 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3hh1 s SER 83 CO 0.00 0.40 1.07 -1.81 0.41 0.00 0.00 173.24 173.31 3hh1 s ASP 84 N -1.02 5.70 -0.03 2.44 1.01 -1.26 -3.49 116.67 120.02 3hh1 s ASP 84 Ca 0.16 1.87 0.04 0.00 0.71 0.00 0.00 52.55 55.32 3hh1 s ASP 84 Cb -0.13 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 3hh1 s ASP 84 CO 0.05 -1.22 -0.14 -0.69 0.21 0.00 0.00 175.17 173.38 3hh1 s VAL 85 N -2.38 1.12 -0.20 -1.27 1.01 -0.59 -0.48 120.40 117.59 3hh1 s VAL 85 Ca 0.65 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 3hh1 s VAL 85 Cb -0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hh1 s VAL 85 CO 0.36 0.33 0.10 0.00 0.00 0.00 0.00 175.10 175.89 3hh1 s ALA 86 N -0.06 3.52 -0.32 5.51 0.00 -1.06 -0.72 121.76 128.62 3hh1 s ALA 86 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 3hh1 s ALA 86 Cb -0.08 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.95 3hh1 s ALA 86 CO 0.01 0.05 0.13 -1.17 0.00 0.00 0.00 175.76 174.78 3hh1 s LEU 87 N 0.59 4.15 -0.22 0.00 0.20 0.13 -0.30 118.68 123.23 3hh1 s LEU 87 Ca 0.06 -0.76 -0.06 0.00 0.69 0.00 0.00 54.13 54.06 3hh1 s LEU 87 Cb -0.12 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 3hh1 s LEU 87 CO 0.01 -0.25 0.04 -0.69 -0.29 0.00 0.00 176.35 175.17 3hh1 s VAL 88 N 1.53 4.26 0.14 1.68 1.01 -0.15 -0.65 120.40 128.23 3hh1 s VAL 88 Ca 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3hh1 s VAL 88 Cb -0.18 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 3hh1 s VAL 88 CO 0.04 0.40 0.39 0.42 0.00 0.00 0.00 175.10 176.36 3hh1 s THR 89 N 1.11 5.14 0.48 3.92 -4.23 -0.79 -4.05 115.64 117.21 3hh1 s THR 89 Ca 0.03 0.11 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 3hh1 s THR 89 Cb -0.14 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 3hh1 s THR 89 CO 0.02 0.05 1.14 0.47 -0.54 0.00 0.00 174.62 175.77 3hh1 n ASP 90 N 0.14 1.80 -4.74 3.99 9.92 -1.26 -3.57 116.55 122.83 3hh1 n ASP 90 Ca -0.03 1.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.81 3hh1 n ASP 90 Cb 0.52 -1.44 -0.01 0.00 -0.64 0.00 0.00 41.12 39.55 3hh1 n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hh1 n ALA 91 N -0.76 2.00 0.00 2.24 0.00 -1.26 -4.65 120.51 118.08 3hh1 n ALA 91 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3hh1 n ALA 91 Cb 0.42 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3hh1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hh1 n GLY 92 N 1.00 4.41 3.08 0.00 0.00 -1.22 -4.90 105.19 107.56 3hh1 n GLY 92 Ca 0.04 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3hh1 n GLY 92 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hh1 s THR 93 N -2.00 -0.49 0.64 2.61 -1.32 -1.26 -3.91 115.64 109.91 3hh1 s THR 93 Ca 0.00 0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 3hh1 s THR 93 Cb 0.00 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 3hh1 s THR 93 CO 0.00 0.09 1.04 -2.16 -2.21 0.00 0.00 174.62 171.38 3hh1 s PRO 94 N 2.48 3.39 -0.23 7.08 0.04 -1.26 -5.15 135.00 141.34 3hh1 s PRO 94 Ca 0.01 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 3hh1 s PRO 94 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3hh1 s PRO 94 CO -0.10 -0.74 0.00 0.00 0.04 0.00 0.00 177.00 176.21 3hh1 s ALA 95 N -3.07 2.95 -0.18 8.56 0.00 -1.25 -5.09 121.76 123.67 3hh1 s ALA 95 Ca 0.57 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 3hh1 s ALA 95 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3hh1 s ALA 95 CO 0.52 -0.47 0.44 0.42 0.00 0.00 0.00 175.76 176.67 3hh1 s ILE 96 N 1.53 5.18 -0.29 0.00 -1.09 -1.26 -5.03 121.20 120.24 3hh1 s ILE 96 Ca 0.06 0.82 0.03 0.00 -2.23 0.00 0.00 60.65 59.33 3hh1 s ILE 96 Cb -0.15 -3.77 0.17 0.00 -1.58 0.00 0.00 42.46 37.13 3hh1 s ILE 96 CO -0.01 0.25 0.46 -0.55 -1.23 0.00 0.00 174.94 173.87 3hh1 s SER 97 N 0.95 -0.18 0.19 3.58 0.15 -1.26 -5.01 113.70 112.12 3hh1 s SER 97 Ca 0.22 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.54 3hh1 s SER 97 Cb -0.15 1.37 0.11 0.00 -1.71 0.00 0.00 66.02 65.64 3hh1 s SER 97 CO 0.09 -0.34 1.85 -0.78 1.20 0.00 0.00 173.24 175.26 3hh1 h ASP 98 N 8.12 0.75 -0.91 5.45 3.58 -1.99 -1.53 116.42 129.88 3hh1 h ASP 98 Ca -0.07 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3hh1 h ASP 98 Cb 1.14 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 3hh1 h ASP 98 CO 0.23 0.56 0.60 -0.65 -2.88 0.00 0.00 179.24 177.11 3hh1 h PRO 99 N 0.87 1.18 -0.40 0.28 0.11 -1.95 -0.82 132.00 131.27 3hh1 h PRO 99 Ca 0.23 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3hh1 h PRO 99 Cb -0.07 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.76 3hh1 h PRO 99 CO -0.05 0.78 0.17 0.78 -0.21 0.00 0.00 178.00 179.48 3hh1 h GLY 100 N 1.22 0.63 0.83 -0.55 0.00 -1.77 -2.73 103.07 100.70 3hh1 h GLY 100 Ca 0.34 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3hh1 h GLY 100 CO -0.08 0.31 0.35 -1.82 0.00 0.00 0.00 176.54 175.30 3hh1 h TYR 101 N 0.50 0.65 0.00 5.60 3.20 -1.00 -1.47 116.97 124.46 3hh1 h TYR 101 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hh1 h TYR 101 Cb 0.16 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hh1 h TYR 101 CO -0.01 0.36 0.00 2.41 -1.64 0.00 0.00 178.16 179.28 3hh1 n THR 102 N -4.77 0.00 0.00 1.81 -1.04 -0.34 -0.14 114.28 109.80 3hh1 n THR 102 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3hh1 n THR 102 Cb 0.10 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3hh1 n THR 102 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hh1 n ALA 104 N 0.50 0.00 -0.28 2.41 0.00 -0.55 -1.57 120.51 121.02 3hh1 n ALA 104 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3hh1 n ALA 104 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3hh1 n ALA 104 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hh1 h SER 105 N 0.00 0.74 -0.65 0.00 0.02 -0.80 -1.44 113.55 111.43 3hh1 h SER 105 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3hh1 h SER 105 Cb 0.00 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3hh1 h SER 105 CO 0.00 0.48 0.20 0.00 -1.14 0.00 0.00 176.83 176.37 3hh1 h ALA 106 N 1.37 0.85 -0.53 3.77 0.00 -1.53 0.46 119.26 123.66 3hh1 h ALA 106 Ca 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hh1 h ALA 106 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hh1 h ALA 106 CO -0.17 0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.77 3hh1 h ALA 107 N 1.08 0.69 -0.58 0.00 0.00 -1.76 -2.29 119.26 116.40 3hh1 h ALA 107 Ca 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hh1 h ALA 107 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hh1 h ALA 107 CO -0.01 0.36 0.16 1.25 0.00 0.00 0.00 179.25 181.02 3hh1 h HIS 108 N 0.73 0.95 -0.18 0.00 6.17 -1.03 -0.91 115.15 120.87 3hh1 h HIS 108 Ca 0.17 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 3hh1 h HIS 108 Cb 0.30 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3hh1 h HIS 108 CO 0.02 0.80 0.08 0.00 0.71 0.00 0.00 177.93 179.53 3hh1 h ALA 109 N 1.04 1.79 -0.00 5.26 0.00 -0.66 -0.53 119.26 126.16 3hh1 h ALA 109 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hh1 h ALA 109 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hh1 h ALA 109 CO -0.00 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.42 3hh1 n ALA 110 N -2.51 2.61 -0.93 0.00 0.00 -0.88 -4.90 120.51 113.90 3hh1 n ALA 110 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hh1 n ALA 110 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3hh1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hh1 n GLY 111 N 1.11 0.43 3.87 0.00 0.00 -0.21 -5.03 105.19 105.36 3hh1 n GLY 111 Ca 0.20 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3hh1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hh1 s LEU 112 N 0.00 4.27 0.15 0.99 1.43 -0.38 -5.01 118.68 120.13 3hh1 s LEU 112 Ca 0.00 0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 53.67 3hh1 s LEU 112 Cb 0.00 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 3hh1 s LEU 112 CO 0.00 0.05 1.48 -2.84 0.23 0.00 0.00 176.35 175.27 3hh1 s PRO 113 N -2.34 4.27 -0.17 1.29 0.02 -1.26 -4.18 135.00 132.63 3hh1 s PRO 113 Ca 0.40 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.66 3hh1 s PRO 113 Cb -0.13 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.22 3hh1 s PRO 113 CO 0.20 -0.52 -0.19 0.08 -0.33 0.00 0.00 177.00 176.25 3hh1 s VAL 114 N 1.05 1.95 -0.19 3.83 1.01 -1.26 -0.67 120.40 126.12 3hh1 s VAL 114 Ca 0.67 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3hh1 s VAL 114 Cb -0.40 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3hh1 s VAL 114 CO 0.31 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 175.16 3hh1 s VAL 115 N 1.29 1.51 0.32 2.92 1.01 -0.05 -4.99 120.40 122.42 3hh1 s VAL 115 Ca 0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 3hh1 s VAL 115 Cb -0.13 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 3hh1 s VAL 115 CO -0.12 0.13 1.12 -2.16 0.00 0.00 0.00 175.10 174.08 3hh1 s PRO 116 N 1.45 4.46 -0.25 2.72 0.04 -1.26 -1.23 135.00 140.92 3hh1 s PRO 116 Ca -0.01 1.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 3hh1 s PRO 116 Cb -0.16 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3hh1 s PRO 116 CO -0.08 0.05 0.13 0.08 0.04 0.00 0.00 177.00 177.22 3hh1 s VAL 117 N -1.28 4.99 0.40 -0.36 1.01 -0.17 -4.87 120.40 120.12 3hh1 s VAL 117 Ca 0.49 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.25 3hh1 s VAL 117 Cb -0.31 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 3hh1 s VAL 117 CO 0.39 0.32 1.37 -2.65 0.00 0.00 0.00 175.10 174.54 3hh1 n PRO 118 N 4.63 2.26 0.00 2.72 -0.02 -1.26 -4.56 135.00 138.77 3hh1 n PRO 118 Ca -0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hh1 n PRO 118 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3hh1 n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89