#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 1.90 0.69 -0.41 0.00 -1.26 -4.57 119.74 116.07 3hh1 s LYS 8 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 55.97 57.10 3hh1 s LYS 8 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 37.83 35.98 3hh1 s LYS 8 CO 0.00 -1.92 1.06 0.20 0.00 0.00 0.00 175.35 174.69 3hh1 s GLY 9 N -3.22 1.72 -0.10 0.59 0.00 -0.45 -4.89 107.32 100.98 3hh1 s GLY 9 Ca 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 45.44 3hh1 s GLY 9 CO 0.57 0.43 0.03 -1.59 0.00 0.00 0.00 173.10 172.54 3hh1 s THR 10 N -2.97 4.52 -0.43 0.90 2.01 -1.26 -4.35 115.64 114.05 3hh1 s THR 10 Ca 0.59 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 3hh1 s THR 10 Cb -0.14 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3hh1 s THR 10 CO 0.53 0.60 0.83 -0.22 -0.69 0.00 0.00 174.62 175.66 3hh1 s LEU 11 N -0.80 4.15 -0.20 4.42 2.96 -0.05 -1.82 118.68 127.35 3hh1 s LEU 11 Ca 0.12 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.93 3hh1 s LEU 11 Cb -0.12 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 3hh1 s LEU 11 CO 0.02 -0.92 0.42 -0.31 -1.32 0.00 0.00 176.35 174.25 3hh1 s TYR 12 N 3.39 3.38 -0.45 5.38 2.02 0.35 -0.26 117.35 131.16 3hh1 s TYR 12 Ca 0.32 0.65 -0.12 0.00 -0.37 0.00 0.00 57.07 57.56 3hh1 s TYR 12 Cb -0.12 -2.55 0.09 0.00 -0.40 0.00 0.00 41.96 38.98 3hh1 s TYR 12 CO 0.23 -0.02 0.33 0.08 -1.57 0.00 0.00 175.55 174.59 3hh1 s VAL 13 N 1.35 4.60 -0.32 0.71 1.01 0.29 0.11 120.40 128.16 3hh1 s VAL 13 Ca 0.20 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 3hh1 s VAL 13 Cb -0.15 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3hh1 s VAL 13 CO 0.08 -0.59 0.13 -0.69 0.00 0.00 0.00 175.10 174.04 3hh1 s VAL 14 N 1.49 4.35 0.19 2.92 1.01 0.18 -0.17 120.40 130.37 3hh1 s VAL 14 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3hh1 s VAL 14 Cb -0.24 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3hh1 s VAL 14 CO 0.03 0.01 1.24 0.00 0.00 0.00 0.00 175.10 176.38 3hh1 s ALA 15 N 1.56 3.47 0.13 5.51 0.00 -0.84 -1.79 121.76 129.80 3hh1 s ALA 15 Ca 0.03 1.01 0.06 0.00 0.00 0.00 0.00 51.96 53.06 3hh1 s ALA 15 Cb -0.17 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3hh1 s ALA 15 CO 0.05 -0.43 -0.02 0.95 0.00 0.00 0.00 175.76 176.30 3hh1 s THR 16 N 0.01 3.74 0.66 0.00 -4.23 -0.11 -4.93 115.64 110.79 3hh1 s THR 16 Ca 0.54 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.66 3hh1 s THR 16 Cb -0.34 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3hh1 s THR 16 CO 0.37 0.01 1.10 -2.84 -0.54 0.00 0.00 174.62 172.72 3hh1 s PRO 17 N -2.59 2.84 0.33 3.99 0.02 -1.26 -4.71 135.00 133.62 3hh1 s PRO 17 Ca 0.26 1.31 0.17 0.00 0.02 0.00 0.00 61.00 62.75 3hh1 s PRO 17 Cb -0.10 -1.96 0.39 0.00 0.02 0.00 0.00 34.50 32.85 3hh1 s PRO 17 CO 0.17 -1.21 1.60 -0.07 -0.33 0.00 0.00 177.00 177.16 3hh1 h LEU 18 N -0.07 0.00 0.00 -5.54 3.38 -1.99 -3.46 115.31 107.64 3hh1 h LEU 18 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hh1 h LEU 18 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hh1 h LEU 18 CO 0.54 0.45 0.00 0.61 0.09 0.00 0.00 178.44 180.13 3hh1 n GLY 19 N 0.70 1.08 3.68 0.83 0.00 -1.26 -5.05 105.19 105.17 3hh1 n GLY 19 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 0.76 7.07 0.56 1.61 3.84 -1.26 -4.92 114.94 122.60 3hh1 s ASN 20 Ca 0.00 1.71 0.27 0.00 0.21 0.00 0.00 52.86 55.05 3hh1 s ASN 20 Cb 0.00 -2.55 1.49 0.00 -0.55 0.00 0.00 41.25 39.64 3hh1 s ASN 20 CO 0.00 -0.60 1.99 -0.07 -2.79 0.00 0.00 177.10 175.62 3hh1 h LEU 21 N 8.57 0.00 0.00 3.21 3.38 -1.96 -1.43 115.31 127.07 3hh1 h LEU 21 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hh1 h LEU 21 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hh1 h LEU 21 CO 0.90 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.90 3hh1 n ASP 22 N -4.03 0.00 -4.27 -0.43 8.00 -1.26 -4.90 116.55 109.66 3hh1 n ASP 22 Ca 0.08 -0.41 -0.40 0.00 0.71 0.00 0.00 54.79 54.76 3hh1 n ASP 22 Cb 0.57 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.12 4.08 -4.27 -2.24 8.00 -0.54 -5.08 116.55 115.38 3hh1 n ASP 23 Ca 0.14 -2.83 -0.15 0.00 0.71 0.00 0.00 54.79 52.66 3hh1 n ASP 23 Cb 0.12 -1.66 -0.10 0.00 -0.02 0.00 0.00 41.12 39.46 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 5.32 1.26 0.19 -3.53 -4.23 -1.26 -4.95 115.64 108.44 3hh1 s THR 25 Ca 0.55 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 58.89 3hh1 s THR 25 Cb 0.07 -1.89 0.10 0.00 1.34 0.00 0.00 72.50 72.12 3hh1 s THR 25 CO 0.05 -0.72 1.70 -0.26 -0.54 0.00 0.00 174.62 174.85 3hh1 h PHE 26 N 2.74 1.18 -0.53 3.99 -1.00 -1.99 -1.43 116.94 119.90 3hh1 h PHE 26 Ca -0.37 -0.16 0.10 0.00 2.81 0.00 0.00 57.97 60.35 3hh1 h PHE 26 Cb 1.20 -0.33 -0.08 0.00 3.61 0.00 0.00 35.95 40.35 3hh1 h PHE 26 CO 0.66 0.98 0.07 -0.09 -1.61 0.00 0.00 178.31 178.32 3hh1 h ARG 27 N 1.04 0.19 -0.42 1.51 2.43 -2.03 0.20 114.38 117.30 3hh1 h ARG 27 Ca 0.21 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3hh1 h ARG 27 Cb 0.42 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3hh1 h ARG 27 CO 0.01 0.13 0.09 0.00 -1.51 0.00 0.00 179.97 178.69 3hh1 h ALA 28 N 1.44 0.56 -0.23 2.80 0.00 -1.84 -2.18 119.26 119.81 3hh1 h ALA 28 Ca 0.27 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hh1 h ALA 28 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hh1 h ALA 28 CO -0.38 0.25 -0.38 0.28 0.00 0.00 0.00 179.25 179.02 3hh1 h VAL 29 N 0.55 1.30 -0.39 0.00 2.07 -0.93 -2.74 116.25 116.11 3hh1 h VAL 29 Ca 0.13 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3hh1 h VAL 29 Cb 0.34 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hh1 h VAL 29 CO 0.00 0.48 0.22 0.78 0.02 0.00 0.00 177.57 179.08 3hh1 h ASN 30 N 0.44 0.46 -0.68 0.57 2.35 -0.40 -0.45 115.58 117.88 3hh1 h ASN 30 Ca 0.04 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3hh1 h ASN 30 Cb 0.86 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 3hh1 h ASN 30 CO 0.07 0.37 0.45 0.74 -1.65 0.00 0.00 177.43 177.41 3hh1 h THR 31 N 0.53 1.17 -0.43 2.81 2.02 -1.09 -0.49 112.91 117.43 3hh1 h THR 31 Ca 0.14 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3hh1 h THR 31 Cb -0.00 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3hh1 h THR 31 CO -0.03 0.17 0.22 -0.07 0.37 0.00 0.00 175.52 176.19 3hh1 h LEU 32 N 0.92 0.55 -1.56 2.58 3.38 -1.23 -2.66 115.31 117.28 3hh1 h LEU 32 Ca 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hh1 h LEU 32 Cb -0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hh1 h LEU 32 CO -0.06 0.50 0.06 0.03 0.09 0.00 0.00 178.44 179.06 3hh1 h ARG 33 N 0.56 0.34 -0.05 1.13 3.08 -0.53 -2.69 114.38 116.23 3hh1 h ARG 33 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hh1 h ARG 33 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hh1 h ARG 33 CO -0.02 0.32 0.00 0.09 -1.07 0.00 0.00 179.97 179.29 3hh1 n ASN 34 N -4.40 2.07 -4.82 7.04 3.02 -0.25 -4.96 115.26 112.96 3hh1 n ASN 34 Ca 0.01 -1.69 -0.34 0.00 -0.03 0.00 0.00 54.58 52.52 3hh1 n ASN 34 Cb 0.15 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.96 3.21 -0.05 5.41 0.00 -1.01 -4.79 121.76 122.56 3hh1 s ALA 35 Ca 0.34 0.30 0.16 0.00 0.00 0.00 0.00 51.96 52.76 3hh1 s ALA 35 Cb 0.20 -3.01 0.22 0.00 0.00 0.00 0.00 23.12 20.54 3hh1 s ALA 35 CO 0.32 0.22 1.52 0.78 0.00 0.00 0.00 175.76 178.60 3hh1 h GLY 36 N 2.55 0.00 -3.21 0.00 0.00 -1.07 -3.47 103.07 97.88 3hh1 h GLY 36 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3hh1 h GLY 36 CO 0.64 0.00 0.05 0.00 0.00 0.00 0.00 176.54 177.23 3hh1 s ALA 37 N -3.12 -1.26 -0.15 3.60 0.00 -1.24 -4.36 121.76 115.23 3hh1 s ALA 37 Ca 0.03 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.31 3hh1 s ALA 37 Cb 0.09 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.89 3hh1 s ALA 37 CO 0.73 -0.65 -0.20 0.42 0.00 0.00 0.00 175.76 176.06 3hh1 s ILE 38 N -3.41 2.00 -0.15 0.00 1.01 0.29 -1.94 121.20 118.99 3hh1 s ILE 38 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 3hh1 s ILE 38 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3hh1 s ILE 38 CO -0.09 0.53 0.14 0.00 0.00 0.00 0.00 174.94 175.52 3hh1 s ALA 39 N 1.04 3.79 0.10 9.38 0.00 -0.21 -0.51 121.76 135.36 3hh1 s ALA 39 Ca -0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 3hh1 s ALA 39 Cb -0.14 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.94 3hh1 s ALA 39 CO -0.07 0.42 0.40 0.00 0.00 0.00 0.00 175.76 176.51 3hh1 h GLU 41 N 2.54 -0.45 -4.19 0.00 4.39 -1.78 0.47 114.58 115.55 3hh1 h GLU 41 Ca -0.33 0.03 -0.75 0.00 0.34 0.00 0.00 59.36 58.65 3hh1 h GLU 41 Cb 1.24 0.10 -0.25 0.00 -0.10 0.00 0.00 28.75 29.75 3hh1 h GLU 41 CO 0.46 -0.20 -0.28 0.34 -1.16 0.00 0.00 179.01 178.17 3hh1 s ASP 42 N -5.06 6.08 0.14 1.42 -1.08 -1.26 -4.49 116.67 112.42 3hh1 s ASP 42 Ca -0.10 -1.69 -0.14 0.00 -0.52 0.00 0.00 52.55 50.10 3hh1 s ASP 42 Cb 0.01 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 3hh1 s ASP 42 CO 0.32 -0.77 1.61 0.00 0.52 0.00 0.00 175.17 176.84 3hh1 h THR 43 N 5.91 1.25 -0.81 1.71 1.03 -1.97 -2.47 112.91 117.55 3hh1 h THR 43 Ca -0.28 -0.94 -0.02 0.00 -0.01 0.00 0.00 66.41 65.16 3hh1 h THR 43 Cb 1.10 1.00 -0.04 0.00 -1.07 0.00 0.00 68.15 69.14 3hh1 h THR 43 CO 0.96 0.33 0.44 -0.09 -0.01 0.00 0.00 175.52 177.15 3hh1 h ARG 44 N 0.60 1.13 -0.21 0.00 2.43 -1.99 0.29 114.38 116.63 3hh1 h ARG 44 Ca 0.13 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3hh1 h ARG 44 Cb 0.42 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hh1 h ARG 44 CO 0.01 0.83 -0.50 -0.09 -1.51 0.00 0.00 179.97 178.71 3hh1 h ARG 45 N 1.12 0.59 -0.27 0.20 2.43 -1.99 -1.94 114.38 114.51 3hh1 h ARG 45 Ca 0.28 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3hh1 h ARG 45 Cb 0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3hh1 h ARG 45 CO -0.05 0.95 -0.29 1.15 -1.51 0.00 0.00 179.97 180.22 3hh1 h THR 46 N 0.46 1.28 -0.49 0.20 2.02 -0.99 -2.21 112.91 113.18 3hh1 h THR 46 Ca 0.02 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.72 3hh1 h THR 46 Cb 1.04 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3hh1 h THR 46 CO 0.10 0.44 -0.12 0.28 0.37 0.00 0.00 175.52 176.58 3hh1 h SER 47 N 0.47 0.95 -0.65 4.18 0.02 -0.80 -1.18 113.55 116.54 3hh1 h SER 47 Ca 0.06 -0.36 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3hh1 h SER 47 Cb 0.75 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 3hh1 h SER 47 CO 0.06 1.10 0.38 0.40 -1.14 0.00 0.00 176.83 177.63 3hh1 h ILE 48 N 0.80 1.03 0.05 3.27 2.04 -1.19 -1.32 117.51 122.19 3hh1 h ILE 48 Ca 0.12 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hh1 h ILE 48 Cb 0.68 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3hh1 h ILE 48 CO 0.05 0.13 -0.10 0.25 0.00 0.00 0.00 178.15 178.49 3hh1 h LEU 49 N 0.73 -0.26 -0.91 1.44 6.46 -1.22 -0.45 115.31 121.11 3hh1 h LEU 49 Ca 0.27 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3hh1 h LEU 49 Cb 0.09 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 3hh1 h LEU 49 CO -0.14 -0.14 0.32 -0.07 -0.62 0.00 0.00 178.44 177.79 3hh1 h LEU 50 N -0.19 1.02 -0.82 2.25 3.38 -0.88 -1.66 115.31 118.41 3hh1 h LEU 50 Ca 0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3hh1 h LEU 50 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hh1 h LEU 50 CO -0.06 0.89 -0.06 0.50 0.09 0.00 0.00 178.44 179.80 3hh1 h LYS 51 N 1.09 0.82 -0.97 1.13 3.64 -1.11 -0.60 116.57 120.57 3hh1 h LYS 51 Ca 0.26 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3hh1 h LYS 51 Cb 0.18 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 3hh1 h LYS 51 CO -0.02 0.86 0.63 1.25 -2.27 0.00 0.00 179.45 179.90 3hh1 h HIS 52 N 0.75 1.16 -0.21 1.91 2.76 -0.12 -2.31 115.15 119.08 3hh1 h HIS 52 Ca 0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3hh1 h HIS 52 Cb 0.54 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3hh1 h HIS 52 CO 0.03 0.61 0.00 1.19 -1.30 0.00 0.00 177.93 178.46 3hh1 n PHE 53 N -4.49 0.27 -1.28 5.26 3.72 -1.04 -4.95 117.46 114.95 3hh1 n PHE 53 Ca 0.15 -0.13 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 3hh1 n PHE 53 Cb 0.18 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.27 0.61 3.48 1.37 0.00 -0.79 -5.00 105.19 106.13 3hh1 n GLY 54 Ca 0.17 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.16 5.04 0.14 -0.61 1.01 -0.30 -5.01 121.20 119.31 3hh1 s ILE 55 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 60.65 60.41 3hh1 s ILE 55 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3hh1 s ILE 55 CO 0.00 -0.49 -0.19 -1.61 0.00 0.00 0.00 174.94 172.65 3hh1 s GLU 56 N 2.24 1.71 0.00 2.79 2.02 -1.26 -4.40 118.70 121.80 3hh1 s GLU 56 Ca 0.13 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.86 3hh1 s GLU 56 Cb -0.17 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3hh1 s GLU 56 CO 0.14 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.29 3hh1 n GLY 57 N 0.67 0.81 3.74 -1.39 0.00 -1.26 -5.04 105.19 102.72 3hh1 n GLY 57 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.65 4.55 0.14 1.61 -0.14 -1.26 -4.99 119.74 118.98 3hh1 s LYS 58 Ca 0.00 1.80 -0.31 0.00 -1.36 0.00 0.00 55.97 56.09 3hh1 s LYS 58 Cb 0.00 -3.26 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 3hh1 s LYS 58 CO 0.00 0.00 1.47 0.50 -0.76 0.00 0.00 175.35 176.56 3hh1 s ARG 59 N -0.35 4.27 -0.01 1.68 3.52 -1.26 -4.92 118.95 121.88 3hh1 s ARG 59 Ca 0.51 2.20 -0.03 0.00 -0.13 0.00 0.00 55.73 58.29 3hh1 s ARG 59 Cb -0.31 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3hh1 s ARG 59 CO 0.36 -0.51 0.16 -0.51 -0.81 0.00 0.00 175.30 173.99 3hh1 s LEU 60 N 1.12 4.28 -0.14 -0.88 1.43 -1.26 -0.55 118.68 122.68 3hh1 s LEU 60 Ca 0.67 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 3hh1 s LEU 60 Cb -0.40 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.32 3hh1 s LEU 60 CO 0.31 0.27 -0.15 -0.69 0.23 0.00 0.00 176.35 176.32 3hh1 s VAL 61 N -1.28 1.62 -0.21 -1.59 1.01 0.33 -4.89 120.40 115.38 3hh1 s VAL 61 Ca 0.26 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3hh1 s VAL 61 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3hh1 s VAL 61 CO 0.17 0.47 0.25 -0.94 0.00 0.00 0.00 175.10 175.04 3hh1 s SER 62 N 1.28 6.27 -1.16 3.32 1.04 -1.26 -1.16 113.70 122.02 3hh1 s SER 62 Ca 0.01 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.62 3hh1 s SER 62 Cb -0.14 -2.15 0.22 0.00 0.10 0.00 0.00 66.02 64.05 3hh1 s SER 62 CO -0.07 0.04 1.29 -0.31 0.98 0.00 0.00 173.24 175.16 3hh1 s TYR 63 N 0.98 3.85 -0.00 5.02 4.12 0.15 -4.49 117.35 126.98 3hh1 s TYR 63 Ca 0.12 -2.39 -0.01 0.00 0.02 0.00 0.00 57.07 54.82 3hh1 s TYR 63 Cb -0.14 -4.10 -0.00 0.00 -1.52 0.00 0.00 41.96 36.20 3hh1 s TYR 63 CO 0.05 -1.19 -0.02 1.58 0.02 0.00 0.00 175.55 175.99 3hh1 n HIS 64 N 4.31 0.00 0.00 2.71 -0.00 -1.26 -4.47 115.22 116.51 3hh1 n HIS 64 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 3hh1 n HIS 64 Cb 0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 3hh1 n HIS 64 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3hh1 n PHE 66 N -3.09 0.00 -0.71 1.57 1.16 -1.26 -3.89 117.46 111.24 3hh1 n PHE 66 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.38 3hh1 n PHE 66 Cb 0.48 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.42 3hh1 n PHE 66 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3hh1 n ASN 67 N -0.37 5.46 -0.10 5.98 5.15 -1.26 -4.52 115.26 125.60 3hh1 n ASN 67 Ca 0.00 -3.10 -0.23 0.00 -0.60 0.00 0.00 54.58 50.65 3hh1 n ASN 67 Cb 0.07 -0.91 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 3hh1 n ASN 67 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hh1 n GLU 68 N -0.11 0.59 -0.35 1.20 4.71 -1.25 -3.87 120.64 121.56 3hh1 n GLU 68 Ca 0.36 0.48 0.10 0.00 -0.01 0.00 0.00 57.16 58.08 3hh1 n GLU 68 Cb 0.82 -1.69 0.28 0.00 -1.01 0.00 0.00 31.44 29.84 3hh1 n GLU 68 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 3hh1 h GLU 69 N -0.87 0.86 -0.83 3.49 -0.00 -1.96 -1.34 114.58 113.94 3hh1 h GLU 69 Ca -0.43 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3hh1 h GLU 69 Cb 1.45 -0.19 -0.04 0.00 -0.00 0.00 0.00 28.75 29.97 3hh1 h GLU 69 CO -0.22 0.57 0.51 -0.09 -0.00 0.00 0.00 179.01 179.79 3hh1 h ARG 70 N 0.89 1.12 -0.27 1.06 2.43 -1.89 -1.79 114.38 115.93 3hh1 h ARG 70 Ca 0.52 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.50 3hh1 h ARG 70 Cb 0.66 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hh1 h ARG 70 CO -0.30 0.78 -0.22 0.00 -1.51 0.00 0.00 179.97 178.71 3hh1 h ALA 71 N 1.42 0.39 -0.36 2.80 0.00 -1.38 -2.43 119.26 119.70 3hh1 h ALA 71 Ca 0.30 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hh1 h ALA 71 Cb -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3hh1 h ALA 71 CO -0.06 0.35 0.14 0.28 0.00 0.00 0.00 179.25 179.96 3hh1 h VAL 72 N 0.35 0.93 -0.65 0.00 2.07 -1.01 -1.82 116.25 116.12 3hh1 h VAL 72 Ca 0.05 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3hh1 h VAL 72 Cb 0.77 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3hh1 h VAL 72 CO 0.06 0.06 0.25 0.03 0.02 0.00 0.00 177.57 177.98 3hh1 h ARG 73 N 0.31 0.96 -0.88 1.57 3.08 -1.35 -1.01 114.38 117.05 3hh1 h ARG 73 Ca 0.16 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hh1 h ARG 73 Cb 0.11 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3hh1 h ARG 73 CO -0.15 0.79 0.48 1.96 -1.07 0.00 0.00 179.97 181.98 3hh1 h GLN 74 N 0.94 1.23 -0.13 0.04 4.20 -1.02 -0.12 115.11 120.25 3hh1 h GLN 74 Ca 0.22 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3hh1 h GLN 74 Cb 0.20 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3hh1 h GLN 74 CO -0.02 0.90 -0.01 0.28 -0.67 0.00 0.00 178.83 179.32 3hh1 h VAL 75 N 1.23 1.26 -0.56 -0.54 2.07 -0.96 -2.38 116.25 116.37 3hh1 h VAL 75 Ca 0.31 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hh1 h VAL 75 Cb 0.03 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3hh1 h VAL 75 CO -0.05 0.25 0.35 0.40 0.02 0.00 0.00 177.57 178.54 3hh1 h ILE 76 N -0.05 1.09 -0.41 4.57 1.08 -1.06 -0.87 117.51 121.86 3hh1 h ILE 76 Ca 0.03 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 3hh1 h ILE 76 Cb 0.38 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.37 3hh1 h ILE 76 CO 0.01 0.13 -0.19 -0.08 -0.69 0.00 0.00 178.15 177.32 3hh1 h GLU 77 N 0.70 -0.11 -0.54 2.37 4.81 -0.98 0.33 114.58 121.16 3hh1 h GLU 77 Ca 0.22 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3hh1 h GLU 77 Cb -0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3hh1 h GLU 77 CO -0.08 -0.07 0.21 -0.07 -0.73 0.00 0.00 179.01 178.27 3hh1 h LEU 78 N -0.11 0.76 -0.52 1.64 3.38 -0.87 -0.83 115.31 118.76 3hh1 h LEU 78 Ca 0.20 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hh1 h LEU 78 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hh1 h LEU 78 CO -0.48 0.73 0.04 -0.07 0.09 0.00 0.00 178.44 178.75 3hh1 h LEU 79 N 0.74 0.85 -1.56 1.67 3.38 -0.69 -0.57 115.31 119.14 3hh1 h LEU 79 Ca 0.18 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hh1 h LEU 79 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hh1 h LEU 79 CO -0.01 0.93 -0.19 -0.33 0.09 0.00 0.00 178.44 178.92 3hh1 h GLU 80 N 0.75 0.04 0.00 1.13 4.39 -0.06 -0.56 114.58 120.27 3hh1 h GLU 80 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3hh1 h GLU 80 Cb 0.46 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hh1 h GLU 80 CO 0.02 0.23 0.00 0.39 -1.16 0.00 0.00 179.01 178.49 3hh1 n GLU 81 N -4.29 0.51 -0.23 2.33 1.02 -0.34 -4.87 120.64 114.76 3hh1 n GLU 81 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hh1 n GLU 81 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.92 0.88 3.86 0.62 0.00 -0.35 -4.93 105.19 106.18 3hh1 n GLY 82 Ca 0.15 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 6.40 0.35 1.61 0.01 -0.27 -4.12 113.70 115.67 3hh1 s SER 83 Ca 0.00 0.47 -0.26 0.00 1.31 0.00 0.00 55.95 57.48 3hh1 s SER 83 Cb 0.00 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 3hh1 s SER 83 CO 0.00 0.37 1.00 -1.81 0.41 0.00 0.00 173.24 173.21 3hh1 s ASP 84 N -0.83 7.11 -0.04 2.44 1.01 -1.26 -3.59 116.67 121.51 3hh1 s ASP 84 Ca 0.15 1.96 0.06 0.00 0.71 0.00 0.00 52.55 55.43 3hh1 s ASP 84 Cb -0.12 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3hh1 s ASP 84 CO 0.04 -0.24 -0.23 -0.69 0.21 0.00 0.00 175.17 174.26 3hh1 s VAL 85 N -1.59 1.86 -0.26 -1.27 1.01 -0.76 -0.41 120.40 118.98 3hh1 s VAL 85 Ca 0.52 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3hh1 s VAL 85 Cb -0.21 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3hh1 s VAL 85 CO 0.27 0.52 0.10 0.00 0.00 0.00 0.00 175.10 176.00 3hh1 s ALA 86 N -0.33 3.24 -0.36 5.51 0.00 -0.82 -0.50 121.76 128.51 3hh1 s ALA 86 Ca 0.03 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 3hh1 s ALA 86 Cb -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.82 3hh1 s ALA 86 CO 0.01 -0.57 0.58 -1.17 0.00 0.00 0.00 175.76 174.62 3hh1 s LEU 87 N 1.64 4.31 -0.12 0.00 2.96 0.30 -1.04 118.68 126.72 3hh1 s LEU 87 Ca 0.06 0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 53.81 3hh1 s LEU 87 Cb -0.16 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3hh1 s LEU 87 CO 0.05 -0.55 0.66 -0.69 -1.32 0.00 0.00 176.35 174.50 3hh1 s VAL 88 N 2.58 5.04 0.19 1.68 1.01 -0.46 0.48 120.40 130.92 3hh1 s VAL 88 Ca 0.22 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.55 3hh1 s VAL 88 Cb -0.15 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3hh1 s VAL 88 CO 0.14 0.20 -0.02 0.42 0.00 0.00 0.00 175.10 175.84 3hh1 s THR 89 N 1.23 0.93 0.25 3.92 -4.23 -0.74 -4.47 115.64 112.54 3hh1 s THR 89 Ca 0.33 -2.02 0.30 0.00 -1.18 0.00 0.00 61.69 59.12 3hh1 s THR 89 Cb -0.17 -2.17 0.32 0.00 1.34 0.00 0.00 72.50 71.82 3hh1 s THR 89 CO 0.14 -0.46 1.99 -0.78 -0.54 0.00 0.00 174.62 174.98 3hh1 h ASP 90 N 2.61 0.00 0.00 3.99 3.58 -1.86 -0.28 116.42 124.46 3hh1 h ASP 90 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 3hh1 h ASP 90 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3hh1 h ASP 90 CO 0.64 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 3hh1 n GLY 100 N -0.23 -1.36 0.06 -0.78 0.00 -1.26 -4.59 105.19 97.03 3hh1 n GLY 100 Ca -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 3hh1 n GLY 100 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hh1 h TYR 101 N 0.00 0.05 0.00 1.61 -1.99 -2.05 -1.16 116.97 113.44 3hh1 h TYR 101 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3hh1 h TYR 101 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3hh1 h TYR 101 CO 0.00 0.14 0.00 2.41 -0.00 0.00 0.00 178.16 180.71 3hh1 n THR 102 N -5.01 0.00 0.00 -2.88 -1.04 -1.26 -1.02 114.28 103.08 3hh1 n THR 102 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hh1 n THR 102 Cb 0.08 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 -0.16 0.00 -0.02 2.41 0.00 -0.44 -1.36 120.51 120.94 3hh1 n ALA 104 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hh1 n ALA 104 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.14 -0.82 0.00 0.02 -1.30 -0.90 113.55 110.69 3hh1 h SER 105 Ca 0.00 -0.31 0.08 0.00 -0.84 0.00 0.00 61.79 60.72 3hh1 h SER 105 Cb 0.00 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 3hh1 h SER 105 CO 0.00 0.42 0.48 0.00 -1.14 0.00 0.00 176.83 176.59 3hh1 h ALA 106 N 0.73 1.15 -0.20 3.77 0.00 -1.44 -1.00 119.26 122.27 3hh1 h ALA 106 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hh1 h ALA 106 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hh1 h ALA 106 CO 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.33 3hh1 h ALA 107 N 1.43 0.27 -0.36 0.00 0.00 -1.79 -2.23 119.26 116.59 3hh1 h ALA 107 Ca 0.38 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hh1 h ALA 107 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hh1 h ALA 107 CO -0.22 0.07 -0.06 1.25 0.00 0.00 0.00 179.25 180.29 3hh1 h HIS 108 N 0.10 0.63 -0.19 0.00 6.17 -0.98 -0.30 115.15 120.58 3hh1 h HIS 108 Ca 0.05 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 60.96 3hh1 h HIS 108 Cb 0.53 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.27 3hh1 h HIS 108 CO 0.06 0.64 -0.24 0.00 0.71 0.00 0.00 177.93 179.10 3hh1 h ALA 109 N 1.39 1.25 -0.00 5.26 0.00 -1.10 -2.56 119.26 123.49 3hh1 h ALA 109 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hh1 h ALA 109 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hh1 h ALA 109 CO 0.02 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 3hh1 n ALA 110 N -2.48 2.66 -0.77 0.00 0.00 -0.85 -4.91 120.51 114.15 3hh1 n ALA 110 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3hh1 n ALA 110 Cb 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.14 0.54 3.81 0.00 0.00 -0.88 -5.05 105.19 104.74 3hh1 n GLY 111 Ca 0.19 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 4.33 0.30 0.99 1.43 -0.18 -5.01 118.68 120.55 3hh1 s LEU 112 Ca 0.00 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 3hh1 s LEU 112 Cb 0.00 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 3hh1 s LEU 112 CO 0.00 0.28 1.44 -2.16 0.23 0.00 0.00 176.35 176.14 3hh1 s PRO 113 N -0.41 4.24 -0.14 1.29 0.04 -1.26 -4.01 135.00 134.74 3hh1 s PRO 113 Ca 0.15 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.59 3hh1 s PRO 113 Cb -0.13 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.37 3hh1 s PRO 113 CO 0.04 -0.42 -0.21 0.08 0.04 0.00 0.00 177.00 176.54 3hh1 s VAL 114 N -0.52 2.01 -0.22 -0.36 1.01 -1.26 -0.87 120.40 120.19 3hh1 s VAL 114 Ca 0.56 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3hh1 s VAL 114 Cb -0.43 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3hh1 s VAL 114 CO 0.50 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 175.32 3hh1 s VAL 115 N 0.93 1.95 0.34 2.92 1.01 0.65 -4.98 120.40 123.21 3hh1 s VAL 115 Ca -0.05 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 60.45 3hh1 s VAL 115 Cb -0.15 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 3hh1 s VAL 115 CO -0.04 0.20 1.12 -2.16 0.00 0.00 0.00 175.10 174.22 3hh1 s PRO 116 N 1.26 4.36 -0.56 2.72 0.04 -1.26 -0.54 135.00 141.02 3hh1 s PRO 116 Ca -0.02 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3hh1 s PRO 116 Cb -0.17 -2.91 0.15 0.00 0.04 0.00 0.00 34.50 31.61 3hh1 s PRO 116 CO -0.08 -0.03 0.35 0.08 0.04 0.00 0.00 177.00 177.35 3hh1 s VAL 117 N -1.33 2.27 -2.65 -0.36 1.01 0.76 -4.84 120.40 115.26 3hh1 s VAL 117 Ca 0.51 -3.46 0.27 0.00 0.00 0.00 0.00 61.98 59.30 3hh1 s VAL 117 Cb -0.30 -2.54 0.44 0.00 0.00 0.00 0.00 36.38 33.98 3hh1 s VAL 117 CO 0.38 -0.93 1.60 -0.81 0.00 0.00 0.00 175.10 175.34