#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh1 n HIS 7 N 0.00 1.55 -2.83 0.00 -0.00 -1.26 -4.88 115.22 107.80 3hh1 n HIS 7 Ca 0.00 1.13 -0.33 0.00 -0.00 0.00 0.00 57.72 58.52 3hh1 n HIS 7 Cb 0.00 -2.20 -0.06 0.00 -0.00 0.00 0.00 29.99 27.73 3hh1 n HIS 7 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3hh1 s LYS 8 N 2.44 4.11 0.91 1.57 -0.14 -1.26 -4.04 119.74 123.33 3hh1 s LYS 8 Ca 1.02 0.96 -0.12 0.00 -1.36 0.00 0.00 55.97 56.46 3hh1 s LYS 8 Cb -1.45 -2.24 0.14 0.00 -1.68 0.00 0.00 37.83 32.59 3hh1 s LYS 8 CO 0.77 -0.02 1.13 0.20 -0.76 0.00 0.00 175.35 176.67 3hh1 s GLY 9 N -2.39 1.58 -0.04 -3.33 0.00 0.65 -4.85 107.32 98.95 3hh1 s GLY 9 Ca 0.59 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.83 3hh1 s GLY 9 CO 0.18 0.05 -0.07 -1.59 0.00 0.00 0.00 173.10 171.67 3hh1 s THR 10 N -3.26 3.64 -0.44 0.90 2.01 -1.26 -4.36 115.64 112.86 3hh1 s THR 10 Ca 0.64 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 3hh1 s THR 10 Cb -0.15 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.87 3hh1 s THR 10 CO 0.53 0.53 0.57 -0.22 -0.69 0.00 0.00 174.62 175.34 3hh1 s LEU 11 N -1.02 4.70 -0.13 4.42 2.96 0.16 -1.72 118.68 128.05 3hh1 s LEU 11 Ca 0.14 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 3hh1 s LEU 11 Cb -0.11 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3hh1 s LEU 11 CO 0.03 -0.73 0.51 -0.31 -1.32 0.00 0.00 176.35 174.53 3hh1 s TYR 12 N 2.56 3.49 -0.37 5.38 2.02 0.01 -0.40 117.35 130.03 3hh1 s TYR 12 Ca 0.18 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.66 3hh1 s TYR 12 Cb -0.16 -2.61 0.02 0.00 -0.40 0.00 0.00 41.96 38.81 3hh1 s TYR 12 CO 0.16 0.10 0.23 0.08 -1.57 0.00 0.00 175.55 174.55 3hh1 s VAL 13 N 0.87 4.86 -0.25 0.71 1.01 0.11 -0.10 120.40 127.60 3hh1 s VAL 13 Ca 0.27 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3hh1 s VAL 13 Cb -0.15 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3hh1 s VAL 13 CO 0.11 -0.19 -0.05 -0.69 0.00 0.00 0.00 175.10 174.28 3hh1 s VAL 14 N 1.62 2.98 0.01 2.92 1.01 0.12 -0.95 120.40 128.12 3hh1 s VAL 14 Ca 0.04 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 3hh1 s VAL 14 Cb -0.19 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3hh1 s VAL 14 CO 0.08 0.18 0.79 0.00 0.00 0.00 0.00 175.10 176.16 3hh1 s ALA 15 N 1.34 3.32 0.31 5.51 0.00 -1.26 -1.45 121.76 129.53 3hh1 s ALA 15 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 3hh1 s ALA 15 Cb -0.17 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3hh1 s ALA 15 CO -0.04 -0.03 0.68 0.95 0.00 0.00 0.00 175.76 177.33 3hh1 s THR 16 N 0.32 4.79 0.80 0.00 -4.23 0.79 -4.82 115.64 113.30 3hh1 s THR 16 Ca 0.41 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.50 3hh1 s THR 16 Cb -0.20 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 70.07 3hh1 s THR 16 CO 0.23 -0.23 1.10 -2.16 -0.54 0.00 0.00 174.62 173.02 3hh1 s PRO 17 N -3.15 2.05 0.29 3.99 0.04 -1.26 -1.11 135.00 135.84 3hh1 s PRO 17 Ca 0.51 0.61 0.12 0.00 0.04 0.00 0.00 61.00 62.27 3hh1 s PRO 17 Cb -0.10 -1.92 0.41 0.00 0.04 0.00 0.00 34.50 32.92 3hh1 s PRO 17 CO 0.22 -1.64 1.63 -0.07 0.04 0.00 0.00 177.00 177.18 3hh1 h LEU 18 N -1.10 0.00 0.00 -3.56 3.38 -1.97 -3.44 115.31 108.61 3hh1 h LEU 18 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hh1 h LEU 18 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hh1 h LEU 18 CO 0.60 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.32 3hh1 n GLY 19 N 0.23 0.89 3.75 0.83 0.00 -1.26 -5.05 105.19 104.57 3hh1 n GLY 19 Ca -0.01 0.00 -0.41 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 -0.40 7.15 0.49 1.61 3.84 -1.26 -4.93 114.94 121.43 3hh1 s ASN 20 Ca 0.00 2.25 0.14 0.00 0.21 0.00 0.00 52.86 55.46 3hh1 s ASN 20 Cb 0.00 -2.62 1.15 0.00 -0.55 0.00 0.00 41.25 39.24 3hh1 s ASN 20 CO 0.00 -0.28 2.10 -0.07 -2.79 0.00 0.00 177.10 176.06 3hh1 h LEU 21 N 4.65 0.15 0.00 3.21 3.38 -1.97 -2.61 115.31 122.13 3hh1 h LEU 21 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hh1 h LEU 21 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hh1 h LEU 21 CO 0.71 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.82 3hh1 n ASP 22 N -4.50 0.00 -4.36 -0.43 8.00 -1.26 -4.90 116.55 109.09 3hh1 n ASP 22 Ca 0.01 -0.12 -0.38 0.00 0.71 0.00 0.00 54.79 55.01 3hh1 n ASP 22 Cb 0.15 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.22 3.88 -4.67 -2.24 8.00 -0.99 -5.02 116.55 114.28 3hh1 n ASP 23 Ca 0.10 -2.81 -0.25 0.00 0.71 0.00 0.00 54.79 52.54 3hh1 n ASP 23 Cb 0.13 -1.66 -0.07 0.00 -0.02 0.00 0.00 41.12 39.49 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 6.54 3.73 0.24 -3.53 -4.23 -1.26 -5.05 115.64 112.08 3hh1 s THR 25 Ca 0.58 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3hh1 s THR 25 Cb 0.05 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.19 3hh1 s THR 25 CO 0.08 -0.18 1.74 0.15 -0.54 0.00 0.00 174.62 175.87 3hh1 h PHE 26 N 2.43 0.56 -0.43 3.99 3.57 -1.98 -2.11 116.94 122.97 3hh1 h PHE 26 Ca -0.47 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.12 3hh1 h PHE 26 Cb 1.22 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 3hh1 h PHE 26 CO 0.63 0.10 0.15 -0.09 -2.23 0.00 0.00 178.31 176.87 3hh1 h ARG 27 N 0.49 0.31 0.00 1.11 9.65 -1.98 -0.30 114.38 123.66 3hh1 h ARG 27 Ca 0.41 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.28 3hh1 h ARG 27 Cb 0.59 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3hh1 h ARG 27 CO -0.38 0.21 -0.03 0.00 2.80 0.00 0.00 179.97 182.57 3hh1 h ALA 28 N 1.28 -0.04 -0.61 2.80 0.00 -1.76 -0.64 119.26 120.29 3hh1 h ALA 28 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hh1 h ALA 28 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hh1 h ALA 28 CO -0.20 -0.53 0.12 0.28 0.00 0.00 0.00 179.25 178.92 3hh1 h VAL 29 N -0.06 1.26 -0.37 0.00 2.07 -1.11 -2.06 116.25 115.98 3hh1 h VAL 29 Ca 0.01 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3hh1 h VAL 29 Cb 0.08 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hh1 h VAL 29 CO -0.03 0.36 0.02 -1.13 0.02 0.00 0.00 177.57 176.81 3hh1 h ASN 30 N 0.91 0.53 -0.18 0.57 -1.24 -0.90 -0.97 115.58 114.30 3hh1 h ASN 30 Ca 0.19 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3hh1 h ASN 30 Cb 0.40 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 3hh1 h ASN 30 CO 0.01 0.58 0.05 0.74 -1.29 0.00 0.00 177.43 177.52 3hh1 h THR 31 N 0.54 1.19 -0.46 -3.57 2.02 -0.57 -1.87 112.91 110.19 3hh1 h THR 31 Ca 0.12 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3hh1 h THR 31 Cb 0.32 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3hh1 h THR 31 CO 0.01 0.19 0.30 -0.07 0.37 0.00 0.00 175.52 176.31 3hh1 h LEU 32 N 0.11 0.54 -1.01 2.58 3.38 -1.18 -2.36 115.31 117.37 3hh1 h LEU 32 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hh1 h LEU 32 Cb 0.24 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3hh1 h LEU 32 CO -0.00 0.40 0.66 0.03 0.09 0.00 0.00 178.44 179.62 3hh1 h ARG 33 N 0.62 1.30 -0.14 1.13 3.08 -0.95 -3.20 114.38 116.23 3hh1 h ARG 33 Ca 0.17 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3hh1 h ARG 33 Cb -0.06 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 29.70 3hh1 h ARG 33 CO -0.04 0.86 0.00 0.09 -1.07 0.00 0.00 179.97 179.82 3hh1 n ASN 34 N -4.40 3.05 -4.75 7.04 3.02 -0.72 -5.00 115.26 113.50 3hh1 n ASN 34 Ca 0.12 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.37 3hh1 n ASN 34 Cb 0.03 -0.08 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.72 2.49 0.37 5.41 0.00 -0.90 -4.92 121.76 122.49 3hh1 s ALA 35 Ca 0.30 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.37 3hh1 s ALA 35 Cb 0.20 -3.46 0.74 0.00 0.00 0.00 0.00 23.12 20.59 3hh1 s ALA 35 CO 0.29 -1.27 1.88 0.78 0.00 0.00 0.00 175.76 177.44 3hh1 h GLY 36 N 0.75 0.24 -3.49 0.00 0.00 -1.35 -3.46 103.07 95.77 3hh1 h GLY 36 Ca -0.50 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3hh1 h GLY 36 CO 0.54 0.15 0.13 0.00 0.00 0.00 0.00 176.54 177.36 3hh1 s ALA 37 N -4.61 -1.51 -0.13 3.60 0.00 -1.18 -4.39 121.76 113.55 3hh1 s ALA 37 Ca -0.05 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3hh1 s ALA 37 Cb 0.15 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3hh1 s ALA 37 CO 0.74 -0.57 -0.20 0.42 0.00 0.00 0.00 175.76 176.15 3hh1 s ILE 38 N -2.63 2.29 -0.22 0.00 1.01 0.27 -1.57 121.20 120.35 3hh1 s ILE 38 Ca -0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 3hh1 s ILE 38 Cb -0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3hh1 s ILE 38 CO -0.03 0.54 0.29 0.00 0.00 0.00 0.00 174.94 175.74 3hh1 s ALA 39 N 0.60 3.58 0.32 9.38 0.00 0.19 -0.31 121.76 135.52 3hh1 s ALA 39 Ca -0.11 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 3hh1 s ALA 39 Cb -0.16 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.52 3hh1 s ALA 39 CO 0.03 -0.23 0.82 0.00 0.00 0.00 0.00 175.76 176.37 3hh1 s GLU 41 N -2.72 4.69 -1.36 0.00 0.41 -1.26 -1.13 118.70 117.33 3hh1 s GLU 41 Ca 0.15 1.37 -0.16 0.00 -0.41 0.00 0.00 54.97 55.92 3hh1 s GLU 41 Cb -0.05 -3.35 0.07 0.00 -1.78 0.00 0.00 34.13 29.02 3hh1 s GLU 41 CO 0.09 0.31 1.93 -3.47 -0.49 0.00 0.00 175.26 173.63 3hh1 n ASP 42 N 2.44 4.53 -4.10 -0.19 2.03 -1.26 -4.59 116.55 115.41 3hh1 n ASP 42 Ca 0.00 -2.90 -0.11 0.00 0.52 0.00 0.00 54.79 52.31 3hh1 n ASP 42 Cb 0.49 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.12 3hh1 n ASP 42 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hh1 s THR 43 N 3.47 0.03 0.27 5.18 -4.23 -1.26 -5.04 115.64 114.06 3hh1 s THR 43 Ca 0.50 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3hh1 s THR 43 Cb 0.08 -2.25 0.27 0.00 1.34 0.00 0.00 72.50 71.94 3hh1 s THR 43 CO 0.00 -0.12 1.86 -0.09 -0.54 0.00 0.00 174.62 175.74 3hh1 h ARG 44 N 2.55 1.05 -0.83 3.99 2.43 -2.00 -2.37 114.38 119.20 3hh1 h ARG 44 Ca -0.33 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.82 3hh1 h ARG 44 Cb 1.24 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3hh1 h ARG 44 CO 0.49 0.69 0.53 0.00 -1.51 0.00 0.00 179.97 180.17 3hh1 h ARG 45 N 1.08 0.98 -0.60 0.20 2.47 -1.96 -0.68 114.38 115.88 3hh1 h ARG 45 Ca 0.45 -0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 59.02 3hh1 h ARG 45 Cb 0.30 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3hh1 h ARG 45 CO -0.21 0.65 0.00 1.15 0.56 0.00 0.00 179.97 182.12 3hh1 h THR 46 N 1.01 1.27 -0.76 2.04 2.02 -1.69 -1.47 112.91 115.33 3hh1 h THR 46 Ca 0.34 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3hh1 h THR 46 Cb 0.04 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3hh1 h THR 46 CO -0.12 0.42 0.31 -1.28 0.37 0.00 0.00 175.52 175.21 3hh1 h SER 47 N 0.96 1.03 -0.39 4.18 0.87 -0.99 -2.05 113.55 117.15 3hh1 h SER 47 Ca 0.17 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3hh1 h SER 47 Cb 0.56 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3hh1 h SER 47 CO 0.03 0.90 0.05 0.40 -0.53 0.00 0.00 176.83 177.68 3hh1 h ILE 48 N 1.09 1.24 -0.15 2.23 2.04 -0.93 -1.33 117.51 121.71 3hh1 h ILE 48 Ca 0.25 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3hh1 h ILE 48 Cb 0.19 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3hh1 h ILE 48 CO -0.02 0.30 0.06 0.25 0.00 0.00 0.00 178.15 178.74 3hh1 h LEU 49 N 0.49 0.09 -0.55 1.44 5.85 -1.04 -0.57 115.31 121.02 3hh1 h LEU 49 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hh1 h LEU 49 Cb 0.39 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hh1 h LEU 49 CO 0.01 0.07 0.30 -0.07 -0.34 0.00 0.00 178.44 178.41 3hh1 h LEU 50 N 0.14 0.69 -0.55 2.25 3.38 -1.25 -2.79 115.31 117.17 3hh1 h LEU 50 Ca 0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3hh1 h LEU 50 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3hh1 h LEU 50 CO -0.05 0.58 0.04 0.50 0.09 0.00 0.00 178.44 179.60 3hh1 h LYS 51 N 0.74 0.96 -0.98 1.13 3.64 -1.09 0.13 116.57 121.09 3hh1 h LYS 51 Ca 0.19 -0.29 0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3hh1 h LYS 51 Cb 0.05 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.69 3hh1 h LYS 51 CO -0.03 0.95 0.62 1.25 -2.27 0.00 0.00 179.45 179.97 3hh1 h HIS 52 N 0.84 1.09 -0.70 1.91 2.76 -0.83 -1.55 115.15 118.67 3hh1 h HIS 52 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3hh1 h HIS 52 Cb 0.49 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hh1 h HIS 52 CO 0.04 0.45 0.00 1.19 -1.30 0.00 0.00 177.93 178.31 3hh1 n PHE 53 N -4.59 1.34 -2.57 5.26 3.72 -1.13 -4.95 117.46 114.54 3hh1 n PHE 53 Ca 0.18 -0.57 -0.18 0.00 -0.05 0.00 0.00 57.45 56.83 3hh1 n PHE 53 Cb 0.34 -0.16 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.36 -0.32 3.52 1.37 0.00 -0.58 -4.93 105.19 105.60 3hh1 n GLY 54 Ca 0.26 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.95 4.61 -0.02 -0.61 1.01 0.40 -5.01 121.20 118.63 3hh1 s ILE 55 Ca 0.11 0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.05 3hh1 s ILE 55 Cb -0.05 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3hh1 s ILE 55 CO 0.14 -0.86 -0.23 -1.61 0.00 0.00 0.00 174.94 172.38 3hh1 s GLU 56 N 3.38 2.18 0.00 2.79 2.02 -1.26 -4.50 118.70 123.31 3hh1 s GLU 56 Ca 0.27 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3hh1 s GLU 56 Cb -0.13 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3hh1 s GLU 56 CO 0.20 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.46 3hh1 n GLY 57 N 2.31 0.52 3.75 -1.39 0.00 -1.26 -4.99 105.19 104.13 3hh1 n GLY 57 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3hh1 n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hh1 s LYS 58 N -0.09 4.54 0.05 1.61 2.47 -1.26 -4.98 119.74 122.08 3hh1 s LYS 58 Ca 0.00 1.85 -0.31 0.00 -1.56 0.00 0.00 55.97 55.96 3hh1 s LYS 58 Cb 0.00 -3.22 -0.07 0.00 -1.46 0.00 0.00 37.83 33.07 3hh1 s LYS 58 CO 0.00 0.01 1.55 0.50 0.16 0.00 0.00 175.35 177.58 3hh1 s ARG 59 N -0.68 4.23 -0.04 4.03 3.52 -1.26 -4.93 118.95 123.82 3hh1 s ARG 59 Ca 0.50 2.20 0.03 0.00 -0.13 0.00 0.00 55.73 58.33 3hh1 s ARG 59 Cb -0.32 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 3hh1 s ARG 59 CO 0.39 -0.66 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.60 3hh1 s LEU 60 N 2.41 2.96 -0.21 -0.88 1.43 -1.26 -0.57 118.68 122.56 3hh1 s LEU 60 Ca 0.70 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3hh1 s LEU 60 Cb -0.37 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3hh1 s LEU 60 CO 0.30 0.33 -0.16 -0.69 0.23 0.00 0.00 176.35 176.36 3hh1 s VAL 61 N -0.83 2.18 -0.04 -1.59 1.01 0.57 -4.91 120.40 116.79 3hh1 s VAL 61 Ca 0.13 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 3hh1 s VAL 61 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3hh1 s VAL 61 CO 0.03 0.36 0.24 -0.94 0.00 0.00 0.00 175.10 174.79 3hh1 s SER 62 N 1.25 6.50 -0.07 3.32 1.04 -1.26 -1.49 113.70 123.00 3hh1 s SER 62 Ca 0.01 0.58 0.05 0.00 0.48 0.00 0.00 55.95 57.07 3hh1 s SER 62 Cb -0.15 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 3hh1 s SER 62 CO -0.10 0.32 -0.21 -0.72 0.98 0.00 0.00 173.24 173.50 3hh1 s TYR 63 N -1.18 2.15 0.00 5.02 -0.85 -0.28 -4.76 117.35 117.44 3hh1 s TYR 63 Ca 0.23 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 3hh1 s TYR 63 Cb -0.13 -1.44 0.00 0.00 0.38 0.00 0.00 41.96 40.77 3hh1 s TYR 63 CO 0.12 -0.26 0.00 0.72 -1.52 0.00 0.00 175.55 174.61 3hh1 n HIS 64 N 3.25 0.00 -1.21 -3.49 -0.00 -1.26 -4.40 115.22 108.11 3hh1 n HIS 64 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 3hh1 n HIS 64 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3hh1 n HIS 64 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hh1 n GLU 68 N 0.00 0.00 0.07 -0.41 2.13 -1.26 -5.12 120.64 116.05 3hh1 n GLU 68 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hh1 n GLU 68 Cb 0.00 0.00 0.31 0.00 0.27 0.00 0.00 31.44 32.02 3hh1 n GLU 68 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3hh1 h GLU 69 N 0.00 0.35 -0.57 5.31 4.57 -2.00 -1.78 114.58 120.46 3hh1 h GLU 69 Ca 0.00 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3hh1 h GLU 69 Cb 0.47 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3hh1 h GLU 69 CO 0.00 0.50 -0.04 -0.09 -1.18 0.00 0.00 179.01 178.21 3hh1 h ARG 70 N 0.33 1.03 -0.72 1.92 2.43 -1.99 -1.19 114.38 116.19 3hh1 h ARG 70 Ca 0.06 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 3hh1 h ARG 70 Cb 0.46 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3hh1 h ARG 70 CO 0.03 1.04 0.19 0.00 -1.51 0.00 0.00 179.97 179.71 3hh1 h ALA 71 N 0.96 0.96 -0.51 2.80 0.00 -1.78 -0.36 119.26 121.33 3hh1 h ALA 71 Ca 0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hh1 h ALA 71 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hh1 h ALA 71 CO 0.04 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.30 3hh1 h VAL 72 N 1.09 1.25 -0.45 0.00 2.07 -1.11 -1.45 116.25 117.66 3hh1 h VAL 72 Ca 0.23 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3hh1 h VAL 72 Cb 0.36 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hh1 h VAL 72 CO 0.00 0.35 0.19 -0.09 0.02 0.00 0.00 177.57 178.04 3hh1 h ARG 73 N 0.74 0.67 -0.62 1.57 2.43 -0.95 -1.03 114.38 117.19 3hh1 h ARG 73 Ca 0.15 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3hh1 h ARG 73 Cb 0.43 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3hh1 h ARG 73 CO 0.01 0.61 0.33 1.96 -1.51 0.00 0.00 179.97 181.37 3hh1 h GLN 74 N 0.59 0.59 -0.25 0.20 4.20 -0.82 -0.77 115.11 118.85 3hh1 h GLN 74 Ca 0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3hh1 h GLN 74 Cb 0.18 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3hh1 h GLN 74 CO -0.01 0.39 -0.11 0.28 -0.67 0.00 0.00 178.83 178.71 3hh1 h VAL 75 N 0.61 1.30 -0.95 -0.54 2.07 -0.91 -1.50 116.25 116.33 3hh1 h VAL 75 Ca 0.28 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3hh1 h VAL 75 Cb 0.20 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3hh1 h VAL 75 CO -0.19 0.37 0.60 0.40 0.02 0.00 0.00 177.57 178.77 3hh1 h ILE 76 N 0.25 1.25 -0.64 4.57 1.08 -1.03 -1.27 117.51 121.73 3hh1 h ILE 76 Ca 0.06 -0.52 -0.08 0.00 -0.39 0.00 0.00 64.86 63.93 3hh1 h ILE 76 Cb 0.61 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3hh1 h ILE 76 CO 0.03 0.26 0.09 -0.33 -0.69 0.00 0.00 178.15 177.52 3hh1 h GLU 77 N 1.31 1.06 -0.34 2.37 5.08 -0.85 0.02 114.58 123.22 3hh1 h GLU 77 Ca 0.34 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hh1 h GLU 77 Cb -0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hh1 h GLU 77 CO -0.07 0.98 0.18 -0.07 -1.00 0.00 0.00 179.01 179.03 3hh1 h LEU 78 N 0.99 0.43 -0.44 1.33 3.38 -0.82 -2.30 115.31 117.89 3hh1 h LEU 78 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hh1 h LEU 78 Cb 0.44 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hh1 h LEU 78 CO 0.01 0.40 0.29 -0.07 0.09 0.00 0.00 178.44 179.16 3hh1 h LEU 79 N 0.43 0.51 -1.81 1.67 3.38 -0.93 -0.94 115.31 117.61 3hh1 h LEU 79 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hh1 h LEU 79 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hh1 h LEU 79 CO -0.02 0.38 0.04 -0.08 0.09 0.00 0.00 178.44 178.86 3hh1 h GLU 80 N 0.59 0.16 -0.13 1.13 4.57 -0.89 0.22 114.58 120.23 3hh1 h GLU 80 Ca 0.16 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3hh1 h GLU 80 Cb -0.06 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3hh1 h GLU 80 CO -0.03 0.14 0.00 0.39 -1.18 0.00 0.00 179.01 178.33 3hh1 n GLU 81 N -4.48 1.63 -0.35 1.92 -0.58 -0.88 -4.78 120.64 113.12 3hh1 n GLU 81 Ca -0.01 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 3hh1 n GLU 81 Cb 0.11 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hh1 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hh1 n GLY 82 N 1.10 0.81 3.73 0.62 0.00 -0.57 -4.93 105.19 105.94 3hh1 n GLY 82 Ca 0.16 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.13 6.66 0.45 1.61 0.01 -0.41 -4.36 113.70 115.54 3hh1 s SER 83 Ca 0.00 0.78 -0.23 0.00 1.31 0.00 0.00 55.95 57.81 3hh1 s SER 83 Cb 0.00 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.89 3hh1 s SER 83 CO 0.00 0.05 1.11 -1.81 0.41 0.00 0.00 173.24 173.00 3hh1 s ASP 84 N 0.44 6.33 -0.06 2.44 1.01 -1.26 -3.71 116.67 121.86 3hh1 s ASP 84 Ca 0.24 2.16 0.03 0.00 0.71 0.00 0.00 52.55 55.70 3hh1 s ASP 84 Cb -0.15 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3hh1 s ASP 84 CO 0.09 -0.80 -0.16 -0.69 0.21 0.00 0.00 175.17 173.83 3hh1 s VAL 85 N -1.65 1.39 -0.26 -1.27 1.01 -0.70 -0.88 120.40 118.03 3hh1 s VAL 85 Ca 0.63 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 3hh1 s VAL 85 Cb -0.25 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3hh1 s VAL 85 CO 0.30 0.41 0.14 0.00 0.00 0.00 0.00 175.10 175.95 3hh1 s ALA 86 N 0.32 3.41 -0.33 5.51 0.00 -0.61 -0.81 121.76 129.26 3hh1 s ALA 86 Ca -0.10 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 3hh1 s ALA 86 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3hh1 s ALA 86 CO 0.04 -0.46 0.47 -1.17 0.00 0.00 0.00 175.76 174.64 3hh1 s LEU 87 N 1.58 4.29 -0.22 0.00 2.96 0.85 -0.64 118.68 127.50 3hh1 s LEU 87 Ca 0.07 0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 3hh1 s LEU 87 Cb -0.15 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3hh1 s LEU 87 CO 0.07 -0.40 0.44 -0.69 -1.32 0.00 0.00 176.35 174.45 3hh1 s VAL 88 N 2.28 5.16 0.28 1.68 1.01 -0.20 -0.70 120.40 129.91 3hh1 s VAL 88 Ca 0.17 0.76 0.09 0.00 0.00 0.00 0.00 61.98 63.01 3hh1 s VAL 88 Cb -0.16 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3hh1 s VAL 88 CO 0.12 0.20 -0.13 0.42 0.00 0.00 0.00 175.10 175.71 3hh1 s THR 89 N 1.65 2.07 -0.24 3.92 -4.23 -0.53 -4.71 115.64 113.57 3hh1 s THR 89 Ca 0.20 -2.25 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 3hh1 s THR 89 Cb -0.15 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3hh1 s THR 89 CO 0.09 -0.37 0.35 -0.62 -0.54 0.00 0.00 174.62 173.53 3hh1 s ASP 90 N -3.48 6.30 0.61 3.99 2.15 -1.26 -0.15 116.67 124.83 3hh1 s ASP 90 Ca 0.29 0.35 0.30 0.00 0.43 0.00 0.00 52.55 53.92 3hh1 s ASP 90 Cb -0.00 -2.20 1.69 0.00 -0.30 0.00 0.00 42.92 42.10 3hh1 s ASP 90 CO 0.13 -0.11 2.06 0.00 -0.17 0.00 0.00 175.17 177.08 3hh1 h ALA 91 N 7.80 1.73 0.00 3.66 0.00 -1.42 -1.41 119.26 129.62 3hh1 h ALA 91 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hh1 h ALA 91 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hh1 h ALA 91 CO 0.67 -0.35 0.00 0.78 0.00 0.00 0.00 179.25 180.36 3hh1 h GLY 92 N 0.00 0.00 -5.93 0.00 0.00 -1.91 -3.46 103.07 91.77 3hh1 h GLY 92 Ca 0.09 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.81 3hh1 h GLY 92 CO -0.00 0.00 -0.41 -1.59 0.00 0.00 0.00 176.54 174.54 3hh1 s THR 93 N -3.15 5.37 0.10 4.70 2.01 -0.53 -5.05 115.64 119.08 3hh1 s THR 93 Ca 0.09 0.37 -0.36 0.00 0.31 0.00 0.00 61.69 62.10 3hh1 s THR 93 Cb 0.11 -3.53 -0.16 0.00 0.01 0.00 0.00 72.50 68.93 3hh1 s THR 93 CO 0.57 0.47 1.38 -2.65 -0.69 0.00 0.00 174.62 173.69 3hh1 n PRO 94 N 3.13 1.31 -0.34 4.92 -0.02 -1.26 -4.87 135.00 137.86 3hh1 n PRO 94 Ca -0.15 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3hh1 n PRO 94 Cb 0.53 -2.13 0.31 0.00 -0.02 0.00 0.00 33.50 32.18 3hh1 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hh1 h ALA 95 N 4.77 1.62 0.00 3.55 0.00 -1.94 -0.92 119.26 126.34 3hh1 h ALA 95 Ca -0.47 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3hh1 h ALA 95 Cb 1.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hh1 h ALA 95 CO 0.79 -0.09 -0.12 -0.84 0.00 0.00 0.00 179.25 179.00 3hh1 h ILE 96 N 0.72 0.34 -0.00 0.00 3.07 -2.01 -2.87 117.51 116.75 3hh1 h ILE 96 Ca 0.57 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 66.21 3hh1 h ILE 96 Cb 0.90 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 3hh1 h ILE 96 CO -0.40 0.12 -0.16 -1.20 -1.05 0.00 0.00 178.15 175.46 3hh1 n SER 97 N -3.31 0.21 -4.52 2.16 7.64 -0.36 -4.80 113.62 110.64 3hh1 n SER 97 Ca -0.00 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 3hh1 n SER 97 Cb 0.34 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 63.23 3hh1 n SER 97 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hh1 s ASP 98 N -2.89 6.10 0.56 6.43 2.15 -1.08 -5.02 116.67 122.91 3hh1 s ASP 98 Ca 0.16 -0.45 -0.21 0.00 0.43 0.00 0.00 52.55 52.48 3hh1 s ASP 98 Cb 0.19 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 3hh1 s ASP 98 CO 0.57 -0.31 1.29 -2.16 -0.17 0.00 0.00 175.17 174.39 3hh1 s PRO 99 N 1.81 3.11 0.00 4.34 0.04 -1.26 -1.49 135.00 141.54 3hh1 s PRO 99 Ca 0.08 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3hh1 s PRO 99 Cb -0.17 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3hh1 s PRO 99 CO 0.11 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.40 3hh1 n GLY 100 N 0.67 2.17 0.23 0.56 0.00 -1.26 -4.81 105.19 102.75 3hh1 n GLY 100 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3hh1 n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hh1 h TYR 101 N 0.00 -0.21 0.00 1.61 3.20 -1.51 0.21 116.97 120.27 3hh1 h TYR 101 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hh1 h TYR 101 Cb 0.00 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3hh1 h TYR 101 CO 0.00 -0.22 0.00 0.25 -1.64 0.00 0.00 178.16 176.55 3hh1 n THR 102 N -5.36 1.16 0.00 1.81 -2.24 -1.26 -0.66 114.28 107.74 3hh1 n THR 102 Ca 0.07 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hh1 n THR 102 Cb 0.32 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 3hh1 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hh1 n ALA 104 N 1.19 0.00 -0.24 6.98 0.00 0.75 -0.62 120.51 128.56 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 0.37 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.93 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 0.57 -0.38 0.00 0.02 -1.13 -0.62 113.55 112.02 3hh1 h SER 105 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3hh1 h SER 105 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3hh1 h SER 105 CO 0.00 0.37 -0.02 0.00 -1.14 0.00 0.00 176.83 176.03 3hh1 h ALA 106 N 1.36 0.51 -0.65 3.77 0.00 -1.13 0.69 119.26 123.82 3hh1 h ALA 106 Ca 0.31 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3hh1 h ALA 106 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hh1 h ALA 106 CO -0.19 0.30 0.17 0.00 0.00 0.00 0.00 179.25 179.54 3hh1 h ALA 107 N 0.86 1.08 -0.20 0.00 0.00 -1.73 -1.11 119.26 118.16 3hh1 h ALA 107 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hh1 h ALA 107 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hh1 h ALA 107 CO 0.02 0.62 -0.00 1.25 0.00 0.00 0.00 179.25 181.14 3hh1 h HIS 108 N 0.97 0.39 -0.69 0.00 6.17 -0.95 -0.53 115.15 120.50 3hh1 h HIS 108 Ca 0.21 -0.07 0.11 0.00 0.71 0.00 0.00 60.37 61.33 3hh1 h HIS 108 Cb 0.32 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.11 3hh1 h HIS 108 CO 0.02 0.55 0.46 0.00 0.71 0.00 0.00 177.93 179.67 3hh1 h ALA 109 N 0.78 1.95 -0.05 5.26 0.00 -0.42 0.97 119.26 127.75 3hh1 h ALA 109 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hh1 h ALA 109 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hh1 h ALA 109 CO 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3hh1 n ALA 110 N -2.49 2.57 -1.08 0.00 0.00 -0.46 -4.90 120.51 114.15 3hh1 n ALA 110 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 3hh1 n ALA 110 Cb 0.38 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 0.83 0.57 3.83 0.00 0.00 0.33 -5.02 105.19 105.73 3hh1 n GLY 111 Ca 0.12 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.65 4.26 0.26 0.99 1.43 -0.23 -5.01 118.68 119.73 3hh1 s LEU 112 Ca 0.00 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 3hh1 s LEU 112 Cb 0.00 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 3hh1 s LEU 112 CO 0.00 -0.02 1.32 -2.16 0.23 0.00 0.00 176.35 175.72 3hh1 s PRO 113 N -2.26 4.37 -0.14 1.29 0.05 -1.26 -4.17 135.00 132.87 3hh1 s PRO 113 Ca 0.45 2.14 -0.00 0.00 0.05 0.00 0.00 61.00 63.64 3hh1 s PRO 113 Cb -0.14 -3.13 0.03 0.00 0.05 0.00 0.00 34.50 31.31 3hh1 s PRO 113 CO 0.20 -0.23 -0.08 0.08 0.05 0.00 0.00 177.00 177.02 3hh1 s VAL 114 N -0.47 1.21 -0.19 -0.36 1.01 -1.26 -0.66 120.40 119.68 3hh1 s VAL 114 Ca 0.53 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 3hh1 s VAL 114 Cb -0.38 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 34.78 3hh1 s VAL 114 CO 0.45 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 175.09 3hh1 s VAL 115 N 1.61 1.25 0.35 2.92 1.01 0.46 -4.97 120.40 123.03 3hh1 s VAL 115 Ca 0.03 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3hh1 s VAL 115 Cb -0.14 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 3hh1 s VAL 115 CO -0.09 0.07 1.18 -2.16 0.00 0.00 0.00 175.10 174.11 3hh1 s PRO 116 N 1.56 4.30 -0.31 2.72 0.04 -1.26 -0.71 135.00 141.34 3hh1 s PRO 116 Ca -0.01 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3hh1 s PRO 116 Cb -0.16 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 3hh1 s PRO 116 CO -0.07 -0.13 0.19 0.08 0.04 0.00 0.00 177.00 177.11 3hh1 s VAL 117 N -1.28 5.04 -2.00 -0.36 1.01 -0.12 -4.83 120.40 117.87 3hh1 s VAL 117 Ca 0.51 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.40 3hh1 s VAL 117 Cb -0.33 -3.52 0.22 0.00 0.00 0.00 0.00 36.38 32.75 3hh1 s VAL 117 CO 0.43 0.10 0.92 -2.65 0.00 0.00 0.00 175.10 173.90