#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5b n ASP 2 N 0.00 -1.12 0.00 1.61 5.75 -1.26 -5.05 116.55 116.48 1h5b n ASP 2 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1h5b n ASP 2 Cb 0.00 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1h5b n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5b n GLN 3 N -0.78 0.00 -4.44 0.11 1.13 -1.26 -4.66 117.38 107.49 1h5b n GLN 3 Ca -0.12 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.60 1h5b n GLN 3 Cb 0.73 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.94 1h5b n GLN 3 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1h5b s VAL 4 N 0.00 3.15 -0.26 5.09 1.01 -1.26 -1.49 120.40 126.64 1h5b s VAL 4 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1h5b s VAL 4 Cb 0.00 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 34.07 1h5b s VAL 4 CO 0.00 0.49 -0.11 -0.70 0.00 0.00 0.00 175.10 174.79 1h5b s GLU 5 N 0.75 2.30 0.14 2.72 2.56 0.41 -4.63 118.70 122.96 1h5b s GLU 5 Ca -0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 54.97 53.51 1h5b s GLU 5 Cb -0.15 -2.90 -0.06 0.00 2.00 0.00 0.00 34.13 33.02 1h5b s GLU 5 CO 0.01 -0.55 0.47 -0.65 -0.56 0.00 0.00 175.26 173.98 1h5b s GLN 6 N 1.12 3.79 -0.15 4.30 -0.21 -1.26 -0.71 119.66 126.54 1h5b s GLN 6 Ca -0.08 0.22 -0.18 0.00 0.02 0.00 0.00 55.36 55.34 1h5b s GLN 6 Cb -0.20 -2.86 0.05 0.00 1.00 0.00 0.00 33.01 31.00 1h5b s GLN 6 CO -0.05 0.46 0.49 -1.54 -2.12 0.00 0.00 175.29 172.53 1h5b s SER 7 N -2.03 -0.48 0.95 5.90 1.04 -0.23 -4.63 113.70 114.21 1h5b s SER 7 Ca 0.39 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1h5b s SER 7 Cb -0.13 0.86 0.16 0.00 0.10 0.00 0.00 66.02 67.00 1h5b s SER 7 CO 0.20 -0.26 0.93 -0.81 0.98 0.00 0.00 173.24 174.28 1h5b n PRO 8 N 2.38 -0.80 0.03 4.02 -0.04 -1.26 -0.53 135.00 138.80 1h5b n PRO 8 Ca -0.15 -1.57 -0.10 0.00 -0.04 0.00 0.00 63.50 61.64 1h5b n PRO 8 Cb 0.57 -0.92 -0.13 0.00 -0.04 0.00 0.00 33.50 32.97 1h5b n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1h5b h SER 9 N -1.15 0.10 -5.00 3.54 0.02 -1.82 -3.40 113.55 105.83 1h5b h SER 9 Ca -0.30 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 1h5b h SER 9 Cb 0.87 -0.03 -0.17 0.00 0.14 0.00 0.00 62.40 63.20 1h5b h SER 9 CO 0.23 1.12 0.17 0.00 -1.14 0.00 0.00 176.83 177.21 1h5b s ALA 10 N -2.64 -1.68 -0.14 3.77 0.00 -1.26 -0.91 121.76 118.90 1h5b s ALA 10 Ca -0.04 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 1h5b s ALA 10 Cb 0.08 0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1h5b s ALA 10 CO 0.83 -0.46 0.74 -0.48 0.00 0.00 0.00 175.76 176.39 1h5b s LEU 11 N -1.56 -0.65 -0.05 0.00 -0.00 -0.62 -4.92 118.68 110.88 1h5b s LEU 11 Ca -0.08 0.91 0.05 0.00 -0.00 0.00 0.00 54.13 55.01 1h5b s LEU 11 Cb -0.00 2.41 -0.01 0.00 -0.00 0.00 0.00 46.19 48.59 1h5b s LEU 11 CO 0.04 -0.45 -0.20 -0.44 -0.00 0.00 0.00 176.35 175.30 1h5b s SER 12 N -0.64 2.54 0.09 1.48 0.01 -1.26 -1.75 113.70 114.17 1h5b s SER 12 Ca -0.06 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 1h5b s SER 12 Cb -0.02 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.54 1h5b s SER 12 CO 0.06 0.19 0.26 -1.48 0.41 0.00 0.00 173.24 172.68 1h5b s LEU 13 N -0.06 1.09 0.47 2.44 2.34 -0.62 -4.99 118.68 119.35 1h5b s LEU 13 Ca -0.03 -0.50 -0.11 0.00 0.06 0.00 0.00 54.13 53.54 1h5b s LEU 13 Cb -0.12 1.28 -0.06 0.00 -0.56 0.00 0.00 46.19 46.73 1h5b s LEU 13 CO 0.03 -0.74 0.86 -1.00 -1.06 0.00 0.00 176.35 174.43 1h5b s HIS 14 N -3.67 3.50 0.27 3.48 3.76 -1.26 -0.43 115.29 120.95 1h5b s HIS 14 Ca 0.03 1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 55.80 1h5b s HIS 14 Cb 0.03 -2.55 -0.14 0.00 1.11 0.00 0.00 32.58 31.04 1h5b s HIS 14 CO -0.10 -0.28 1.18 -1.91 -0.85 0.00 0.00 174.74 172.78 1h5b n GLU 15 N -1.71 1.65 -0.01 1.40 2.13 0.14 -1.75 120.64 122.49 1h5b n GLU 15 Ca 0.04 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1h5b n GLU 15 Cb 0.54 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1h5b n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h5b n GLY 16 N 1.42 1.43 3.84 8.31 0.00 0.19 -4.85 105.19 115.53 1h5b n GLY 16 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1h5b n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 17 N -2.50 4.57 -0.01 2.61 2.01 -0.71 -4.24 115.64 117.37 1h5b s THR 17 Ca 0.00 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.13 1h5b s THR 17 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1h5b s THR 17 CO 0.00 -0.24 0.13 -1.81 -0.69 0.00 0.00 174.62 172.01 1h5b s ASP 18 N -2.25 6.01 0.19 3.53 1.01 -1.26 -1.09 116.67 122.80 1h5b s ASP 18 Ca 0.57 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.96 1h5b s ASP 18 Cb -0.10 -1.81 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 1h5b s ASP 18 CO 0.16 0.27 0.36 -0.55 0.21 0.00 0.00 175.17 175.62 1h5b s SER 19 N -1.83 -0.04 -0.03 0.27 0.15 -0.27 -5.00 113.70 106.96 1h5b s SER 19 Ca 0.25 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1h5b s SER 19 Cb -0.12 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1h5b s SER 19 CO 0.16 -0.97 -0.03 0.00 1.20 0.00 0.00 173.24 173.60 1h5b s ALA 20 N -3.96 0.51 -0.01 5.45 0.00 -1.26 -0.81 121.76 121.67 1h5b s ALA 20 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1h5b s ALA 20 Cb 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1h5b s ALA 20 CO 0.01 -0.00 0.05 -0.51 0.00 0.00 0.00 175.76 175.31 1h5b s LEU 21 N 0.75 3.73 0.09 0.00 1.43 0.93 -4.74 118.68 120.87 1h5b s LEU 21 Ca -0.09 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1h5b s LEU 21 Cb -0.12 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1h5b s LEU 21 CO -0.00 0.28 -0.19 -0.60 0.23 0.00 0.00 176.35 176.07 1h5b s ARG 22 N -1.61 1.06 -0.17 1.70 3.52 0.31 -0.57 118.95 123.19 1h5b s ARG 22 Ca 0.21 -1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1h5b s ARG 22 Cb -0.12 -1.23 0.05 0.00 -1.56 0.00 0.00 34.95 32.09 1h5b s ARG 22 CO 0.12 0.29 -0.03 0.00 -0.81 0.00 0.00 175.30 174.86 1h5b s ASN 24 N 1.68 5.13 -0.08 0.00 0.01 0.11 -0.59 114.94 121.20 1h5b s ASN 24 Ca -0.00 0.03 -0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1h5b s ASN 24 Cb -0.16 -1.67 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1h5b s ASN 24 CO -0.07 0.26 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.37 1h5b s PHE 25 N -0.20 2.99 0.14 2.20 0.08 0.35 -0.44 117.98 123.10 1h5b s PHE 25 Ca 0.05 0.02 0.18 0.00 0.12 0.00 0.00 56.93 57.30 1h5b s PHE 25 Cb -0.13 -1.75 0.61 0.00 -0.57 0.00 0.00 43.02 41.18 1h5b s PHE 25 CO 0.02 0.32 1.70 1.79 -0.10 0.00 0.00 175.22 178.95 1h5b h THR 26 N 4.34 0.89 -3.43 0.64 1.35 -1.56 -3.45 112.91 111.68 1h5b h THR 26 Ca -0.47 -1.61 -0.36 0.00 -0.55 0.00 0.00 66.41 63.42 1h5b h THR 26 Cb 1.18 1.98 -0.14 0.00 -1.73 0.00 0.00 68.15 69.44 1h5b h THR 26 CO 0.54 0.39 -0.65 -0.89 -0.25 0.00 0.00 175.52 174.65 1h5b s THR 27 N -3.54 0.92 0.38 6.82 2.01 -1.26 -5.11 115.64 115.86 1h5b s THR 27 Ca 0.00 -2.02 -0.28 0.00 0.31 0.00 0.00 61.69 59.71 1h5b s THR 27 Cb 0.11 -2.35 -0.11 0.00 0.01 0.00 0.00 72.50 70.16 1h5b s THR 27 CO 0.69 -0.31 1.49 -0.89 -0.69 0.00 0.00 174.62 174.92 1h5b s THR 28 N -3.50 2.02 0.14 -0.82 2.01 -1.26 -4.78 115.64 109.45 1h5b s THR 28 Ca 0.29 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.40 1h5b s THR 28 Cb 0.06 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1h5b s THR 28 CO 0.09 0.00 -0.23 -0.04 -0.69 0.00 0.00 174.62 173.75 1h5b s MET 29 N -2.13 1.32 0.14 4.92 1.00 -1.10 -4.13 119.30 119.33 1h5b s MET 29 Ca 0.53 -1.35 -0.10 0.00 0.00 0.00 0.00 55.69 54.77 1h5b s MET 29 Cb -0.47 -1.63 -0.05 0.00 0.00 0.00 0.00 34.83 32.68 1h5b s MET 29 CO 0.64 0.37 1.43 -0.09 0.00 0.00 0.00 175.02 177.36 1h5b h ARG 30 N 3.66 0.84 -2.54 2.03 2.43 -1.23 -3.46 114.38 116.12 1h5b h ARG 30 Ca -0.47 -0.52 0.14 0.00 -0.81 0.00 0.00 59.98 58.32 1h5b h ARG 30 Cb 1.19 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1h5b h ARG 30 CO 0.43 1.16 0.44 -1.54 -1.51 0.00 0.00 179.97 178.95 1h5b s SER 31 N -6.94 -0.15 0.04 -3.80 1.04 -1.24 -4.71 113.70 97.95 1h5b s SER 31 Ca -0.10 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.80 1h5b s SER 31 Cb 0.10 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 1h5b s SER 31 CO 0.88 -1.07 -0.08 0.54 0.98 0.00 0.00 173.24 174.50 1h5b s VAL 32 N -3.13 0.56 -0.02 5.02 0.11 -0.50 -1.29 120.40 121.14 1h5b s VAL 32 Ca 0.14 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1h5b s VAL 32 Cb -0.03 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1h5b s VAL 32 CO 0.04 -0.32 -0.04 -1.58 -3.33 0.00 0.00 175.10 169.87 1h5b s GLN 33 N -1.45 0.54 -0.11 1.54 0.74 0.50 -1.30 119.66 120.13 1h5b s GLN 33 Ca -0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.20 1h5b s GLN 33 Cb -0.09 -0.56 -0.03 0.00 1.10 0.00 0.00 33.01 33.43 1h5b s GLN 33 CO 0.00 0.01 -0.05 -1.58 -0.55 0.00 0.00 175.29 173.12 1h5b s TRP 34 N 0.40 3.00 0.17 1.67 0.52 0.10 -0.96 118.94 123.85 1h5b s TRP 34 Ca -0.05 -0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.03 1h5b s TRP 34 Cb -0.08 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.37 1h5b s TRP 34 CO -0.00 0.19 -0.10 -0.06 0.02 0.00 0.00 176.95 177.00 1h5b s PHE 35 N -0.34 1.43 -0.05 -1.98 0.40 0.12 0.60 117.98 118.16 1h5b s PHE 35 Ca 0.05 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1h5b s PHE 35 Cb -0.12 -0.72 0.02 0.00 0.51 0.00 0.00 43.02 42.70 1h5b s PHE 35 CO 0.02 0.14 -0.05 0.50 0.70 0.00 0.00 175.22 176.53 1h5b s ARG 36 N -3.74 0.90 -0.09 0.44 3.52 -0.16 -0.74 118.95 119.08 1h5b s ARG 36 Ca 0.20 -0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1h5b s ARG 36 Cb 0.02 -0.90 -0.02 0.00 -1.56 0.00 0.00 34.95 32.50 1h5b s ARG 36 CO 0.03 -0.08 -0.16 -1.14 -0.81 0.00 0.00 175.30 173.14 1h5b s GLN 37 N 0.94 2.97 -0.11 5.12 0.74 0.40 -1.18 119.66 128.55 1h5b s GLN 37 Ca -0.11 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.60 1h5b s GLN 37 Cb -0.14 -2.46 -0.00 0.00 1.10 0.00 0.00 33.01 31.50 1h5b s GLN 37 CO 0.00 0.36 -0.21 -0.80 -0.55 0.00 0.00 175.29 174.09 1h5b s ASN 38 N -0.06 3.35 0.90 6.67 0.01 -1.26 -1.21 114.94 123.34 1h5b s ASN 38 Ca -0.04 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1h5b s ASN 38 Cb -0.14 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.09 1h5b s ASN 38 CO 0.04 0.17 0.00 -0.24 -1.51 0.00 0.00 177.10 175.56 1h5b n SER 39 N 3.48 0.00 -2.20 -1.22 2.88 -1.26 -1.72 113.62 113.58 1h5b n SER 39 Ca -0.19 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.05 1h5b n SER 39 Cb 0.53 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1h5b n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1h5b n ARG 40 N 12.26 3.02 -0.02 -1.46 5.12 -1.26 -4.98 116.66 129.33 1h5b n ARG 40 Ca 0.00 -3.61 0.00 0.00 -1.93 0.00 0.00 57.85 52.31 1h5b n ARG 40 Cb 0.00 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.02 1h5b n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h5b n GLY 41 N -0.85 -0.10 3.80 -0.13 0.00 -0.70 -5.06 105.19 102.15 1h5b n GLY 41 Ca 0.56 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1h5b n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h5b s SER 42 N -1.00 4.88 -0.72 1.61 0.01 -1.26 -4.80 113.70 112.41 1h5b s SER 42 Ca 0.00 1.51 -0.18 0.00 1.31 0.00 0.00 55.95 58.59 1h5b s SER 42 Cb 0.00 -2.31 0.13 0.00 0.21 0.00 0.00 66.02 64.05 1h5b s SER 42 CO 0.00 -1.75 0.84 -0.76 0.41 0.00 0.00 173.24 171.98 1h5b s LEU 43 N -5.70 5.51 -0.03 2.44 1.43 -1.26 -4.32 118.68 116.74 1h5b s LEU 43 Ca 0.60 -1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 51.60 1h5b s LEU 43 Cb -0.15 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1h5b s LEU 43 CO 0.55 -1.02 1.26 -0.63 0.23 0.00 0.00 176.35 176.74 1h5b s ILE 44 N 2.30 4.08 0.06 -0.59 -1.09 -0.32 -4.74 121.20 120.89 1h5b s ILE 44 Ca 0.19 1.43 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 1h5b s ILE 44 Cb -0.16 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1h5b s ILE 44 CO -0.00 0.01 1.41 -0.55 -1.23 0.00 0.00 174.94 174.58 1h5b s SER 45 N 1.56 6.82 -0.25 3.58 0.15 -1.26 -0.99 113.70 123.31 1h5b s SER 45 Ca 0.58 2.24 -0.05 0.00 0.70 0.00 0.00 55.95 59.43 1h5b s SER 45 Cb -0.27 -2.57 -0.17 0.00 -1.71 0.00 0.00 66.02 61.30 1h5b s SER 45 CO 0.24 -0.70 -0.18 0.18 1.20 0.00 0.00 173.24 173.98 1h5b n LEU 46 N 4.70 2.57 -3.68 3.45 4.77 0.20 -4.94 117.00 124.07 1h5b n LEU 46 Ca 0.12 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1h5b n LEU 46 Cb 0.43 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1h5b n LEU 46 CO 0.59 0.78 0.17 -0.36 -1.33 0.00 0.00 177.39 177.24 1h5b s PHE 47 N -2.51 -0.36 -0.11 -1.77 0.40 -1.11 -4.98 117.98 107.54 1h5b s PHE 47 Ca -0.34 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1h5b s PHE 47 Cb 0.10 0.20 0.02 0.00 0.51 0.00 0.00 43.02 43.86 1h5b s PHE 47 CO 0.59 -0.45 -0.11 -0.47 0.70 0.00 0.00 175.22 175.48 1h5b s TYR 48 N -1.15 1.64 -0.02 0.36 5.04 -1.26 -0.72 117.35 121.24 1h5b s TYR 48 Ca -0.12 -0.78 0.01 0.00 -2.44 0.00 0.00 57.07 53.74 1h5b s TYR 48 Cb -0.03 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 41.01 1h5b s TYR 48 CO 0.06 -0.48 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.24 1h5b s LEU 49 N 1.34 1.74 -0.00 6.97 1.02 -0.42 -4.99 118.68 124.34 1h5b s LEU 49 Ca -0.01 -0.09 0.07 0.00 0.02 0.00 0.00 54.13 54.13 1h5b s LEU 49 Cb -0.14 -0.29 -0.09 0.00 0.02 0.00 0.00 46.19 45.69 1h5b s LEU 49 CO -0.05 0.01 0.26 0.00 0.02 0.00 0.00 176.35 176.59 1h5b n ALA 50 N 3.36 2.70 -3.57 4.21 0.00 -1.26 -1.41 120.51 124.54 1h5b n ALA 50 Ca -0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.01 1h5b n ALA 50 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1h5b n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h5b s SER 51 N -2.13 -0.26 0.95 0.00 0.15 -1.26 -4.77 113.70 106.38 1h5b s SER 51 Ca 0.01 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1h5b s SER 51 Cb 0.05 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1h5b s SER 51 CO 0.31 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1h5b n GLY 52 N -0.27 2.41 3.10 9.45 0.00 -1.01 -4.72 105.19 114.16 1h5b n GLY 52 Ca -0.06 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 1h5b n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 53 N 0.00 0.97 -0.01 2.61 2.01 -1.26 -0.78 115.64 119.17 1h5b s THR 53 Ca 0.00 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1h5b s THR 53 Cb 0.00 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1h5b s THR 53 CO 0.00 0.05 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.41 1h5b s LYS 54 N -0.86 0.40 -0.01 4.92 1.02 -0.28 -5.01 119.74 119.90 1h5b s LYS 54 Ca 0.02 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.91 1h5b s LYS 54 Cb -0.07 -0.43 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1h5b s LYS 54 CO 0.01 0.03 -0.02 -1.83 -0.92 0.00 0.00 175.35 172.61 1h5b s GLU 55 N 0.25 0.30 -0.24 1.68 -1.05 -1.26 -0.97 118.70 117.40 1h5b s GLU 55 Ca -0.02 -0.04 -0.01 0.00 -0.15 0.00 0.00 54.97 54.75 1h5b s GLU 55 Cb -0.06 -0.36 0.07 0.00 -0.44 0.00 0.00 34.13 33.34 1h5b s GLU 55 CO -0.00 -0.02 0.01 -0.80 0.95 0.00 0.00 175.26 175.40 1h5b s ASN 56 N 0.41 3.61 1.78 0.83 0.01 -0.21 -5.01 114.94 116.36 1h5b s ASN 56 Ca -0.04 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 50.92 1h5b s ASN 56 Cb -0.07 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1h5b s ASN 56 CO -0.01 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 1h5b n GLY 57 N 4.82 2.92 0.01 0.66 0.00 -1.26 -2.14 105.19 110.19 1h5b n GLY 57 Ca -0.08 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.86 1h5b n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5b n ARG 58 N 13.57 0.49 -4.08 1.61 1.74 -1.26 -4.82 116.66 123.91 1h5b n ARG 58 Ca 0.00 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 1h5b n ARG 58 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1h5b n ARG 58 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h5b s LEU 59 N -2.52 3.99 -0.02 0.55 1.43 -0.91 -1.14 118.68 120.06 1h5b s LEU 59 Ca 0.30 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1h5b s LEU 59 Cb 0.20 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1h5b s LEU 59 CO 0.46 0.35 0.04 -0.75 0.23 0.00 0.00 176.35 176.67 1h5b s LYS 60 N -0.68 -0.02 0.08 1.70 2.20 -0.44 -1.05 119.74 121.53 1h5b s LYS 60 Ca 0.12 0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.99 1h5b s LYS 60 Cb -0.12 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 35.96 1h5b s LYS 60 CO 0.02 -0.15 -0.22 -1.54 -0.36 0.00 0.00 175.35 173.11 1h5b s SER 61 N 0.94 2.64 0.03 1.43 1.04 -0.14 0.70 113.70 120.34 1h5b s SER 61 Ca -0.08 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1h5b s SER 61 Cb -0.11 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1h5b s SER 61 CO -0.03 0.12 -0.05 0.00 0.98 0.00 0.00 173.24 174.26 1h5b s ALA 62 N -1.00 0.35 -0.33 5.32 0.00 -0.72 -1.13 121.76 124.26 1h5b s ALA 62 Ca 0.08 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1h5b s ALA 62 Cb -0.10 0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.30 1h5b s ALA 62 CO 0.03 -0.14 0.37 0.12 0.00 0.00 0.00 175.76 176.15 1h5b s PHE 63 N -1.78 -0.61 -0.29 0.00 5.99 0.04 -2.31 117.98 119.02 1h5b s PHE 63 Ca -0.10 -0.27 -0.35 0.00 0.00 0.00 0.00 56.93 56.21 1h5b s PHE 63 Cb -0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 43.02 42.51 1h5b s PHE 63 CO -0.02 -0.97 2.11 -3.47 -0.00 0.00 0.00 175.22 172.87 1h5b n ASP 64 N 4.88 2.45 0.22 6.13 2.03 -1.26 -2.41 116.55 128.60 1h5b n ASP 64 Ca 0.04 0.53 0.16 0.00 0.52 0.00 0.00 54.79 56.04 1h5b n ASP 64 Cb 0.47 -1.29 0.72 0.00 -0.72 0.00 0.00 41.12 40.30 1h5b n ASP 64 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1h5b h SER 65 N 11.71 0.00 0.00 1.67 0.87 -1.91 -1.75 113.55 124.14 1h5b h SER 65 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1h5b h SER 65 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1h5b h SER 65 CO 1.00 0.00 -0.21 0.11 -0.53 0.00 0.00 176.83 177.20 1h5b h LYS 66 N 0.00 0.00 0.03 2.24 1.57 -1.97 -3.42 116.57 115.03 1h5b h LYS 66 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h5b h LYS 66 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1h5b h LYS 66 CO 0.00 0.00 -0.02 0.93 -0.57 0.00 0.00 179.45 179.79 1h5b h GLU 67 N -0.81 -0.04 -4.03 3.15 4.39 -1.98 -3.48 114.58 111.78 1h5b h GLU 67 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 1h5b h GLU 67 Cb 0.21 0.01 0.06 0.00 -0.10 0.00 0.00 28.75 28.92 1h5b h GLU 67 CO 0.00 0.48 -0.54 0.54 -1.16 0.00 0.00 179.01 178.33 1h5b n ARG 68 N -4.85 -4.43 0.00 2.33 1.74 -0.66 -4.84 116.66 105.95 1h5b n ARG 68 Ca -0.09 0.81 0.05 0.00 -0.77 0.00 0.00 57.85 57.85 1h5b n ARG 68 Cb 0.28 -5.46 0.02 0.00 -1.02 0.00 0.00 32.46 26.28 1h5b n ARG 68 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1h5b n ARG 69 N -3.68 1.31 -3.66 5.56 5.12 -1.26 -2.70 116.66 117.35 1h5b n ARG 69 Ca -0.10 -0.85 -0.06 0.00 -1.93 0.00 0.00 57.85 54.91 1h5b n ARG 69 Cb 0.61 -1.13 -0.02 0.00 -1.16 0.00 0.00 32.46 30.75 1h5b n ARG 69 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1h5b s TYR 70 N -1.12 -0.24 -0.00 -1.55 1.13 -1.26 -0.49 117.35 113.81 1h5b s TYR 70 Ca 0.10 -0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.68 1h5b s TYR 70 Cb 0.08 0.61 0.00 0.00 -1.10 0.00 0.00 41.96 41.55 1h5b s TYR 70 CO 0.19 -0.81 0.12 0.45 -2.51 0.00 0.00 175.55 172.99 1h5b s SER 71 N -2.79 0.03 0.09 -0.18 0.15 0.24 -4.30 113.70 106.94 1h5b s SER 71 Ca 0.09 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.63 1h5b s SER 71 Cb -0.02 0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1h5b s SER 71 CO -0.02 -0.32 -0.20 0.42 1.20 0.00 0.00 173.24 174.32 1h5b s THR 72 N -1.21 1.61 -0.14 6.45 -4.23 -0.98 -0.60 115.64 116.55 1h5b s THR 72 Ca -0.13 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1h5b s THR 72 Cb -0.07 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.33 1h5b s THR 72 CO 0.01 -0.03 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.72 1h5b s LEU 73 N -1.73 1.58 -0.13 4.79 2.96 0.27 -1.75 118.68 124.66 1h5b s LEU 73 Ca 0.05 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1h5b s LEU 73 Cb -0.10 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1h5b s LEU 73 CO 0.03 -0.08 0.03 -1.00 -1.32 0.00 0.00 176.35 174.01 1h5b s HIS 74 N 1.55 3.22 -0.25 5.38 3.76 0.22 -0.05 115.29 129.12 1h5b s HIS 74 Ca 0.05 0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1h5b s HIS 74 Cb -0.13 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1h5b s HIS 74 CO -0.10 0.31 -0.08 0.42 -0.85 0.00 0.00 174.74 174.44 1h5b s ILE 75 N -0.28 2.65 0.06 0.60 1.01 0.01 -1.33 121.20 123.91 1h5b s ILE 75 Ca 0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1h5b s ILE 75 Cb -0.12 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1h5b s ILE 75 CO 0.02 0.18 0.25 -0.13 0.00 0.00 0.00 174.94 175.26 1h5b s ARG 76 N 1.27 3.50 -1.26 2.79 0.52 -0.29 -1.11 118.95 124.37 1h5b s ARG 76 Ca -0.01 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.70 1h5b s ARG 76 Cb -0.17 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.31 1h5b s ARG 76 CO -0.05 0.60 0.59 -3.47 0.02 0.00 0.00 175.30 172.98 1h5b n ASP 77 N 0.49 -3.27 -4.54 0.23 2.03 -1.22 -4.74 116.55 105.52 1h5b n ASP 77 Ca -0.06 -1.18 -0.56 0.00 0.52 0.00 0.00 54.79 53.51 1h5b n ASP 77 Cb 0.52 -2.32 -0.07 0.00 -0.72 0.00 0.00 41.12 38.53 1h5b n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h5b n ALA 78 N -4.67 -2.35 -2.64 -1.67 0.00 -0.25 -4.34 120.51 104.59 1h5b n ALA 78 Ca -0.16 0.56 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 1h5b n ALA 78 Cb 0.60 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1h5b n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1h5b s GLN 79 N 0.25 2.28 0.36 0.00 -1.52 -1.26 0.54 119.66 120.31 1h5b s GLN 79 Ca 0.88 -1.37 0.09 0.00 -1.95 0.00 0.00 55.36 53.01 1h5b s GLN 79 Cb -1.12 -2.18 0.83 0.00 -0.22 0.00 0.00 33.01 30.33 1h5b s GLN 79 CO 0.52 0.38 1.88 -0.07 -0.25 0.00 0.00 175.29 177.75 1h5b h LEU 80 N 2.05 0.63 0.00 2.90 3.38 -1.94 -0.38 115.31 121.95 1h5b h LEU 80 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1h5b h LEU 80 Cb 1.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h5b h LEU 80 CO 0.60 0.33 0.00 -1.84 0.09 0.00 0.00 178.44 177.61 1h5b n GLU 81 N -4.54 0.60 0.03 1.13 0.00 -1.26 -2.58 120.64 114.01 1h5b n GLU 81 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.45 1h5b n GLU 81 Cb 0.45 -1.49 0.29 0.00 0.00 0.00 0.00 31.44 30.69 1h5b n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1h5b n ASP 82 N -0.99 0.51 -4.74 -1.84 8.00 -0.15 -4.90 116.55 112.44 1h5b n ASP 82 Ca 0.14 0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 1h5b n ASP 82 Cb 0.06 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1h5b n ASP 82 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1h5b n SER 83 N -1.76 3.18 0.00 -2.24 7.64 -1.07 -4.89 113.62 114.48 1h5b n SER 83 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1h5b n SER 83 Cb 0.38 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1h5b n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h5b n GLY 84 N 0.63 -1.58 3.47 0.23 0.00 -0.36 -4.95 105.19 102.63 1h5b n GLY 84 Ca 0.04 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1h5b n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 85 N -2.48 4.39 -0.22 2.61 2.01 -0.35 -0.35 115.64 121.26 1h5b s THR 85 Ca 0.00 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 1h5b s THR 85 Cb 0.00 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1h5b s THR 85 CO 0.00 0.34 0.14 -0.31 -0.69 0.00 0.00 174.62 174.10 1h5b s TYR 86 N 1.54 3.36 0.04 4.92 1.51 0.52 -0.45 117.35 128.78 1h5b s TYR 86 Ca 0.06 0.26 0.09 0.00 -1.01 0.00 0.00 57.07 56.48 1h5b s TYR 86 Cb -0.15 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1h5b s TYR 86 CO 0.04 0.17 -0.26 -0.06 -1.11 0.00 0.00 175.55 174.33 1h5b s PHE 87 N 0.71 2.30 -0.01 2.71 0.40 0.08 -0.38 117.98 123.78 1h5b s PHE 87 Ca 0.08 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1h5b s PHE 87 Cb -0.12 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1h5b s PHE 87 CO 0.01 0.11 -0.23 0.00 0.70 0.00 0.00 175.22 175.81 1h5b s ALA 89 N -0.69 0.26 0.07 0.00 0.00 -0.13 -0.28 121.76 120.99 1h5b s ALA 89 Ca 0.11 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.15 1h5b s ALA 89 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1h5b s ALA 89 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 175.76 175.60 1h5b s ALA 90 N 0.40 2.71 -0.18 0.00 0.00 -0.09 -0.37 121.76 124.24 1h5b s ALA 90 Ca -0.04 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1h5b s ALA 90 Cb -0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1h5b s ALA 90 CO -0.01 0.59 0.29 -1.21 0.00 0.00 0.00 175.76 175.43 1h5b s GLU 91 N -1.76 4.23 0.46 0.00 2.02 -0.41 -0.70 118.70 122.54 1h5b s GLU 91 Ca 0.17 0.07 -0.24 0.00 0.02 0.00 0.00 54.97 54.98 1h5b s GLU 91 Cb -0.11 -3.45 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 1h5b s GLU 91 CO 0.08 0.18 1.34 0.00 0.02 0.00 0.00 175.26 176.89 1h5b s ALA 92 N 0.64 3.10 0.19 5.21 0.00 -0.73 -0.90 121.76 129.27 1h5b s ALA 92 Ca 0.16 1.30 0.13 0.00 0.00 0.00 0.00 51.96 53.55 1h5b s ALA 92 Cb -0.13 -3.53 0.38 0.00 0.00 0.00 0.00 23.12 19.84 1h5b s ALA 92 CO 0.04 -1.07 1.60 1.03 0.00 0.00 0.00 175.76 177.36 1h5b h SER 93 N 2.17 0.00 -2.02 0.00 0.87 -1.89 -3.35 113.55 109.33 1h5b h SER 93 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1h5b h SER 93 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1h5b h SER 93 CO 0.60 0.57 0.00 -1.54 -0.53 0.00 0.00 176.83 175.94 1h5b n SER 94 N -3.62 0.37 0.00 6.23 3.41 -1.26 -4.83 113.62 113.92 1h5b n SER 94 Ca -0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1h5b n SER 94 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1h5b n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h5b n GLY 95 N 5.00 1.97 1.81 5.00 0.00 -1.26 -1.19 105.19 116.53 1h5b n GLY 95 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1h5b n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h5b n SER 96 N -0.89 4.37 -3.77 1.61 3.41 -1.26 -4.88 113.62 112.20 1h5b n SER 96 Ca 0.00 -3.01 -0.25 0.00 -0.26 0.00 0.00 58.87 55.35 1h5b n SER 96 Cb 0.00 -0.71 0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1h5b n SER 96 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1h5b n TRP 97 N -0.08 -2.09 -2.02 7.33 8.01 -0.33 -4.92 117.44 123.34 1h5b n TRP 97 Ca 0.34 0.87 -0.36 0.00 -1.31 0.00 0.00 57.50 57.05 1h5b n TRP 97 Cb 1.23 -4.27 0.03 0.00 -2.01 0.00 0.00 31.31 26.28 1h5b n TRP 97 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 1h5b s GLN 98 N -6.22 3.00 -0.07 -0.99 -2.07 -1.26 -4.21 119.66 107.83 1h5b s GLN 98 Ca 0.26 1.77 -0.26 0.00 -1.82 0.00 0.00 55.36 55.31 1h5b s GLN 98 Cb -0.13 -1.94 -0.03 0.00 -1.09 0.00 0.00 33.01 29.82 1h5b s GLN 98 CO 0.82 -1.17 0.83 -0.51 -1.32 0.00 0.00 175.29 173.93 1h5b s LEU 99 N -4.10 4.29 -0.17 2.60 1.43 -1.26 -1.78 118.68 119.69 1h5b s LEU 99 Ca 0.76 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1h5b s LEU 99 Cb -0.29 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1h5b s LEU 99 CO 0.33 -0.24 -0.14 -0.63 0.23 0.00 0.00 176.35 175.89 1h5b s ILE 100 N 1.25 2.64 0.06 -0.59 1.01 0.12 -4.93 121.20 120.77 1h5b s ILE 100 Ca 0.42 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1h5b s ILE 100 Cb -0.18 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 1h5b s ILE 100 CO 0.19 0.50 0.41 -0.36 0.00 0.00 0.00 174.94 175.69 1h5b s PHE 101 N 1.08 3.63 0.81 3.97 0.40 -1.26 -0.91 117.98 125.70 1h5b s PHE 101 Ca -0.00 0.87 -0.12 0.00 -0.60 0.00 0.00 56.93 57.08 1h5b s PHE 101 Cb -0.14 -2.21 0.09 0.00 0.51 0.00 0.00 43.02 41.27 1h5b s PHE 101 CO -0.04 0.55 1.17 0.20 0.70 0.00 0.00 175.22 177.80 1h5b s GLY 102 N -1.56 1.63 0.25 4.36 0.00 0.61 -4.78 107.32 107.83 1h5b s GLY 102 Ca 0.31 -0.77 0.24 0.00 0.00 0.00 0.00 44.72 44.50 1h5b s GLY 102 CO 0.17 -0.26 1.73 -1.14 0.00 0.00 0.00 173.10 173.59 1h5b n SER 103 N -3.31 0.70 0.00 1.64 3.41 -1.26 -4.75 113.62 110.05 1h5b n SER 103 Ca 0.09 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1h5b n SER 103 Cb 0.61 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1h5b n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h5b n GLY 104 N 0.22 1.44 2.89 5.00 0.00 -1.26 -5.03 105.19 108.45 1h5b n GLY 104 Ca 0.03 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1h5b n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h5b s THR 105 N -2.62 0.96 -0.32 2.61 2.01 0.49 -4.62 115.64 114.15 1h5b s THR 105 Ca 0.00 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 1h5b s THR 105 Cb 0.00 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 1h5b s THR 105 CO 0.00 0.36 0.73 -1.58 -0.69 0.00 0.00 174.62 173.44 1h5b s GLN 106 N 1.71 3.88 -0.21 4.92 2.00 -0.08 -0.35 119.66 131.53 1h5b s GLN 106 Ca 0.05 0.41 -0.06 0.00 -2.00 0.00 0.00 55.36 53.75 1h5b s GLN 106 Cb -0.13 -3.75 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 1h5b s GLN 106 CO -0.08 -0.69 0.04 -1.17 -0.50 0.00 0.00 175.29 172.90 1h5b s LEU 107 N 2.87 3.51 -0.20 3.68 2.96 0.53 -1.60 118.68 130.43 1h5b s LEU 107 Ca 0.29 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1h5b s LEU 107 Cb -0.14 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1h5b s LEU 107 CO 0.13 0.08 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.18 1h5b s THR 108 N 0.93 2.08 -0.24 3.68 2.01 -0.72 -1.22 115.64 122.18 1h5b s THR 108 Ca 0.03 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.78 1h5b s THR 108 Cb -0.14 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1h5b s THR 108 CO 0.02 0.36 0.12 -0.69 -0.69 0.00 0.00 174.62 173.74 1h5b s VAL 109 N 1.24 4.98 -0.02 3.82 1.01 -1.26 -1.58 120.40 128.59 1h5b s VAL 109 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1h5b s VAL 109 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1h5b s VAL 109 CO -0.10 0.35 0.17 -0.04 0.00 0.00 0.00 175.10 175.48 1h5b s MET 110 N 1.14 3.41 0.62 2.72 -1.94 0.43 -4.82 119.30 120.87 1h5b s MET 110 Ca 0.06 -0.32 -0.18 0.00 -1.71 0.00 0.00 55.69 53.54 1h5b s MET 110 Cb -0.14 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1h5b s MET 110 CO 0.05 0.68 1.22 -1.25 -0.01 0.00 0.00 175.02 175.71 1h5b s PRO 111 N -1.85 2.81 0.08 2.03 0.04 -1.26 -0.68 135.00 136.17 1h5b s PRO 111 Ca 0.26 1.85 -0.32 0.00 0.04 0.00 0.00 61.00 62.83 1h5b s PRO 111 Cb -0.13 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1h5b s PRO 111 CO 0.17 -1.34 1.85 0.28 0.04 0.00 0.00 177.00 178.00 1h5b n VAL 112 N -1.78 0.43 -0.04 -0.36 0.31 -1.26 -4.73 118.33 110.89 1h5b n VAL 112 Ca 0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1h5b n VAL 112 Cb 0.49 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1h5b n VAL 112 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58