#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 -3.26 -3.81 1.61 10.43 -1.26 -5.08 116.55 115.18 1h5b n ASP 2 Ca 0.00 0.99 -0.13 0.00 2.57 0.00 0.00 54.79 58.22 1h5b n ASP 2 Cb 0.00 -4.07 -0.13 0.00 1.84 0.00 0.00 41.12 38.76 1h5b n ASP 2 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1h5b s GLN 3 N -0.95 0.16 -0.17 -1.24 -1.52 -1.26 -5.04 119.66 109.65 1h5b s GLN 3 Ca -0.12 0.25 -0.01 0.00 -1.95 0.00 0.00 55.36 53.54 1h5b s GLN 3 Cb 0.01 0.04 -0.00 0.00 -0.22 0.00 0.00 33.01 32.83 1h5b s GLN 3 CO 0.57 -0.05 -0.13 0.08 -0.25 0.00 0.00 175.29 175.51 1h5b s VAL 4 N 0.30 2.84 -0.22 1.09 1.01 -1.26 -2.68 120.40 121.48 1h5b s VAL 4 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1h5b s VAL 4 Cb -0.03 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1h5b s VAL 4 CO -0.01 0.50 -0.14 -0.70 0.00 0.00 0.00 175.10 174.75 1h5b s GLU 5 N 0.90 2.43 0.12 2.72 -6.30 -0.18 -4.61 118.70 113.77 1h5b s GLU 5 Ca -0.03 -1.03 -0.12 0.00 -2.50 0.00 0.00 54.97 51.29 1h5b s GLU 5 Cb -0.15 -2.64 -0.06 0.00 0.00 0.00 0.00 34.13 31.27 1h5b s GLU 5 CO -0.01 -0.41 0.47 -0.65 0.02 0.00 0.00 175.26 174.69 1h5b s GLN 6 N 1.25 3.86 -0.10 4.30 -0.21 -1.26 -1.11 119.66 126.39 1h5b s GLN 6 Ca -0.02 0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.57 1h5b s GLN 6 Cb -0.17 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 30.92 1h5b s GLN 6 CO -0.09 0.51 0.30 -1.54 -2.12 0.00 0.00 175.29 172.36 1h5b s SER 7 N -1.76 -0.29 0.85 5.90 1.04 -0.45 -4.45 113.70 114.54 1h5b s SER 7 Ca 0.36 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 1h5b s SER 7 Cb -0.14 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.68 1h5b s SER 7 CO 0.19 -0.16 1.20 -2.16 0.98 0.00 0.00 173.24 173.28 1h5b s PRO 8 N -0.10 1.43 0.12 4.02 0.04 -1.26 -0.64 135.00 138.62 1h5b s PRO 8 Ca -0.02 -0.24 -0.03 0.00 0.04 0.00 0.00 61.00 60.75 1h5b s PRO 8 Cb -0.03 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1h5b s PRO 8 CO 0.01 -1.87 1.28 0.77 0.04 0.00 0.00 177.00 177.23 1h5b h SER 9 N -1.20 0.43 -4.64 6.66 0.02 -1.84 -3.42 113.55 109.57 1h5b h SER 9 Ca -0.44 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.02 1h5b h SER 9 Cb 1.28 -0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.48 1h5b h SER 9 CO 0.52 1.20 -0.18 0.00 -1.14 0.00 0.00 176.83 177.23 1h5b s ALA 10 N -3.10 -1.03 -0.11 3.77 0.00 -1.26 -1.81 121.76 118.21 1h5b s ALA 10 Ca -0.05 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1h5b s ALA 10 Cb 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1h5b s ALA 10 CO 0.86 -0.26 0.51 -0.48 0.00 0.00 0.00 175.76 176.40 1h5b s LEU 11 N -0.81 0.03 -0.05 0.00 2.34 -0.66 -4.95 118.68 114.58 1h5b s LEU 11 Ca -0.09 0.73 0.04 0.00 0.06 0.00 0.00 54.13 54.87 1h5b s LEU 11 Cb -0.04 1.87 -0.00 0.00 -0.56 0.00 0.00 46.19 47.46 1h5b s LEU 11 CO 0.04 -0.36 -0.17 -0.44 -1.06 0.00 0.00 176.35 174.36 1h5b s SER 12 N -0.51 2.15 0.05 1.48 0.01 -1.26 -1.20 113.70 114.41 1h5b s SER 12 Ca -0.06 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 1h5b s SER 12 Cb -0.03 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 1h5b s SER 12 CO 0.04 0.13 0.11 -1.48 0.41 0.00 0.00 173.24 172.46 1h5b s LEU 13 N 0.16 1.75 0.46 2.44 0.05 -0.40 -4.97 118.68 118.17 1h5b s LEU 13 Ca -0.07 -0.58 -0.21 0.00 0.05 0.00 0.00 54.13 53.33 1h5b s LEU 13 Cb -0.13 0.68 -0.09 0.00 -2.05 0.00 0.00 46.19 44.60 1h5b s LEU 13 CO 0.03 -0.56 1.02 -1.00 -0.55 0.00 0.00 176.35 175.29 1h5b s HIS 14 N -2.94 3.12 0.47 3.48 3.76 -1.26 -0.79 115.29 121.14 1h5b s HIS 14 Ca -0.02 1.60 -0.25 0.00 -0.15 0.00 0.00 55.06 56.24 1h5b s HIS 14 Cb 0.01 -3.02 -0.08 0.00 1.11 0.00 0.00 32.58 30.60 1h5b s HIS 14 CO -0.06 -0.61 1.42 -1.83 -0.85 0.00 0.00 174.74 172.81 1h5b s GLU 15 N -3.09 3.58 0.00 1.40 -1.05 0.22 -2.40 118.70 117.35 1h5b s GLU 15 Ca 0.64 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.85 1h5b s GLU 15 Cb -0.15 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 1h5b s GLU 15 CO 0.19 -0.89 0.00 0.41 0.95 0.00 0.00 175.26 175.92 1h5b n GLY 16 N 0.60 1.68 3.88 -3.83 0.00 0.91 -4.89 105.19 103.55 1h5b n GLY 16 Ca 0.06 0.00 -0.30 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 -2.37 4.80 0.00 2.61 2.01 -1.01 -4.00 115.64 117.68 1h5b s THR 17 Ca 0.00 0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1h5b s THR 17 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1h5b s THR 17 CO 0.00 -0.73 -0.01 -1.81 -0.69 0.00 0.00 174.62 171.39 1h5b s ASP 18 N -3.60 5.06 0.22 3.53 1.01 -1.26 -0.98 116.67 120.65 1h5b s ASP 18 Ca 0.51 -0.03 -0.10 0.00 0.71 0.00 0.00 52.55 53.64 1h5b s ASP 18 Cb -0.10 -1.30 -0.01 0.00 1.01 0.00 0.00 42.92 42.52 1h5b s ASP 18 CO 0.39 0.27 0.37 -0.55 0.21 0.00 0.00 175.17 175.86 1h5b s SER 19 N -1.59 -0.02 -0.01 0.27 0.15 0.21 -4.99 113.70 107.73 1h5b s SER 19 Ca 0.20 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1h5b s SER 19 Cb -0.11 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1h5b s SER 19 CO 0.10 -1.03 -0.01 0.00 1.20 0.00 0.00 173.24 173.51 1h5b s ALA 20 N -4.04 0.15 0.11 5.45 0.00 -1.26 -0.74 121.76 121.43 1h5b s ALA 20 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.26 1h5b s ALA 20 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1h5b s ALA 20 CO 0.08 0.01 0.06 -0.51 0.00 0.00 0.00 175.76 175.39 1h5b s LEU 21 N 0.21 3.64 0.02 0.00 1.43 0.11 -4.75 118.68 119.33 1h5b s LEU 21 Ca -0.02 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1h5b s LEU 21 Cb -0.04 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1h5b s LEU 21 CO -0.01 0.14 -0.13 -0.60 0.23 0.00 0.00 176.35 175.98 1h5b s ARG 22 N -2.59 0.93 -0.21 1.70 3.52 0.18 -0.96 118.95 121.52 1h5b s ARG 22 Ca 0.28 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1h5b s ARG 22 Cb -0.11 -0.91 0.05 0.00 -1.56 0.00 0.00 34.95 32.41 1h5b s ARG 22 CO 0.21 0.23 -0.10 0.00 -0.81 0.00 0.00 175.30 174.83 1h5b s ASN 24 N 1.34 5.29 0.02 0.00 0.01 -0.27 -0.86 114.94 120.47 1h5b s ASN 24 Ca -0.03 0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.32 1h5b s ASN 24 Cb -0.17 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 1h5b s ASN 24 CO -0.08 0.35 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.34 1h5b s PHE 25 N -0.70 2.62 -0.60 2.20 2.99 0.16 -1.02 117.98 123.64 1h5b s PHE 25 Ca 0.11 -0.22 0.25 0.00 0.00 0.00 0.00 56.93 57.07 1h5b s PHE 25 Cb -0.12 -1.51 0.59 0.00 0.00 0.00 0.00 43.02 41.98 1h5b s PHE 25 CO 0.02 0.24 1.70 1.79 -0.00 0.00 0.00 175.22 178.97 1h5b h THR 26 N 4.02 0.00 -4.27 0.64 1.35 -1.79 -3.45 112.91 109.41 1h5b h THR 26 Ca -0.47 -0.72 -0.17 0.00 -0.55 0.00 0.00 66.41 64.50 1h5b h THR 26 Cb 1.15 1.71 -0.14 0.00 -1.73 0.00 0.00 68.15 69.15 1h5b h THR 26 CO 0.49 0.00 -0.50 0.42 -0.25 0.00 0.00 175.52 175.68 1h5b s THR 27 N -3.15 0.04 0.30 6.82 -4.23 -1.26 -4.99 115.64 109.17 1h5b s THR 27 Ca 0.09 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 58.53 1h5b s THR 27 Cb 0.09 -2.19 -0.12 0.00 1.34 0.00 0.00 72.50 71.62 1h5b s THR 27 CO 0.63 -0.19 1.55 0.35 -0.54 0.00 0.00 174.62 176.41 1h5b n THR 28 N -0.22 1.19 -4.86 3.99 -2.24 -1.26 -4.73 114.28 106.14 1h5b n THR 28 Ca -0.03 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1h5b n THR 28 Cb 0.64 -1.89 -0.14 0.00 -2.10 0.00 0.00 70.33 66.84 1h5b n THR 28 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1h5b s MET 29 N -0.77 1.86 0.08 -0.78 1.00 -1.08 -2.80 119.30 116.81 1h5b s MET 29 Ca 0.63 -1.08 -0.13 0.00 0.00 0.00 0.00 55.69 55.10 1h5b s MET 29 Cb -0.51 -2.02 -0.22 0.00 0.00 0.00 0.00 34.83 32.07 1h5b s MET 29 CO 0.51 0.52 1.20 0.00 0.00 0.00 0.00 175.02 177.25 1h5b h ARG 30 N 4.75 0.68 -3.36 2.03 3.08 -0.88 -3.45 114.38 117.23 1h5b h ARG 30 Ca -0.47 -0.73 -0.03 0.00 0.07 0.00 0.00 59.98 58.82 1h5b h ARG 30 Cb 1.14 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 31.30 1h5b h ARG 30 CO 0.44 1.31 -0.00 -1.54 -1.07 0.00 0.00 179.97 179.11 1h5b s SER 31 N -7.28 -0.23 0.04 7.04 1.04 -1.22 -4.50 113.70 108.59 1h5b s SER 31 Ca -0.09 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1h5b s SER 31 Cb 0.07 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1h5b s SER 31 CO 0.92 -1.04 -0.09 -0.69 0.98 0.00 0.00 173.24 173.32 1h5b s VAL 32 N -3.88 0.64 -0.02 5.02 1.01 0.16 -1.87 120.40 121.45 1h5b s VAL 32 Ca 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1h5b s VAL 32 Cb -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1h5b s VAL 32 CO -0.02 -0.29 -0.00 -1.58 0.00 0.00 0.00 175.10 173.21 1h5b s GLN 33 N -1.43 0.20 -0.10 2.72 0.74 -0.05 -1.03 119.66 120.71 1h5b s GLN 33 Ca -0.07 0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 1h5b s GLN 33 Cb -0.09 -0.35 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 1h5b s GLN 33 CO 0.01 -0.09 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.04 1h5b s TRP 34 N 0.73 3.04 0.20 1.67 0.52 -0.04 -0.52 118.94 124.53 1h5b s TRP 34 Ca -0.07 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.08 1h5b s TRP 34 Cb -0.10 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.36 1h5b s TRP 34 CO -0.01 0.26 -0.06 -0.06 0.02 0.00 0.00 176.95 177.10 1h5b s PHE 35 N -0.47 1.46 -0.05 -1.98 0.40 0.13 0.21 117.98 117.69 1h5b s PHE 35 Ca 0.08 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1h5b s PHE 35 Cb -0.12 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.63 1h5b s PHE 35 CO 0.02 0.06 -0.09 0.50 0.70 0.00 0.00 175.22 176.40 1h5b s ARG 36 N -3.79 1.32 -0.05 0.44 3.52 0.10 -0.79 118.95 119.70 1h5b s ARG 36 Ca 0.23 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1h5b s ARG 36 Cb 0.04 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.26 1h5b s ARG 36 CO 0.05 0.00 -0.25 -1.14 -0.81 0.00 0.00 175.30 173.16 1h5b s GLN 37 N 0.68 2.47 -0.05 5.12 0.74 0.04 -0.75 119.66 127.90 1h5b s GLN 37 Ca -0.12 -0.91 0.05 0.00 0.05 0.00 0.00 55.36 54.43 1h5b s GLN 37 Cb -0.15 -2.13 -0.00 0.00 1.10 0.00 0.00 33.01 31.83 1h5b s GLN 37 CO 0.02 0.41 -0.19 -0.80 -0.55 0.00 0.00 175.29 174.18 1h5b s ASN 38 N -0.24 2.45 -0.57 6.67 0.01 -1.26 -1.13 114.94 120.87 1h5b s ASN 38 Ca -0.01 -0.41 -0.05 0.00 -0.71 0.00 0.00 52.86 51.68 1h5b s ASN 38 Cb -0.13 -0.75 0.01 0.00 0.41 0.00 0.00 41.25 40.78 1h5b s ASN 38 CO 0.03 0.17 0.39 -1.54 -1.51 0.00 0.00 177.10 174.64 1h5b n SER 39 N 3.18 -2.93 -3.78 -1.22 3.41 -1.26 -0.81 113.62 110.22 1h5b n SER 39 Ca -0.18 -0.67 -0.29 0.00 -0.26 0.00 0.00 58.87 57.47 1h5b n SER 39 Cb 0.53 -1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1h5b n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h5b n ARG 40 N -2.20 -2.93 0.00 4.33 3.00 -1.26 -4.95 116.66 112.64 1h5b n ARG 40 Ca -0.18 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.01 1h5b n ARG 40 Cb 0.42 -5.04 0.00 0.00 0.00 0.00 0.00 32.46 27.84 1h5b n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h5b n GLY 41 N -1.18 1.66 3.74 -0.13 0.00 0.01 -5.08 105.19 104.21 1h5b n GLY 41 Ca 0.04 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 3.79 -0.57 1.61 0.01 -1.26 -4.77 113.70 111.51 1h5b s SER 42 Ca 0.00 1.52 -0.18 0.00 1.31 0.00 0.00 55.95 58.60 1h5b s SER 42 Cb 0.00 -2.22 0.11 0.00 0.21 0.00 0.00 66.02 64.12 1h5b s SER 42 CO 0.00 -2.44 0.63 -0.76 0.41 0.00 0.00 173.24 171.08 1h5b s LEU 43 N -6.11 5.59 0.01 2.44 1.02 -1.26 -4.34 118.68 116.03 1h5b s LEU 43 Ca 0.63 -1.50 -0.30 0.00 0.02 0.00 0.00 54.13 52.98 1h5b s LEU 43 Cb -0.17 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.71 1h5b s LEU 43 CO 0.56 -1.01 1.20 -0.63 0.02 0.00 0.00 176.35 176.49 1h5b s ILE 44 N 2.34 4.15 0.10 -0.59 -1.09 0.07 -4.75 121.20 121.44 1h5b s ILE 44 Ca 0.09 1.52 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 1h5b s ILE 44 Cb -0.25 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 1h5b s ILE 44 CO 0.06 0.06 1.23 -0.55 -1.23 0.00 0.00 174.94 174.51 1h5b s SER 45 N 1.27 7.04 -0.26 3.58 0.15 -1.26 -0.72 113.70 123.51 1h5b s SER 45 Ca 0.57 2.12 -0.08 0.00 0.70 0.00 0.00 55.95 59.27 1h5b s SER 45 Cb -0.27 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.32 1h5b s SER 45 CO 0.26 -0.47 -0.30 0.18 1.20 0.00 0.00 173.24 174.11 1h5b n LEU 46 N 3.56 2.27 -3.67 3.45 4.77 0.13 -4.93 117.00 122.58 1h5b n LEU 46 Ca 0.08 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1h5b n LEU 46 Cb 0.45 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 1h5b n LEU 46 CO 0.56 0.68 0.21 -0.36 -1.33 0.00 0.00 177.39 177.16 1h5b s PHE 47 N -2.49 -0.48 -0.10 -1.77 0.40 -1.14 -4.99 117.98 107.42 1h5b s PHE 47 Ca -0.36 0.98 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1h5b s PHE 47 Cb 0.12 0.22 0.01 0.00 0.51 0.00 0.00 43.02 43.89 1h5b s PHE 47 CO 0.50 -0.40 -0.16 -0.47 0.70 0.00 0.00 175.22 175.39 1h5b s TYR 48 N -0.61 1.97 -0.07 0.36 5.04 -1.26 -0.86 117.35 121.91 1h5b s TYR 48 Ca -0.07 -0.85 -0.08 0.00 -2.44 0.00 0.00 57.07 53.63 1h5b s TYR 48 Cb -0.03 -1.39 0.02 0.00 0.35 0.00 0.00 41.96 40.91 1h5b s TYR 48 CO 0.04 -0.41 0.21 -0.51 -1.34 0.00 0.00 175.55 173.54 1h5b s LEU 49 N 0.76 1.21 0.00 6.97 1.02 -0.20 -5.01 118.68 123.42 1h5b s LEU 49 Ca -0.11 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.49 1h5b s LEU 49 Cb -0.16 0.74 -0.08 0.00 0.02 0.00 0.00 46.19 46.70 1h5b s LEU 49 CO 0.02 -0.10 0.36 0.00 0.02 0.00 0.00 176.35 176.65 1h5b n ALA 50 N 2.83 3.04 -3.75 4.21 0.00 -1.26 -0.67 120.51 124.92 1h5b n ALA 50 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1h5b n ALA 50 Cb 0.58 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.74 -0.06 0.97 0.00 0.15 -1.26 -4.74 113.70 107.02 1h5b s SER 51 Ca 0.03 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1h5b s SER 51 Cb 0.06 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1h5b s SER 51 CO 0.33 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1h5b n GLY 52 N -0.58 2.10 3.11 9.45 0.00 -1.07 -4.72 105.19 113.47 1h5b n GLY 52 Ca -0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1h5b n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h5b s THR 53 N 0.00 0.24 -0.03 2.61 -4.23 -1.26 -0.92 115.64 112.04 1h5b s THR 53 Ca 0.00 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1h5b s THR 53 Cb 0.00 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1h5b s THR 53 CO 0.00 -0.85 0.08 -0.54 -0.54 0.00 0.00 174.62 172.77 1h5b s LYS 54 N -3.94 0.10 0.00 3.99 1.02 -0.52 -5.00 119.74 115.39 1h5b s LYS 54 Ca 0.12 0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.25 1h5b s LYS 54 Cb 0.08 0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1h5b s LYS 54 CO -0.06 -0.01 -0.08 -2.00 -0.92 0.00 0.00 175.35 172.27 1h5b s GLU 55 N 0.07 0.65 -0.25 1.68 2.12 -1.26 -0.51 118.70 121.20 1h5b s GLU 55 Ca -0.00 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 1h5b s GLU 55 Cb -0.01 -0.61 0.13 0.00 0.26 0.00 0.00 34.13 33.90 1h5b s GLU 55 CO 0.00 0.16 0.45 1.21 -0.54 0.00 0.00 175.26 176.55 1h5b s ASN 56 N -0.45 -0.33 1.69 -1.70 2.47 0.40 -5.00 114.94 112.00 1h5b s ASN 56 Ca 0.01 0.68 0.00 0.00 0.42 0.00 0.00 52.86 53.97 1h5b s ASN 56 Cb -0.04 1.49 0.00 0.00 -1.45 0.00 0.00 41.25 41.24 1h5b s ASN 56 CO -0.00 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 1h5b n GLY 57 N 5.39 2.72 0.56 1.21 0.00 -1.26 -1.78 105.19 112.03 1h5b n GLY 57 Ca -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 13.48 1.73 -4.44 1.61 1.74 -1.26 -4.87 116.66 124.64 1h5b n ARG 58 Ca 0.00 -1.10 -0.33 0.00 -0.77 0.00 0.00 57.85 55.65 1h5b n ARG 58 Cb 0.00 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.45 3.28 -0.09 0.55 1.43 -0.73 -1.66 118.68 120.00 1h5b s LEU 59 Ca 0.30 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1h5b s LEU 59 Cb 0.16 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1h5b s LEU 59 CO 0.24 0.30 0.23 -0.75 0.23 0.00 0.00 176.35 176.60 1h5b s LYS 60 N -1.32 0.22 0.06 1.70 2.20 -0.70 -0.46 119.74 121.45 1h5b s LYS 60 Ca 0.17 0.44 0.09 0.00 -0.36 0.00 0.00 55.97 56.30 1h5b s LYS 60 Cb -0.11 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 1h5b s LYS 60 CO 0.07 -0.11 -0.22 -1.54 -0.36 0.00 0.00 175.35 173.18 1h5b s SER 61 N 0.83 3.50 -0.01 1.43 1.04 0.33 -0.03 113.70 120.79 1h5b s SER 61 Ca -0.06 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1h5b s SER 61 Cb -0.07 -0.43 -0.00 0.00 0.10 0.00 0.00 66.02 65.61 1h5b s SER 61 CO -0.05 0.24 -0.08 0.00 0.98 0.00 0.00 173.24 174.33 1h5b s ALA 62 N -0.92 0.67 -0.40 5.32 0.00 -0.34 -1.43 121.76 124.66 1h5b s ALA 62 Ca 0.14 -0.31 0.10 0.00 0.00 0.00 0.00 51.96 51.89 1h5b s ALA 62 Cb -0.10 -0.20 0.36 0.00 0.00 0.00 0.00 23.12 23.18 1h5b s ALA 62 CO 0.05 0.14 1.04 0.34 0.00 0.00 0.00 175.76 177.32 1h5b n PHE 63 N 3.04 -1.36 0.45 0.00 -0.00 -0.10 -1.71 117.46 117.79 1h5b n PHE 63 Ca -0.15 -2.65 0.07 0.00 -0.00 0.00 0.00 57.45 54.72 1h5b n PHE 63 Cb 0.56 0.77 0.08 0.00 -0.00 0.00 0.00 39.48 40.89 1h5b n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1h5b n ASP 64 N 0.08 2.34 -4.76 -2.13 2.03 -1.18 -2.60 116.55 110.33 1h5b n ASP 64 Ca 0.10 -1.65 -0.41 0.00 0.52 0.00 0.00 54.79 53.35 1h5b n ASP 64 Cb 0.74 -0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 1h5b n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1h5b s SER 65 N -1.14 7.13 0.46 1.67 0.01 -1.26 -4.80 113.70 115.76 1h5b s SER 65 Ca 0.19 2.36 0.20 0.00 1.31 0.00 0.00 55.95 60.00 1h5b s SER 65 Cb 0.12 -2.63 1.11 0.00 0.21 0.00 0.00 66.02 64.84 1h5b s SER 65 CO 0.18 -0.27 1.97 0.07 0.41 0.00 0.00 173.24 175.60 1h5b h LYS 66 N 4.00 0.00 0.00 12.44 2.10 -2.00 -2.38 116.57 130.73 1h5b h LYS 66 Ca -0.47 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.12 1h5b h LYS 66 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1h5b h LYS 66 CO 0.68 0.21 -0.30 1.05 -2.00 0.00 0.00 179.45 179.09 1h5b h GLU 67 N 0.00 0.00 -6.08 0.07 9.09 -2.00 -3.48 114.58 112.18 1h5b h GLU 67 Ca -0.00 0.00 -0.43 0.00 0.05 0.00 0.00 59.36 58.98 1h5b h GLU 67 Cb 0.45 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.60 1h5b h GLU 67 CO 0.03 0.30 -0.78 0.54 0.05 0.00 0.00 179.01 179.14 1h5b n ARG 68 N -3.29 -5.69 -0.01 1.06 1.74 -0.90 -4.64 116.66 104.93 1h5b n ARG 68 Ca 0.01 0.66 0.08 0.00 -0.77 0.00 0.00 57.85 57.83 1h5b n ARG 68 Cb 0.55 -5.44 0.07 0.00 -1.02 0.00 0.00 32.46 26.62 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 -4.49 1.24 -3.53 5.56 5.12 -1.26 -2.62 116.66 116.68 1h5b n ARG 69 Ca -0.15 -1.47 -0.09 0.00 -1.93 0.00 0.00 57.85 54.21 1h5b n ARG 69 Cb 0.61 -1.30 -0.02 0.00 -1.16 0.00 0.00 32.46 30.59 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 -1.26 -0.38 0.02 -1.55 1.13 -1.26 0.37 117.35 114.42 1h5b s TYR 70 Ca 0.19 0.17 -0.03 0.00 -1.41 0.00 0.00 57.07 55.99 1h5b s TYR 70 Cb 0.13 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.55 1h5b s TYR 70 CO 0.19 -0.75 0.04 0.45 -2.51 0.00 0.00 175.55 172.97 1h5b s SER 71 N -2.67 0.21 0.09 -0.18 0.15 -0.04 -4.75 113.70 106.51 1h5b s SER 71 Ca 0.05 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.25 1h5b s SER 71 Cb -0.01 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1h5b s SER 71 CO -0.08 -0.41 -0.17 0.42 1.20 0.00 0.00 173.24 174.20 1h5b s THR 72 N -2.04 1.44 -0.15 6.45 -4.23 -0.69 -0.77 115.64 115.65 1h5b s THR 72 Ca -0.10 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1h5b s THR 72 Cb -0.05 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1h5b s THR 72 CO -0.02 -0.17 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.56 1h5b s LEU 73 N -1.93 1.68 -0.14 4.79 2.96 -0.14 -1.20 118.68 124.70 1h5b s LEU 73 Ca 0.04 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1h5b s LEU 73 Cb -0.09 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1h5b s LEU 73 CO 0.03 -0.10 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.68 1h5b s HIS 74 N 1.54 3.12 -0.19 5.38 5.65 0.96 0.04 115.29 131.78 1h5b s HIS 74 Ca 0.03 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.30 1h5b s HIS 74 Cb -0.14 -1.92 0.02 0.00 -1.18 0.00 0.00 32.58 29.36 1h5b s HIS 74 CO -0.09 0.19 -0.16 0.42 -0.65 0.00 0.00 174.74 174.44 1h5b s ILE 75 N -0.09 2.31 0.05 0.89 1.01 0.09 -1.71 121.20 123.74 1h5b s ILE 75 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1h5b s ILE 75 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1h5b s ILE 75 CO 0.02 0.47 -0.02 0.00 0.00 0.00 0.00 174.94 175.41 1h5b s ARG 76 N 1.31 2.57 -1.22 2.79 1.70 -0.67 -0.62 118.95 124.82 1h5b s ARG 76 Ca 0.04 -0.77 -0.13 0.00 -0.47 0.00 0.00 55.73 54.39 1h5b s ARG 76 Cb -0.14 -2.54 -0.01 0.00 -0.57 0.00 0.00 34.95 31.69 1h5b s ARG 76 CO -0.11 0.57 0.70 -3.47 -1.08 0.00 0.00 175.30 171.92 1h5b n ASP 77 N 0.99 -3.68 -4.57 -2.89 2.03 -1.11 -4.81 116.55 102.52 1h5b n ASP 77 Ca -0.13 -0.98 -0.49 0.00 0.52 0.00 0.00 54.79 53.71 1h5b n ASP 77 Cb 0.52 -3.45 -0.04 0.00 -0.72 0.00 0.00 41.12 37.43 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 -4.22 -0.97 -2.61 -1.67 0.00 -0.15 -4.37 120.51 106.53 1h5b n ALA 78 Ca -0.17 0.47 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 1h5b n ALA 78 Cb 0.62 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.41 2.19 0.36 0.00 -1.52 -1.26 -0.06 119.66 118.95 1h5b s GLN 79 Ca 0.73 -1.22 0.12 0.00 -1.95 0.00 0.00 55.36 53.04 1h5b s GLN 79 Cb -0.87 -2.23 0.92 0.00 -0.22 0.00 0.00 33.01 30.61 1h5b s GLN 79 CO 0.53 0.44 1.79 -0.07 -0.25 0.00 0.00 175.29 177.73 1h5b h LEU 80 N 2.79 0.61 0.00 2.90 3.38 -1.94 0.21 115.31 123.26 1h5b h LEU 80 Ca -0.47 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1h5b h LEU 80 Cb 1.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1h5b h LEU 80 CO 0.56 0.20 0.00 -1.84 0.09 0.00 0.00 178.44 177.45 1h5b n GLU 81 N -4.67 0.42 0.12 1.13 0.00 -1.26 -2.55 120.64 113.82 1h5b n GLU 81 Ca 0.23 0.06 0.13 0.00 0.00 0.00 0.00 57.16 57.58 1h5b n GLU 81 Cb 0.68 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.97 1h5b n GLU 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1h5b h ASP 82 N 0.00 0.00 -3.23 -1.84 3.32 -0.98 -3.46 116.42 110.22 1h5b h ASP 82 Ca 0.00 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.45 1h5b h ASP 82 Cb 0.09 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.77 1h5b h ASP 82 CO 0.00 0.01 0.27 -1.20 -1.72 0.00 0.00 179.24 176.60 1h5b n SER 83 N -2.36 1.65 0.00 6.45 7.64 -1.06 -4.89 113.62 121.06 1h5b n SER 83 Ca 0.05 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1h5b n SER 83 Cb 0.45 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 1.07 -1.36 3.47 0.23 0.00 -0.59 -4.92 105.19 103.09 1h5b n GLY 84 Ca 0.09 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.13 4.31 -0.17 2.61 2.01 -0.28 -0.67 115.64 121.32 1h5b s THR 85 Ca 0.00 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 1h5b s THR 85 Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1h5b s THR 85 CO 0.00 0.37 0.21 -0.31 -0.69 0.00 0.00 174.62 174.20 1h5b s TYR 86 N 1.32 3.46 0.08 4.92 1.51 0.67 -0.78 117.35 128.52 1h5b s TYR 86 Ca 0.05 0.48 0.09 0.00 -1.01 0.00 0.00 57.07 56.68 1h5b s TYR 86 Cb -0.15 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1h5b s TYR 86 CO 0.03 0.31 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.47 1h5b s PHE 87 N 0.26 2.18 -0.01 2.71 0.40 0.03 -0.18 117.98 123.37 1h5b s PHE 87 Ca 0.13 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1h5b s PHE 87 Cb -0.12 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 1h5b s PHE 87 CO 0.01 0.20 -0.24 0.00 0.70 0.00 0.00 175.22 175.90 1h5b s ALA 89 N -0.59 0.86 0.10 0.00 0.00 0.33 -0.17 121.76 122.28 1h5b s ALA 89 Ca 0.09 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1h5b s ALA 89 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1h5b s ALA 89 CO -0.00 0.21 -0.17 0.00 0.00 0.00 0.00 175.76 175.79 1h5b s ALA 90 N -0.29 1.54 -0.14 0.00 0.00 0.41 -0.87 121.76 122.40 1h5b s ALA 90 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1h5b s ALA 90 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1h5b s ALA 90 CO -0.00 0.22 -0.17 -2.00 0.00 0.00 0.00 175.76 173.80 1h5b s GLU 91 N -2.15 3.19 0.53 0.00 2.12 -0.78 -0.75 118.70 120.86 1h5b s GLU 91 Ca 0.05 -0.77 -0.18 0.00 0.36 0.00 0.00 54.97 54.43 1h5b s GLU 91 Cb -0.08 -2.56 -0.07 0.00 0.26 0.00 0.00 34.13 31.68 1h5b s GLU 91 CO 0.04 0.06 1.03 0.00 -0.54 0.00 0.00 175.26 175.85 1h5b s ALA 92 N 0.69 2.86 -0.03 6.30 0.00 -1.26 -0.30 121.76 130.01 1h5b s ALA 92 Ca -0.08 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1h5b s ALA 92 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1h5b s ALA 92 CO 0.02 -0.47 0.22 1.03 0.00 0.00 0.00 175.76 176.56 1h5b h SER 93 N 1.06 -0.08 -3.62 0.00 0.87 -1.83 -3.39 113.55 106.56 1h5b h SER 93 Ca -0.48 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.44 1h5b h SER 93 Cb 1.21 0.02 -0.40 0.00 -0.44 0.00 0.00 62.40 62.80 1h5b h SER 93 CO 0.59 0.10 -0.49 -0.44 -0.53 0.00 0.00 176.83 176.06 1h5b s SER 94 N -3.81 4.91 0.31 6.23 0.01 -1.26 -4.83 113.70 115.27 1h5b s SER 94 Ca -0.01 -3.50 0.00 0.00 1.31 0.00 0.00 55.95 53.75 1h5b s SER 94 Cb 0.00 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1h5b s SER 94 CO 0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1h5b n GLY 95 N 2.50 -1.81 0.00 3.44 0.00 -1.26 -5.04 105.19 103.03 1h5b n GLY 95 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1h5b n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5b n ALA 96 N -3.13 0.17 -0.98 4.61 0.00 -1.26 -5.03 120.51 114.89 1h5b n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h5b n ALA 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1h5b n ALA 96 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1h5b n TRP 97 N -0.55 0.00 -2.73 0.00 7.02 -1.26 -5.02 117.44 114.90 1h5b n TRP 97 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 1h5b n TRP 97 Cb 0.00 -0.31 -0.05 0.00 -2.42 0.00 0.00 31.31 28.53 1h5b n TRP 97 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1h5b s GLN 98 N -0.29 4.02 -0.15 -0.99 -2.07 -1.26 -4.82 119.66 114.09 1h5b s GLN 98 Ca 0.00 0.88 -0.29 0.00 -1.82 0.00 0.00 55.36 54.12 1h5b s GLN 98 Cb 0.00 -2.24 -0.01 0.00 -1.09 0.00 0.00 33.01 29.67 1h5b s GLN 98 CO 0.00 -0.09 1.14 -1.17 -1.32 0.00 0.00 175.29 173.86 1h5b s LEU 99 N -3.58 4.19 -0.24 2.60 2.96 -1.26 -4.41 118.68 118.95 1h5b s LEU 99 Ca 0.58 1.60 -0.06 0.00 -0.22 0.00 0.00 54.13 56.03 1h5b s LEU 99 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1h5b s LEU 99 CO 0.23 -0.64 0.04 -0.63 -1.32 0.00 0.00 176.35 174.03 1h5b s ILE 100 N 2.86 4.10 0.02 6.68 1.01 0.07 -4.91 121.20 131.04 1h5b s ILE 100 Ca 0.51 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 1h5b s ILE 100 Cb -0.20 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1h5b s ILE 100 CO 0.14 0.37 0.40 -0.36 0.00 0.00 0.00 174.94 175.49 1h5b s PHE 101 N 1.48 3.68 0.87 3.97 0.40 -1.26 -0.45 117.98 126.67 1h5b s PHE 101 Ca 0.06 0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 57.18 1h5b s PHE 101 Cb -0.15 -2.24 0.12 0.00 0.51 0.00 0.00 43.02 41.26 1h5b s PHE 101 CO 0.02 0.61 1.19 0.20 0.70 0.00 0.00 175.22 177.94 1h5b s GLY 102 N -1.29 1.62 0.01 4.36 0.00 0.76 -4.80 107.32 107.97 1h5b s GLY 102 Ca 0.26 -0.71 0.20 0.00 0.00 0.00 0.00 44.72 44.48 1h5b s GLY 102 CO 0.14 -0.15 1.65 1.44 0.00 0.00 0.00 173.10 176.19 1h5b n SER 103 N -3.53 0.02 0.00 1.64 7.64 -1.26 -4.74 113.62 113.39 1h5b n SER 103 Ca 0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1h5b n SER 103 Cb 0.60 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1h5b n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h5b n GLY 104 N 0.60 0.42 2.96 0.23 0.00 -1.26 -5.00 105.19 103.15 1h5b n GLY 104 Ca 0.05 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.91 1.30 -0.49 2.61 2.01 0.74 -4.72 115.64 114.19 1h5b s THR 105 Ca 0.00 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 1h5b s THR 105 Cb 0.00 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1h5b s THR 105 CO 0.00 0.41 0.87 -1.58 -0.69 0.00 0.00 174.62 173.63 1h5b s GLN 106 N 1.60 3.41 -0.21 4.92 0.74 -0.75 -0.24 119.66 129.12 1h5b s GLN 106 Ca 0.05 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.25 1h5b s GLN 106 Cb -0.13 -3.98 -0.05 0.00 1.10 0.00 0.00 33.01 29.96 1h5b s GLN 106 CO -0.10 -1.27 0.14 -1.17 -0.55 0.00 0.00 175.29 172.34 1h5b s LEU 107 N 3.60 4.15 -0.17 3.68 2.96 0.16 -1.65 118.68 131.41 1h5b s LEU 107 Ca 0.31 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1h5b s LEU 107 Cb -0.12 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1h5b s LEU 107 CO 0.22 0.14 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.34 1h5b s THR 108 N 0.60 1.82 -0.21 3.68 2.01 -0.34 -1.54 115.64 121.66 1h5b s THR 108 Ca 0.08 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1h5b s THR 108 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1h5b s THR 108 CO 0.00 0.47 0.10 -0.69 -0.69 0.00 0.00 174.62 173.81 1h5b s VAL 109 N 1.38 4.99 0.03 3.82 1.01 -1.26 -1.27 120.40 129.11 1h5b s VAL 109 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1h5b s VAL 109 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1h5b s VAL 109 CO -0.12 0.40 0.04 -0.04 0.00 0.00 0.00 175.10 175.39 1h5b s MET 110 N 0.75 2.83 0.00 2.72 -1.94 0.03 -4.82 119.30 118.87 1h5b s MET 110 Ca 0.05 -0.64 0.15 0.00 -1.71 0.00 0.00 55.69 53.54 1h5b s MET 110 Cb -0.13 -2.70 0.89 0.00 2.01 0.00 0.00 34.83 34.90 1h5b s MET 110 CO 0.02 0.60 1.31 -0.35 -0.01 0.00 0.00 175.02 176.59