#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n GLN -7 N 0.00 0.00 -3.75 -2.82 10.64 -1.26 -5.01 117.38 115.17 3hye n GLN -7 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 3hye n GLN -7 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 3hye n GLN -7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 3hye s GLN -6 N -0.37 0.31 0.32 2.61 -2.07 -1.26 -5.11 119.66 114.09 3hye s GLN -6 Ca 0.00 0.47 -0.29 0.00 -1.82 0.00 0.00 55.36 53.72 3hye s GLN -6 Cb 0.00 0.07 -0.10 0.00 -1.09 0.00 0.00 33.01 31.89 3hye s GLN -6 CO 0.00 -0.08 1.26 -1.25 -1.32 0.00 0.00 175.29 173.90 3hye s PRO -5 N 0.57 4.40 0.00 9.60 0.04 -1.26 -4.98 135.00 143.37 3hye s PRO -5 Ca -0.03 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3hye s PRO -5 Cb -0.05 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3hye s PRO -5 CO -0.03 -0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.00 3hye n ILE -4 N 0.85 0.00 -3.26 0.56 -0.00 -1.26 -4.96 119.36 111.28 3hye n ILE -4 Ca -0.00 0.25 -0.39 0.00 -0.00 0.00 0.00 62.75 62.62 3hye n ILE -4 Cb 0.42 -1.23 -0.06 0.00 -0.00 0.00 0.00 39.64 38.77 3hye n ILE -4 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3hye s VAL -3 N -0.88 5.14 0.11 1.39 1.01 -1.26 -4.15 120.40 121.76 3hye s VAL -3 Ca 0.00 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.02 3hye s VAL -3 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3hye s VAL -3 CO 0.00 0.24 -0.13 0.42 0.00 0.00 0.00 175.10 175.63 3hye s THR -2 N 1.15 1.20 -0.07 3.92 -4.23 0.77 0.03 115.64 118.42 3hye s THR -2 Ca 0.26 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3hye s THR -2 Cb -0.15 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 3hye s THR -2 CO 0.10 -0.41 -0.06 -0.83 -0.54 0.00 0.00 174.62 172.87 3hye s GLY -1 N -2.33 1.70 0.00 3.99 0.00 0.09 -0.43 107.32 110.35 3hye s GLY -1 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3hye s GLY -1 CO 0.02 -0.63 0.00 -0.37 0.00 0.00 0.00 173.10 172.12 3hye n THR 1 N 2.28 0.00 -1.23 0.90 5.66 -1.26 -1.05 114.28 119.58 3hye n THR 1 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.44 3hye n THR 1 Cb 0.53 -0.24 0.02 0.00 -1.55 0.00 0.00 70.33 69.09 3hye n THR 1 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3hye n SER 2 N 0.00 -3.69 -3.65 1.09 7.64 -1.26 -4.59 113.62 109.15 3hye n SER 2 Ca 0.00 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.21 3hye n SER 2 Cb 0.00 -0.88 -0.17 0.00 -1.01 0.00 0.00 64.21 62.15 3hye n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hye s VAL 3 N -1.98 0.10 0.15 0.44 1.01 -1.26 -4.35 120.40 114.52 3hye s VAL 3 Ca 0.56 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.34 3hye s VAL 3 Cb -0.44 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3hye s VAL 3 CO 0.67 -0.24 0.03 0.27 0.00 0.00 0.00 175.10 175.83 3hye s ILE 4 N 2.05 3.96 0.10 2.22 -5.25 -0.68 -1.46 121.20 122.14 3hye s ILE 4 Ca 0.01 -1.25 -0.26 0.00 -0.99 0.00 0.00 60.65 58.16 3hye s ILE 4 Cb -0.16 -2.98 0.08 0.00 2.95 0.00 0.00 42.46 42.35 3hye s ILE 4 CO -0.08 -0.06 0.88 -0.94 -1.79 0.00 0.00 174.94 172.94 3hye s SER 5 N -2.85 -0.30 0.06 4.36 1.04 0.28 -1.27 113.70 115.04 3hye s SER 5 Ca 0.28 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.23 3hye s SER 5 Cb -0.10 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.58 3hye s SER 5 CO 0.20 -0.82 0.87 0.00 0.98 0.00 0.00 173.24 174.46 3hye s MET 6 N -3.30 1.00 0.00 4.02 0.23 -0.87 -1.50 119.30 118.89 3hye s MET 6 Ca 0.08 -0.44 0.05 0.00 -1.03 0.00 0.00 55.69 54.35 3hye s MET 6 Cb -0.01 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.67 3hye s MET 6 CO -0.03 -0.45 -0.14 -1.59 -2.03 0.00 0.00 175.02 170.78 3hye s LYS 7 N -3.26 2.34 0.53 3.16 -2.85 -0.75 -1.16 119.74 117.75 3hye s LYS 7 Ca 0.07 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 3hye s LYS 7 Cb -0.01 -2.33 -0.00 0.00 -2.06 0.00 0.00 37.83 33.42 3hye s LYS 7 CO -0.06 0.58 0.00 1.52 0.10 0.00 0.00 175.35 177.49 3hye s TYR 8 N -0.88 1.76 0.35 1.78 1.13 0.39 -4.83 117.35 117.05 3hye s TYR 8 Ca 0.14 -1.00 0.15 0.00 -1.41 0.00 0.00 57.07 54.95 3hye s TYR 8 Cb -0.11 -1.58 1.08 0.00 -1.10 0.00 0.00 41.96 40.25 3hye s TYR 8 CO 0.04 0.19 1.69 0.38 -2.51 0.00 0.00 175.55 175.34 3hye h ASP 9 N 1.28 0.52 -0.12 -0.18 3.04 0.56 -2.69 116.42 118.84 3hye h ASP 9 Ca -0.44 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 3hye h ASP 9 Cb 1.33 0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 3hye h ASP 9 CO 0.73 -0.06 0.00 0.59 -2.04 0.00 0.00 179.24 178.46 3hye n ASN 10 N -4.93 2.14 0.00 4.15 5.03 -1.26 -4.86 115.26 115.52 3hye n ASN 10 Ca 0.31 -1.62 0.00 0.00 0.87 0.00 0.00 54.58 54.13 3hye n ASN 10 Cb 0.96 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.65 3hye n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hye n GLY 11 N 0.41 -0.74 3.04 7.41 0.00 -1.01 -0.28 105.19 114.02 3hye n GLY 11 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 3hye n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 12 N -3.95 0.31 0.04 1.61 -7.23 -0.72 -0.46 120.40 110.01 3hye s VAL 12 Ca 0.00 -1.24 0.07 0.00 -1.81 0.00 0.00 61.98 59.00 3hye s VAL 12 Cb 0.00 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 3hye s VAL 12 CO 0.00 -0.60 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.36 3hye s ILE 13 N -2.13 1.57 -0.07 -0.62 1.01 -0.31 -1.10 121.20 119.55 3hye s ILE 13 Ca -0.07 -1.15 -0.09 0.00 0.00 0.00 0.00 60.65 59.34 3hye s ILE 13 Cb -0.05 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.07 3hye s ILE 13 CO -0.03 0.18 0.23 -0.51 0.00 0.00 0.00 174.94 174.81 3hye s ILE 14 N -0.79 0.02 0.08 2.92 2.07 -0.23 -2.04 121.20 123.22 3hye s ILE 14 Ca 0.06 -0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.10 3hye s ILE 14 Cb -0.09 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 3hye s ILE 14 CO 0.02 -0.07 0.15 0.00 -1.91 0.00 0.00 174.94 173.13 3hye s ALA 15 N -0.19 -0.10 -0.28 1.50 0.00 -0.39 -0.54 121.76 121.76 3hye s ALA 15 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 3hye s ALA 15 Cb -0.03 0.44 0.09 0.00 0.00 0.00 0.00 23.12 23.63 3hye s ALA 15 CO 0.01 -0.48 0.82 0.00 0.00 0.00 0.00 175.76 176.11 3hye s ALA 16 N -3.85 -1.87 0.99 0.00 0.00 -0.90 -1.69 121.76 114.44 3hye s ALA 16 Ca 0.05 2.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.92 3hye s ALA 16 Cb 0.05 -1.31 0.19 0.00 0.00 0.00 0.00 23.12 22.05 3hye s ALA 16 CO -0.11 -0.31 1.10 0.16 0.00 0.00 0.00 175.76 176.60 3hye s ASP 17 N 0.51 2.68 -0.45 0.00 3.84 -1.26 -1.68 116.67 120.31 3hye s ASP 17 Ca -0.00 1.13 0.03 0.00 -0.00 0.00 0.00 52.55 53.71 3hye s ASP 17 Cb -0.05 -1.78 0.58 0.00 -1.38 0.00 0.00 42.92 40.28 3hye s ASP 17 CO -0.04 -3.09 1.87 0.59 -0.00 0.00 0.00 175.17 174.50 3hye n ASN 18 N -4.14 4.36 -4.84 2.11 3.02 -0.30 -4.59 115.26 110.88 3hye n ASN 18 Ca 0.05 -3.51 -0.32 0.00 -0.03 0.00 0.00 54.58 50.77 3hye n ASN 18 Cb 0.58 -0.84 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 3hye n ASN 18 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3hye s LEU 19 N -3.10 4.09 -0.37 3.41 2.96 -1.26 -2.04 118.68 122.37 3hye s LEU 19 Ca 0.53 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3hye s LEU 19 Cb 0.44 -2.50 0.11 0.00 0.50 0.00 0.00 46.19 44.74 3hye s LEU 19 CO 0.08 0.24 0.14 -0.83 -1.32 0.00 0.00 176.35 174.66 3hye s GLY 20 N -2.00 1.55 0.56 7.98 0.00 0.11 -4.45 107.32 111.07 3hye s GLY 20 Ca 0.27 -2.25 -0.14 0.00 0.00 0.00 0.00 44.72 42.59 3hye s GLY 20 CO 0.19 1.39 1.01 -0.56 0.00 0.00 0.00 173.10 175.12 3hye s SER 21 N 0.95 6.42 -0.51 1.64 0.01 0.42 -1.27 113.70 121.37 3hye s SER 21 Ca 0.13 1.52 0.05 0.00 1.31 0.00 0.00 55.95 58.96 3hye s SER 21 Cb -0.20 -2.49 0.19 0.00 0.21 0.00 0.00 66.02 63.72 3hye s SER 21 CO -0.12 -0.73 0.44 0.00 0.41 0.00 0.00 173.24 173.24 3hye n TYR 22 N -2.08 0.62 -0.40 2.43 4.19 0.26 -0.16 117.16 122.02 3hye n TYR 22 Ca 0.06 -3.68 0.00 0.00 3.31 0.00 0.00 57.90 57.60 3hye n TYR 22 Cb 0.54 -0.12 0.00 0.00 0.49 0.00 0.00 39.34 40.25 3hye n TYR 22 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hye n GLY 23 N 2.25 0.90 0.35 2.98 0.00 -1.26 -2.32 105.19 108.09 3hye n GLY 23 Ca 0.26 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3hye n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hye n SER 24 N 6.32 1.16 -4.61 1.61 3.41 -1.26 -4.79 113.62 115.45 3hye n SER 24 Ca 0.00 -1.25 -0.41 0.00 -0.26 0.00 0.00 58.87 56.95 3hye n SER 24 Cb 0.00 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3hye n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hye s LEU 25 N -2.14 4.12 -1.31 1.04 2.96 -0.98 -4.96 118.68 117.41 3hye s LEU 25 Ca 0.36 0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 54.62 3hye s LEU 25 Cb 0.21 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3hye s LEU 25 CO 0.39 -0.52 1.99 0.18 -1.32 0.00 0.00 176.35 177.06 3hye n LEU 26 N 5.99 5.58 0.23 -0.68 4.77 -1.26 -0.57 117.00 131.05 3hye n LEU 26 Ca 0.01 -3.87 -0.14 0.00 -0.03 0.00 0.00 56.01 51.98 3hye n LEU 26 Cb 0.49 -1.65 -0.08 0.00 -2.33 0.00 0.00 43.42 39.85 3hye n LEU 26 CO 0.47 0.38 0.56 -0.09 -1.33 0.00 0.00 177.39 177.38 3hye h ARG 27 N 7.06 -0.56 -5.60 3.23 2.43 -1.88 -3.46 114.38 115.62 3hye h ARG 27 Ca 0.48 0.04 -0.66 0.00 -0.81 0.00 0.00 59.98 59.03 3hye h ARG 27 Cb 0.75 0.13 -0.23 0.00 -0.42 0.00 0.00 29.97 30.20 3hye h ARG 27 CO 1.68 -0.26 -0.72 -0.06 -1.51 0.00 0.00 179.97 179.10 3hye s PHE 28 N -5.02 2.89 -0.98 2.20 0.08 -0.40 -4.99 117.98 111.76 3hye s PHE 28 Ca -0.15 -0.34 0.09 0.00 0.12 0.00 0.00 56.93 56.65 3hye s PHE 28 Cb 0.02 -1.83 0.13 0.00 -0.57 0.00 0.00 43.02 40.78 3hye s PHE 28 CO 0.55 0.00 0.93 0.09 -0.10 0.00 0.00 175.22 176.69 3hye n ASN 29 N 3.12 2.09 -0.98 1.36 4.13 -1.26 -0.71 115.26 123.01 3hye n ASN 29 Ca -0.18 -1.59 -0.01 0.00 1.68 0.00 0.00 54.58 54.48 3hye n ASN 29 Cb 0.53 -0.06 0.19 0.00 -1.54 0.00 0.00 39.78 38.90 3hye n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hye n GLY 30 N 0.43 5.10 3.64 7.41 0.00 -1.23 -4.71 105.19 115.84 3hye n GLY 30 Ca 0.07 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3hye n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 31 N -3.33 4.77 -0.29 1.61 1.01 -0.87 -5.02 120.40 118.28 3hye s VAL 31 Ca 0.42 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.86 3hye s VAL 31 Cb 0.39 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3hye s VAL 31 CO -0.03 -0.16 0.47 -0.70 0.00 0.00 0.00 175.10 174.68 3hye s GLU 32 N 3.01 3.92 0.00 2.72 2.56 -1.26 -4.15 118.70 125.50 3hye s GLU 32 Ca 0.37 0.10 0.14 0.00 0.00 0.00 0.00 54.97 55.58 3hye s GLU 32 Cb -0.15 -3.70 0.34 0.00 2.00 0.00 0.00 34.13 32.63 3hye s GLU 32 CO 0.08 -0.41 1.26 0.54 -0.56 0.00 0.00 175.26 176.17 3hye n ARG 33 N 5.53 2.48 -3.77 4.30 1.74 -1.26 -4.87 116.66 120.82 3hye n ARG 33 Ca -0.06 -2.05 -0.37 0.00 -0.77 0.00 0.00 57.85 54.60 3hye n ARG 33 Cb 0.50 -1.34 -0.13 0.00 -1.02 0.00 0.00 32.46 30.47 3hye n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hye s LEU 34 N -1.04 3.57 -0.37 0.55 1.43 -1.26 -1.24 118.68 120.32 3hye s LEU 34 Ca 0.28 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3hye s LEU 34 Cb 0.15 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.55 3hye s LEU 34 CO 0.20 -0.10 0.13 -0.63 0.23 0.00 0.00 176.35 176.19 3hye s ILE 35 N 1.56 3.43 0.22 -0.59 -1.09 0.13 -4.92 121.20 119.93 3hye s ILE 35 Ca 0.05 -1.60 -0.30 0.00 -2.23 0.00 0.00 60.65 56.57 3hye s ILE 35 Cb -0.16 -3.13 -0.08 0.00 -1.58 0.00 0.00 42.46 37.51 3hye s ILE 35 CO 0.03 -0.40 1.13 -2.84 -1.23 0.00 0.00 174.94 171.63 3hye s PRO 36 N 1.26 4.57 -0.28 2.79 0.02 -1.26 -0.11 135.00 142.00 3hye s PRO 36 Ca 0.02 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.86 3hye s PRO 36 Cb -0.21 -3.23 0.08 0.00 0.02 0.00 0.00 34.50 31.15 3hye s PRO 36 CO -0.01 0.07 0.01 0.08 -0.33 0.00 0.00 177.00 176.81 3hye s VAL 37 N -0.52 1.54 0.00 3.83 1.01 0.86 -4.94 120.40 122.19 3hye s VAL 37 Ca 0.49 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3hye s VAL 37 Cb -0.31 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3hye s VAL 37 CO 0.38 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3hye n GLY 38 N 4.62 1.09 0.73 4.51 0.00 -1.26 -3.35 105.19 111.53 3hye n GLY 38 Ca -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.25 3hye n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hye n ASP 39 N 3.62 0.82 0.00 1.61 3.85 -1.26 -4.73 116.55 120.45 3hye n ASP 39 Ca 0.00 -2.35 0.00 0.00 -0.71 0.00 0.00 54.79 51.73 3hye n ASP 39 Cb 0.00 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 3hye n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3hye n ASN 40 N -0.18 0.36 -3.80 -1.12 2.04 -1.25 -4.06 115.26 107.24 3hye n ASN 40 Ca 0.06 -1.14 -0.13 0.00 -0.44 0.00 0.00 54.58 52.93 3hye n ASN 40 Cb 0.82 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.95 3hye n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3hye s THR 41 N -0.14 0.00 -0.04 5.53 2.01 -1.21 -1.59 115.64 120.20 3hye s THR 41 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3hye s THR 41 Cb 0.00 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.21 3hye s THR 41 CO 0.00 -0.01 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.21 3hye s VAL 42 N 0.06 0.37 -0.27 3.82 1.01 0.10 -0.10 120.40 125.40 3hye s VAL 42 Ca -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 3hye s VAL 42 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3hye s VAL 42 CO 0.00 0.20 0.07 -0.69 0.00 0.00 0.00 175.10 174.68 3hye s VAL 43 N 1.13 4.13 -0.20 2.92 1.01 0.84 -0.82 120.40 129.42 3hye s VAL 43 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3hye s VAL 43 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3hye s VAL 43 CO -0.01 0.23 0.24 -0.83 0.00 0.00 0.00 175.10 174.73 3hye s GLY 44 N 1.56 2.10 -0.06 4.51 0.00 0.00 0.20 107.32 115.63 3hye s GLY 44 Ca 0.05 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.20 3hye s GLY 44 CO 0.03 0.41 -0.23 -0.42 0.00 0.00 0.00 173.10 172.89 3hye s ILE 45 N 0.72 1.89 0.30 0.90 1.01 -0.37 -1.48 121.20 124.16 3hye s ILE 45 Ca 0.13 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.87 3hye s ILE 45 Cb -0.13 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.68 3hye s ILE 45 CO 0.03 0.53 -0.05 -0.94 0.00 0.00 0.00 174.94 174.51 3hye s SER 46 N -0.09 2.98 0.00 3.58 1.04 -0.12 -4.85 113.70 116.25 3hye s SER 46 Ca -0.04 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.17 3hye s SER 46 Cb -0.13 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.78 3hye s SER 46 CO 0.04 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.53 3hye n GLY 47 N -0.65 0.10 3.70 7.32 0.00 -0.21 -1.85 105.19 113.60 3hye n GLY 47 Ca -0.05 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3hye n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hye s ASP 48 N -4.00 6.48 0.16 1.61 2.15 0.60 -0.73 116.67 122.95 3hye s ASP 48 Ca 0.00 2.69 -0.02 0.00 0.43 0.00 0.00 52.55 55.65 3hye s ASP 48 Cb 0.00 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3hye s ASP 48 CO 0.00 -0.95 1.39 0.40 -0.17 0.00 0.00 175.17 175.84 3hye h ILE 49 N 4.51 1.40 -0.47 4.11 1.08 -0.74 -1.50 117.51 125.89 3hye h ILE 49 Ca -0.44 -2.30 -0.08 0.00 -0.39 0.00 0.00 64.86 61.65 3hye h ILE 49 Cb 1.21 2.25 -0.02 0.00 -3.07 0.00 0.00 36.82 37.19 3hye h ILE 49 CO 0.94 0.69 -0.02 0.77 -0.69 0.00 0.00 178.15 179.84 3hye h SER 50 N 0.23 0.77 -0.11 1.72 4.64 -1.91 -0.28 113.55 118.61 3hye h SER 50 Ca -0.05 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 3hye h SER 50 Cb 1.41 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3hye h SER 50 CO 0.14 0.84 -0.44 0.44 -0.87 0.00 0.00 176.83 176.94 3hye h ASP 51 N 0.74 0.70 -0.72 4.97 3.45 -1.92 -2.24 116.42 121.40 3hye h ASP 51 Ca 0.14 -0.33 0.02 0.00 0.43 0.00 0.00 57.03 57.29 3hye h ASP 51 Cb 0.48 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3hye h ASP 51 CO 0.02 1.04 0.46 -0.03 -1.57 0.00 0.00 179.24 179.17 3hye h MET 52 N 0.53 0.89 -0.14 3.56 4.05 -0.54 0.78 114.93 124.06 3hye h MET 52 Ca 0.04 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3hye h MET 52 Cb 0.97 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 3hye h MET 52 CO 0.09 0.59 -0.17 1.96 0.23 0.00 0.00 176.91 179.61 3hye h GLN 53 N 0.92 0.23 -0.41 0.39 4.20 -0.91 -0.10 115.11 119.43 3hye h GLN 53 Ca 0.28 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 3hye h GLN 53 Cb -0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3hye h GLN 53 CO -0.09 0.41 -0.33 1.25 -0.67 0.00 0.00 178.83 179.40 3hye h HIS 54 N 0.22 1.11 0.00 2.96 2.76 -0.57 -2.09 115.15 119.54 3hye h HIS 54 Ca 0.04 -0.32 -0.08 0.00 -2.20 0.00 0.00 60.37 57.82 3hye h HIS 54 Cb 0.44 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3hye h HIS 54 CO 0.01 1.14 -0.36 0.82 -1.30 0.00 0.00 177.93 178.24 3hye h ILE 55 N 0.77 1.13 -0.04 6.26 2.04 -0.10 -1.35 117.51 126.21 3hye h ILE 55 Ca 0.07 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3hye h ILE 55 Cb 0.92 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3hye h ILE 55 CO 0.09 0.35 0.02 -0.33 0.00 0.00 0.00 178.15 178.28 3hye h GLU 56 N 0.00 0.06 -0.78 2.37 5.08 -0.62 0.01 114.58 120.71 3hye h GLU 56 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hye h GLU 56 Cb 0.69 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3hye h GLU 56 CO 0.05 0.17 0.47 -0.09 -1.00 0.00 0.00 179.01 178.60 3hye h ARG 57 N -0.06 1.05 -0.82 2.33 2.43 -1.04 -0.82 114.38 117.46 3hye h ARG 57 Ca 0.02 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3hye h ARG 57 Cb 0.13 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hye h ARG 57 CO -0.00 0.74 0.53 -0.07 -1.51 0.00 0.00 179.97 179.67 3hye h LEU 58 N 1.06 0.91 -0.63 3.80 3.38 -0.89 -2.08 115.31 120.86 3hye h LEU 58 Ca 0.28 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 3hye h LEU 58 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hye h LEU 58 CO -0.05 0.64 0.03 -0.07 0.09 0.00 0.00 178.44 179.08 3hye h LEU 59 N 1.07 1.07 -0.95 1.67 3.38 -0.04 -1.75 115.31 119.75 3hye h LEU 59 Ca 0.31 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 59 Cb -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3hye h LEU 59 CO -0.09 1.10 0.28 0.11 0.09 0.00 0.00 178.44 179.93 3hye h LYS 60 N 1.01 1.04 -0.61 1.13 1.57 -0.84 -2.70 116.57 117.17 3hye h LYS 60 Ca 0.18 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3hye h LYS 60 Cb 0.54 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3hye h LYS 60 CO 0.03 0.85 0.15 -0.44 -0.57 0.00 0.00 179.45 179.46 3hye h ASP 61 N 1.02 0.93 -0.61 0.86 5.19 -1.09 -1.91 116.42 120.82 3hye h ASP 61 Ca 0.24 -0.23 0.09 0.00 -0.62 0.00 0.00 57.03 56.50 3hye h ASP 61 Cb 0.20 -0.25 -0.07 0.00 0.18 0.00 0.00 39.33 39.39 3hye h ASP 61 CO -0.02 0.92 0.25 0.25 -3.12 0.00 0.00 179.24 177.52 3hye h LEU 62 N 0.89 0.28 -0.04 1.55 6.46 -1.02 0.27 115.31 123.71 3hye h LEU 62 Ca 0.19 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3hye h LEU 62 Cb 0.36 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3hye h LEU 62 CO 0.00 0.17 0.03 0.58 -0.62 0.00 0.00 178.44 178.60 3hye h VAL 63 N 0.45 1.05 0.23 1.05 2.07 -1.18 0.11 116.25 120.03 3hye h VAL 63 Ca 0.30 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.68 3hye h VAL 63 Cb 0.34 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3hye h VAL 63 CO -0.28 0.04 -0.21 0.74 0.02 0.00 0.00 177.57 177.88 3hye h THR 64 N 0.01 0.54 -0.61 2.57 2.02 -0.71 -2.52 112.91 114.21 3hye h THR 64 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 3hye h THR 64 Cb 0.05 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3hye h THR 64 CO -0.00 0.00 0.34 -0.08 0.37 0.00 0.00 175.52 176.15 3hye h GLU 65 N -0.47 0.62 0.00 6.66 4.57 -0.38 -1.48 114.58 124.10 3hye h GLU 65 Ca -0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hye h GLU 65 Cb 0.43 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3hye h GLU 65 CO -0.04 0.41 -0.08 -0.97 -1.18 0.00 0.00 179.01 177.15 3hye h ASN 66 N 0.64 0.00 1.07 1.04 -1.24 -0.61 -1.90 115.58 114.58 3hye h ASN 66 Ca 0.27 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.15 3hye h ASN 66 Cb 0.14 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3hye h ASN 66 CO -0.16 0.08 -0.62 0.00 -1.29 0.00 0.00 177.43 175.43 3hye h ALA 67 N 1.92 0.71 -2.38 1.57 0.00 -0.83 -3.42 119.26 116.83 3hye h ALA 67 Ca -0.00 -0.57 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 3hye h ALA 67 Cb 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hye h ALA 67 CO 0.01 0.78 1.02 0.66 0.00 0.00 0.00 179.25 181.72 3hye n TYR 68 N -3.42 2.50 -3.92 0.00 4.01 -0.72 -2.38 117.16 113.23 3hye n TYR 68 Ca 0.00 -0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 3hye n TYR 68 Cb 0.72 -2.67 -0.01 0.00 -0.31 0.00 0.00 39.34 37.06 3hye n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hye n ASP 69 N 5.09 -3.58 -3.76 7.72 10.43 -1.26 -4.92 116.55 126.27 3hye n ASP 69 Ca 0.18 -0.78 -0.30 0.00 2.57 0.00 0.00 54.79 56.46 3hye n ASP 69 Cb 0.34 -2.93 -0.14 0.00 1.84 0.00 0.00 41.12 40.22 3hye n ASP 69 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3hye s ASN 70 N -3.10 3.98 0.03 -2.24 2.47 -1.00 -4.97 114.94 110.10 3hye s ASN 70 Ca 0.63 -2.11 0.17 0.00 0.42 0.00 0.00 52.86 51.98 3hye s ASN 70 Cb -0.34 -1.04 0.74 0.00 -1.45 0.00 0.00 41.25 39.16 3hye s ASN 70 CO 0.78 -0.35 1.55 -0.81 -3.72 0.00 0.00 177.10 174.55 3hye n PRO 69 N 4.24 0.02 -0.59 0.43 -0.04 -1.26 -2.62 135.00 135.19 3hye n PRO 69 Ca 0.03 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 3hye n PRO 69 Cb 0.39 -1.54 0.21 0.00 -0.04 0.00 0.00 33.50 32.53 3hye n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hye n LEU 69 N -1.58 3.78 0.24 1.53 4.77 -1.26 -4.73 117.00 119.76 3hye n LEU 69 Ca 0.04 -3.44 0.11 0.00 -0.03 0.00 0.00 56.01 52.68 3hye n LEU 69 Cb 0.20 -0.58 0.70 0.00 -2.33 0.00 0.00 43.42 41.42 3hye n LEU 69 CO 0.16 1.00 1.09 0.00 -1.33 0.00 0.00 177.39 178.32 3hye h ALA 70 N 1.16 1.95 -0.45 -1.18 0.00 -1.70 0.12 119.26 119.16 3hye h ALA 70 Ca 0.11 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 70 Cb 1.48 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 3hye h ALA 70 CO 0.27 -0.07 0.08 -0.40 0.00 0.00 0.00 179.25 179.13 3hye n ASP 71 N -4.37 3.70 0.00 0.00 5.68 -1.26 -3.47 116.55 116.83 3hye n ASP 71 Ca -0.02 -3.34 0.00 0.00 -0.50 0.00 0.00 54.79 50.94 3hye n ASP 71 Cb 0.14 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3hye n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hye n ALA 72 N -0.64 1.74 0.00 2.12 0.00 -0.40 -4.94 120.51 118.39 3hye n ALA 72 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3hye n ALA 72 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 3hye n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hye n GLU 71 N -1.88 0.00 -2.37 0.00 -0.58 0.28 -4.91 120.64 111.19 3hye n GLU 71 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 3hye n GLU 71 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 3hye n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hye s ALA 71 N 0.00 3.28 0.11 0.62 0.00 -1.20 -4.37 121.76 120.20 3hye s ALA 71 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 3hye s ALA 71 Cb 0.00 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 3hye s ALA 71 CO 0.00 -0.68 1.49 -0.51 0.00 0.00 0.00 175.76 176.06 3hye s LEU 74 N -4.97 4.36 0.28 0.00 1.43 -1.26 -5.02 118.68 113.51 3hye s LEU 74 Ca 0.52 2.42 -0.05 0.00 -1.03 0.00 0.00 54.13 55.99 3hye s LEU 74 Cb -0.11 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3hye s LEU 74 CO 0.47 -0.75 0.55 -1.61 0.23 0.00 0.00 176.35 175.23 3hye s GLU 75 N 1.49 3.64 0.33 1.70 0.41 -1.26 -4.92 118.70 120.08 3hye s GLU 75 Ca 0.68 0.01 0.01 0.00 -0.41 0.00 0.00 54.97 55.25 3hye s GLU 75 Cb -0.39 -2.65 0.55 0.00 -1.78 0.00 0.00 34.13 29.85 3hye s GLU 75 CO 0.30 0.23 1.97 -1.35 -0.49 0.00 0.00 175.26 175.92 3hye h PRO 76 N 1.74 0.90 0.00 0.39 0.11 -1.84 -1.68 132.00 131.62 3hye h PRO 76 Ca -0.48 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 3hye h PRO 76 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3hye h PRO 76 CO 0.66 0.63 -0.23 0.66 -0.21 0.00 0.00 178.00 179.51 3hye h SER 77 N 0.92 0.00 -0.05 -2.05 4.64 -1.96 -1.07 113.55 113.98 3hye h SER 77 Ca 0.24 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 3hye h SER 77 Cb -0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3hye h SER 77 CO -0.05 0.23 -0.39 1.88 -0.87 0.00 0.00 176.83 177.64 3hye h TYR 78 N 0.00 0.50 -0.84 4.77 0.05 -1.71 -1.90 116.97 117.83 3hye h TYR 78 Ca -0.00 -0.23 0.02 0.00 0.05 0.00 0.00 58.73 58.57 3hye h TYR 78 Cb 0.49 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 3hye h TYR 78 CO 0.00 1.00 0.55 0.82 -1.05 0.00 0.00 178.16 179.48 3hye h ILE 79 N -0.14 1.17 -0.08 -2.88 2.04 -1.16 -1.43 117.51 115.03 3hye h ILE 79 Ca -0.03 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3hye h ILE 79 Cb 1.06 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3hye h ILE 79 CO 0.08 0.20 -0.07 0.15 0.00 0.00 0.00 178.15 178.51 3hye h PHE 80 N 1.10 0.23 -0.55 1.37 3.04 -1.22 -2.16 116.94 118.75 3hye h PHE 80 Ca 0.32 -0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.25 3hye h PHE 80 Cb -0.06 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 3hye h PHE 80 CO -0.02 0.62 0.36 1.49 -2.02 0.00 0.00 178.31 178.75 3hye h GLU 81 N -0.22 0.55 0.85 1.11 4.57 -1.16 0.15 114.58 120.42 3hye h GLU 81 Ca 0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3hye h GLU 81 Cb 0.58 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3hye h GLU 81 CO 0.02 0.36 -0.41 -0.92 -1.18 0.00 0.00 179.01 176.88 3hye h TYR 82 N 0.56 -1.06 -0.57 0.92 3.20 -1.13 -0.87 116.97 118.02 3hye h TYR 82 Ca 0.23 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.15 3hye h TYR 82 Cb 0.20 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3hye h TYR 82 CO -0.00 -0.65 0.24 -0.07 -1.64 0.00 0.00 178.16 176.03 3hye h LEU 83 N -1.29 0.27 -0.76 2.82 3.38 -0.98 -0.89 115.31 117.86 3hye h LEU 83 Ca -0.12 0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3hye h LEU 83 Cb 0.88 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3hye h LEU 83 CO 0.19 0.18 0.45 0.00 0.09 0.00 0.00 178.44 179.34 3hye h ALA 84 N 1.37 1.05 -0.09 1.53 0.00 -0.69 0.32 119.26 122.74 3hye h ALA 84 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hye h ALA 84 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hye h ALA 84 CO -0.25 0.13 0.05 1.15 0.00 0.00 0.00 179.25 180.33 3hye h THR 85 N 0.80 1.00 -0.48 0.00 2.02 0.11 -1.58 112.91 114.78 3hye h THR 85 Ca 0.35 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 3hye h THR 85 Cb 0.22 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3hye h THR 85 CO -0.19 0.02 0.21 0.58 0.37 0.00 0.00 175.52 176.51 3hye h VAL 86 N 0.10 1.20 -0.35 3.16 2.07 -0.32 -1.61 116.25 120.49 3hye h VAL 86 Ca 0.04 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hye h VAL 86 Cb 0.00 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hye h VAL 86 CO -0.02 0.22 0.18 0.24 0.02 0.00 0.00 177.57 178.21 3hye h MET 87 N 0.63 0.36 -0.19 1.57 2.86 -0.18 -0.42 114.93 119.57 3hye h MET 87 Ca 0.16 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 3hye h MET 87 Cb 0.15 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3hye h MET 87 CO -0.02 0.24 -0.36 -0.92 1.06 0.00 0.00 176.91 176.92 3hye h TYR 88 N 0.38 0.47 -0.43 -0.22 5.03 -1.14 -1.76 116.97 119.30 3hye h TYR 88 Ca 0.15 -0.12 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 3hye h TYR 88 Cb 0.05 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3hye h TYR 88 CO -0.09 0.71 -0.08 1.96 -1.32 0.00 0.00 178.16 179.34 3hye h GLN 89 N 0.35 0.82 -0.31 1.82 4.20 -0.92 -1.86 115.11 119.21 3hye h GLN 89 Ca 0.04 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 3hye h GLN 89 Cb 0.79 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3hye h GLN 89 CO 0.06 0.93 -0.17 0.00 -0.67 0.00 0.00 178.83 178.98 3hye h ARG 90 N 0.65 0.55 -0.02 1.46 2.47 -0.89 -2.05 114.38 116.56 3hye h ARG 90 Ca 0.11 -0.18 -0.15 0.00 -1.26 0.00 0.00 59.98 58.50 3hye h ARG 90 Cb 0.61 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 3hye h ARG 90 CO 0.04 0.70 -0.68 0.07 0.56 0.00 0.00 179.97 180.66 3hye h ARG 91 N 0.50 0.09 0.00 0.04 -0.00 -1.24 -1.03 114.38 112.73 3hye h ARG 91 Ca 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 3hye h ARG 91 Cb 0.58 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 3hye h ARG 91 CO 0.04 0.74 0.00 0.77 -0.00 0.00 0.00 179.97 181.51 3hye h SER 92 N 0.06 0.00 -0.70 0.08 0.02 -0.75 -0.93 113.55 111.32 3hye h SER 92 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hye h SER 92 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3hye h SER 92 CO 0.10 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.08 3hye n LYS 92 N -2.38 2.75 -2.05 3.45 5.02 -0.82 -4.93 118.16 119.19 3hye n LYS 92 Ca 0.03 -2.62 -0.19 0.00 -2.02 0.00 0.00 58.31 53.51 3hye n LYS 92 Cb 0.30 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 3hye n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hye n MET 92 N 1.56 -1.46 -3.29 1.97 2.81 -0.35 -4.85 117.12 113.50 3hye n MET 92 Ca 0.23 1.03 -0.25 0.00 -1.81 0.00 0.00 57.70 56.90 3hye n MET 92 Cb 0.61 -5.50 -0.08 0.00 -0.71 0.00 0.00 33.22 27.53 3hye n MET 92 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hye n ASN 93 N -1.46 -0.04 -4.80 7.83 4.05 -0.41 0.17 115.26 120.59 3hye n ASN 93 Ca -0.22 -2.56 -0.31 0.00 0.45 0.00 0.00 54.58 51.94 3hye n ASN 93 Cb 0.66 -0.60 0.06 0.00 1.23 0.00 0.00 39.78 41.12 3hye n ASN 93 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3hye s PRO 94 N -0.64 2.80 -0.49 1.20 0.04 -1.17 -4.53 135.00 132.22 3hye s PRO 94 Ca 0.34 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 3hye s PRO 94 Cb 0.11 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.72 3hye s PRO 94 CO -0.15 -1.21 0.63 -0.51 0.04 0.00 0.00 177.00 175.80 3hye s LEU 95 N -5.54 4.81 -0.70 -3.56 1.43 -1.26 -4.93 118.68 108.93 3hye s LEU 95 Ca 0.59 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3hye s LEU 95 Cb -0.15 -2.52 -0.13 0.00 0.03 0.00 0.00 46.19 43.42 3hye s LEU 95 CO 0.53 -0.86 1.89 1.87 0.23 0.00 0.00 176.35 180.02 3hye n TRP 96 N 6.21 1.43 -4.21 0.29 -0.00 -1.26 -4.22 117.44 115.68 3hye n TRP 96 Ca -0.05 -1.66 -0.12 0.00 -0.00 0.00 0.00 57.50 55.66 3hye n TRP 96 Cb 0.46 -1.54 -0.10 0.00 -0.00 0.00 0.00 31.31 30.13 3hye n TRP 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3hye s ASN 97 N 4.65 0.86 -0.13 5.87 -0.87 -1.26 -0.29 114.94 123.77 3hye s ASN 97 Ca 0.49 -1.21 0.00 0.00 -1.57 0.00 0.00 52.86 50.57 3hye s ASN 97 Cb 0.12 0.19 0.02 0.00 -0.02 0.00 0.00 41.25 41.57 3hye s ASN 97 CO 0.08 -0.65 -0.12 0.00 -2.57 0.00 0.00 177.10 173.85 3hye s ALA 98 N -3.82 1.64 0.05 0.60 0.00 -0.77 -0.63 121.76 118.82 3hye s ALA 98 Ca 0.25 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3hye s ALA 98 Cb 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3hye s ALA 98 CO 0.04 -0.36 -0.25 0.42 0.00 0.00 0.00 175.76 175.61 3hye s ILE 99 N 1.52 2.02 -0.08 0.00 1.01 0.91 -0.95 121.20 125.63 3hye s ILE 99 Ca 0.04 -1.35 0.01 0.00 0.00 0.00 0.00 60.65 59.34 3hye s ILE 99 Cb -0.13 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3hye s ILE 99 CO -0.09 0.32 -0.09 -0.63 0.00 0.00 0.00 174.94 174.45 3hye s ILE 100 N -0.81 1.01 -0.27 2.92 1.01 -0.55 -1.09 121.20 123.42 3hye s ILE 100 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 3hye s ILE 100 Cb -0.10 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3hye s ILE 100 CO 0.02 0.34 0.11 -0.69 0.00 0.00 0.00 174.94 174.72 3hye s VAL 101 N 1.14 4.54 -0.09 2.92 1.01 0.16 -0.82 120.40 129.26 3hye s VAL 101 Ca -0.06 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3hye s VAL 101 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3hye s VAL 101 CO -0.02 0.27 -0.16 0.00 0.00 0.00 0.00 175.10 175.20 3hye s ALA 102 N 1.64 2.55 -0.06 5.51 0.00 0.00 -2.32 121.76 129.08 3hye s ALA 102 Ca 0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3hye s ALA 102 Cb -0.16 -1.04 0.08 0.00 0.00 0.00 0.00 23.12 22.01 3hye s ALA 102 CO 0.05 0.37 1.14 0.41 0.00 0.00 0.00 175.76 177.74 3hye n GLY 103 N 3.06 0.17 3.10 0.00 0.00 -0.03 0.02 105.19 111.51 3hye n GLY 103 Ca -0.18 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3hye n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 104 N -2.01 1.72 1.02 1.61 1.01 -0.62 0.93 120.40 124.06 3hye s VAL 104 Ca 0.27 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3hye s VAL 104 Cb -0.00 -1.55 0.20 0.00 0.00 0.00 0.00 36.38 35.03 3hye s VAL 104 CO -0.02 0.49 1.08 -1.10 0.00 0.00 0.00 175.10 175.54 3hye s GLN 105 N 0.94 0.25 0.52 2.72 -1.52 0.91 -4.69 119.66 118.79 3hye s GLN 105 Ca -0.06 0.80 0.24 0.00 -1.95 0.00 0.00 55.36 54.38 3hye s GLN 105 Cb -0.15 -1.69 1.43 0.00 -0.22 0.00 0.00 33.01 32.38 3hye s GLN 105 CO -0.02 -2.93 2.11 0.66 -0.25 0.00 0.00 175.29 174.86 3hye h SER 10 N -2.05 0.00 -0.39 5.90 4.64 -1.98 -0.91 113.55 118.77 3hye h SER 10 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3hye h SER 10 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hye h SER 10 CO 0.53 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 3hye n ASN 10 N -3.94 2.48 0.00 4.97 6.94 -1.26 -4.91 115.26 119.53 3hye n ASN 10 Ca -0.02 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 3hye n ASN 10 Cb 0.18 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 3hye n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hye n GLY 106 N 0.98 2.98 3.70 4.83 0.00 -0.34 -5.03 105.19 112.31 3hye n GLY 106 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hye n ASP 107 N 0.00 2.56 -4.80 1.61 10.43 -1.26 -4.59 116.55 120.50 3hye n ASP 107 Ca 0.00 1.10 -0.35 0.00 2.57 0.00 0.00 54.79 58.11 3hye n ASP 107 Cb 0.00 -1.51 -0.06 0.00 1.84 0.00 0.00 41.12 41.39 3hye n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hye s GLN 108 N -2.26 4.34 -0.10 -1.24 1.11 -1.26 -0.06 119.66 120.19 3hye s GLN 108 Ca 0.62 1.27 0.01 0.00 0.01 0.00 0.00 55.36 57.26 3hye s GLN 108 Cb -0.50 -2.47 0.02 0.00 -1.01 0.00 0.00 33.01 29.05 3hye s GLN 108 CO 0.57 0.06 -0.10 0.12 0.01 0.00 0.00 175.29 175.95 3hye s PHE 109 N -1.87 1.55 -0.23 0.91 2.19 0.26 -4.83 117.98 115.96 3hye s PHE 109 Ca 0.57 -0.72 -0.03 0.00 0.33 0.00 0.00 56.93 57.08 3hye s PHE 109 Cb -0.15 -1.22 0.11 0.00 -1.31 0.00 0.00 43.02 40.45 3hye s PHE 109 CO 0.20 -0.45 0.28 -1.17 1.83 0.00 0.00 175.22 175.90 3hye s LEU 110 N 1.35 -0.27 0.01 6.12 2.96 -1.25 -0.85 118.68 126.75 3hye s LEU 110 Ca -0.01 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3hye s LEU 110 Cb -0.14 0.60 -0.01 0.00 0.50 0.00 0.00 46.19 47.14 3hye s LEU 110 CO -0.05 -0.33 0.05 -0.60 -1.32 0.00 0.00 176.35 174.10 3hye s ARG 111 N 2.39 0.39 0.08 1.98 3.52 -0.98 -4.29 118.95 122.04 3hye s ARG 111 Ca 0.09 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3hye s ARG 111 Cb -0.15 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 3hye s ARG 111 CO -0.17 -0.08 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.67 3hye s TYR 112 N -1.47 2.75 -0.15 5.12 5.04 -0.39 -0.67 117.35 127.59 3hye s TYR 112 Ca -0.15 -0.14 -0.12 0.00 -2.44 0.00 0.00 57.07 54.22 3hye s TYR 112 Cb -0.09 -1.47 0.04 0.00 0.35 0.00 0.00 41.96 40.79 3hye s TYR 112 CO 0.00 0.39 0.38 0.54 -1.34 0.00 0.00 175.55 175.52 3hye s VAL 113 N -1.14 -0.01 0.07 3.14 0.11 -0.25 -2.33 120.40 119.99 3hye s VAL 113 Ca 0.20 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 3hye s VAL 113 Cb -0.11 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3hye s VAL 113 CO 0.11 0.01 0.01 -0.46 -3.33 0.00 0.00 175.10 171.45 3hye n ASN 114 N 3.28 1.66 0.28 3.54 0.23 -0.97 -0.06 115.26 123.22 3hye n ASN 114 Ca -0.16 -1.31 0.19 0.00 -0.53 0.00 0.00 54.58 52.76 3hye n ASN 114 Cb 0.57 0.09 1.00 0.00 -2.08 0.00 0.00 39.78 39.35 3hye n ASN 114 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3hye h LEU 115 N 0.00 0.00 -0.21 -4.53 -0.00 -1.04 0.35 115.31 109.88 3hye h LEU 115 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3hye h LEU 115 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 3hye h LEU 115 CO 0.09 0.00 -0.44 0.18 -0.00 0.00 0.00 178.44 178.27 3hye n LEU 116 N -2.79 0.76 0.00 0.17 4.77 -1.26 -4.43 117.00 114.23 3hye n LEU 116 Ca -0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3hye n LEU 116 Cb 0.07 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hye n LEU 116 CO 0.16 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hye n GLY 117 N 1.44 0.78 3.76 -0.72 0.00 0.11 -4.75 105.19 105.80 3hye n GLY 117 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3hye n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 118 N -2.91 3.06 0.02 1.61 1.01 -1.26 -4.77 120.40 117.15 3hye s VAL 118 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3hye s VAL 118 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3hye s VAL 118 CO 0.00 0.21 -0.04 0.42 0.00 0.00 0.00 175.10 175.69 3hye s THR 119 N -0.73 0.20 -0.02 3.92 -4.23 -1.26 -2.28 115.64 111.24 3hye s THR 119 Ca 0.50 -0.95 -0.29 0.00 -1.18 0.00 0.00 61.69 59.78 3hye s THR 119 Cb -0.37 -0.34 0.10 0.00 1.34 0.00 0.00 72.50 73.24 3hye s THR 119 CO 0.45 -0.47 0.90 -0.72 -0.54 0.00 0.00 174.62 174.23 3hye s TYR 120 N -1.44 -0.35 0.17 3.99 -0.85 -0.98 -4.99 117.35 112.89 3hye s TYR 120 Ca -0.15 0.28 0.10 0.00 -0.52 0.00 0.00 57.07 56.78 3hye s TYR 120 Cb -0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 3hye s TYR 120 CO -0.01 -0.52 -0.21 -1.12 -1.52 0.00 0.00 175.55 172.17 3hye s SER 121 N -2.30 2.99 -0.09 -0.18 0.01 -1.26 -1.26 113.70 111.61 3hye s SER 121 Ca 0.04 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.16 3hye s SER 121 Cb -0.01 -0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.14 3hye s SER 121 CO -0.07 0.05 0.93 -0.55 0.41 0.00 0.00 173.24 174.00 3hye s SER 122 N -2.55 -0.39 0.54 2.44 0.15 -1.26 -5.02 113.70 107.61 3hye s SER 122 Ca 0.16 0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.34 3hye s SER 122 Cb -0.07 0.35 1.43 0.00 -1.71 0.00 0.00 66.02 66.02 3hye s SER 122 CO 0.08 -0.48 1.97 -0.65 1.20 0.00 0.00 173.24 175.36 3hye h PRO 123 N 2.36 0.00 -5.30 5.44 0.11 -1.94 -3.40 132.00 129.27 3hye h PRO 123 Ca -0.20 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.49 3hye h PRO 123 Cb 1.19 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 3hye h PRO 123 CO 0.31 0.00 -0.78 0.95 -0.21 0.00 0.00 178.00 178.27 3hye s THR 124 N -4.98 1.08 -0.14 -1.15 -4.23 -1.26 -1.82 115.64 103.14 3hye s THR 124 Ca -0.05 -1.23 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 3hye s THR 124 Cb 0.20 -1.03 0.04 0.00 1.34 0.00 0.00 72.50 73.05 3hye s THR 124 CO 0.73 -0.18 0.34 -0.76 -0.54 0.00 0.00 174.62 174.21 3hye s LEU 125 N -1.60 0.38 0.03 4.79 1.43 -0.56 -4.98 118.68 118.17 3hye s LEU 125 Ca -0.02 0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 3hye s LEU 125 Cb -0.10 1.14 -0.01 0.00 0.03 0.00 0.00 46.19 47.25 3hye s LEU 125 CO 0.02 -0.15 0.09 0.00 0.23 0.00 0.00 176.35 176.53 3hye s ALA 126 N 0.79 -0.09 0.25 4.21 0.00 -1.26 -0.56 121.76 125.12 3hye s ALA 126 Ca -0.05 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.51 3hye s ALA 126 Cb -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3hye s ALA 126 CO -0.06 -0.28 0.06 0.95 0.00 0.00 0.00 175.76 176.44 3hye s THR 127 N -2.23 3.81 0.00 0.00 -4.23 -0.54 -4.31 115.64 108.14 3hye s THR 127 Ca -0.08 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hye s THR 127 Cb -0.03 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3hye s THR 127 CO -0.03 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3hye n GLY 128 N -0.94 2.86 0.32 3.99 0.00 -1.26 -1.99 105.19 108.18 3hye n GLY 128 Ca -0.07 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hye n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hye h PHE 129 N 0.00 0.91 0.00 1.61 3.04 -1.95 -0.97 116.94 119.58 3hye h PHE 129 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3hye h PHE 129 Cb 0.00 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.24 3hye h PHE 129 CO 0.00 0.31 0.00 0.78 -2.02 0.00 0.00 178.31 177.38 3hye h GLY 130 N 0.78 0.00 1.59 2.40 0.00 -1.76 -1.55 103.07 104.54 3hye h GLY 130 Ca 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.67 3hye h GLY 130 CO -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 175.90 3hye h ALA 131 N 2.05 1.01 0.10 3.60 0.00 -1.17 0.31 119.26 125.15 3hye h ALA 131 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.22 3hye h ALA 131 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hye h ALA 131 CO 0.00 0.60 -1.50 0.45 0.00 0.00 0.00 179.25 178.80 3hye h HIS 132 N 0.39 0.37 0.00 0.00 -0.00 -1.40 -3.36 115.15 111.14 3hye h HIS 132 Ca 0.04 -0.27 -0.21 0.00 -0.00 0.00 0.00 60.37 59.94 3hye h HIS 132 Cb 0.79 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.15 3hye h HIS 132 CO 0.03 1.32 -1.79 -1.33 -0.00 0.00 0.00 177.93 176.15 3hye n MET 133 N -3.41 2.11 -0.02 2.45 2.81 -0.99 -4.58 117.12 115.50 3hye n MET 133 Ca -0.15 -0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.54 3hye n MET 133 Cb 1.03 -1.29 -0.13 0.00 -0.71 0.00 0.00 33.22 32.11 3hye n MET 133 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hye h ALA 134 N 0.56 0.08 -0.68 3.04 0.00 -0.63 -3.35 119.26 118.28 3hye h ALA 134 Ca -0.31 -0.87 0.13 0.00 0.00 0.00 0.00 54.91 53.86 3hye h ALA 134 Cb 1.71 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.71 3hye h ALA 134 CO 0.02 0.50 0.23 -0.91 0.00 0.00 0.00 179.25 179.08 3hye h ASN 135 N -0.59 0.16 -0.73 0.00 2.35 -1.52 -0.19 115.58 115.06 3hye h ASN 135 Ca -0.20 0.11 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3hye h ASN 135 Cb 1.48 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.92 3hye h ASN 135 CO 0.03 0.07 0.48 -0.65 -1.65 0.00 0.00 177.43 175.71 3hye h PRO 136 N 0.37 0.65 0.08 0.81 0.11 -1.81 0.20 132.00 132.41 3hye h PRO 136 Ca 0.37 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3hye h PRO 136 Cb 0.54 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3hye h PRO 136 CO -0.40 0.43 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.72 3hye h LEU 137 N 0.67 -0.09 -1.80 2.35 3.38 -1.30 -3.18 115.31 115.34 3hye h LEU 137 Ca 0.33 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hye h LEU 137 Cb 0.40 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hye h LEU 137 CO -0.12 0.58 0.17 -0.07 0.09 0.00 0.00 178.44 179.09 3hye h LEU 138 N -0.86 0.22 -0.74 1.67 3.38 -0.86 -0.35 115.31 117.76 3hye h LEU 138 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hye h LEU 138 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hye h LEU 138 CO 0.02 0.16 0.00 0.03 0.09 0.00 0.00 178.44 178.74 3hye h ARG 139 N 0.26 0.00 0.00 1.13 3.08 -0.67 -1.55 114.38 116.64 3hye h ARG 139 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hye h ARG 139 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hye h ARG 139 CO -0.02 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.75 3hye h LYS 140 N 0.00 0.00 0.00 0.04 1.57 -1.03 -2.50 116.57 114.65 3hye h LYS 140 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 3hye h LYS 140 Cb 0.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 3hye h LYS 140 CO 0.00 0.00 -2.05 0.28 -0.57 0.00 0.00 179.45 177.11 3hye n VAL 141 N -2.39 1.53 -3.89 0.50 0.31 -0.73 -4.80 118.33 108.86 3hye n VAL 141 Ca 0.04 -0.24 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 3hye n VAL 141 Cb 0.36 -1.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.17 3hye n VAL 141 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hye s VAL 14 N -2.50 2.12 -0.14 2.52 -7.23 -0.66 -4.95 120.40 109.57 3hye s VAL 14 Ca -0.35 -2.82 0.16 0.00 -1.81 0.00 0.00 61.98 57.16 3hye s VAL 14 Cb 0.11 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3hye s VAL 14 CO 0.50 -0.78 1.11 -0.78 -0.31 0.00 0.00 175.10 174.85 3hye h ASP 14 N 6.87 0.00 -5.40 4.85 -0.00 -1.72 -3.39 116.42 117.63 3hye h ASP 14 Ca -0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.78 3hye h ASP 14 Cb 0.93 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 40.19 3hye h ASP 14 CO 0.59 0.53 -0.14 0.00 -0.00 0.00 0.00 179.24 180.23 3hye s ARG 14 N -2.95 1.84 0.21 0.28 3.03 -1.26 -5.03 118.95 115.05 3hye s ARG 14 Ca 0.00 -1.60 -0.10 0.00 2.03 0.00 0.00 55.73 56.07 3hye s ARG 14 Cb 0.08 0.46 0.26 0.00 -1.03 0.00 0.00 34.95 34.73 3hye s ARG 14 CO 0.78 -0.77 1.75 1.49 -1.13 0.00 0.00 175.30 177.42 3hye h GLU 14 N 2.15 0.43 0.00 3.89 4.57 -2.02 -1.54 114.58 122.05 3hye h GLU 14 Ca -0.28 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3hye h GLU 14 Cb 1.24 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3hye h GLU 14 CO 0.39 0.28 0.01 -1.13 -1.18 0.00 0.00 179.01 177.38 3hye n SER 14 N -4.97 0.08 0.12 1.04 3.41 -1.26 -1.42 113.62 110.64 3hye n SER 14 Ca 0.08 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3hye n SER 14 Cb 0.25 -0.54 0.10 0.00 -0.26 0.00 0.00 64.21 63.77 3hye n SER 14 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hye h ASP 14 N 0.00 0.00 0.20 4.04 3.45 -1.65 -3.38 116.42 119.07 3hye h ASP 14 Ca 0.00 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 3hye h ASP 14 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3hye h ASP 14 CO 0.00 0.02 -0.09 0.40 -1.57 0.00 0.00 179.24 178.00 3hye h ILE 14 N 0.00 0.81 0.00 0.35 5.03 -1.36 -2.48 117.51 119.85 3hye h ILE 14 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3hye h ILE 14 Cb 0.93 0.81 0.00 0.00 -3.03 0.00 0.00 36.82 35.53 3hye h ILE 14 CO 0.00 0.00 0.00 1.55 -0.68 0.00 0.00 178.15 179.02 3hye h PRO 144 N -0.27 0.00 -0.17 2.37 0.13 -1.77 -0.44 132.00 131.86 3hye h PRO 144 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hye h PRO 144 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 3hye h PRO 144 CO 0.04 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.44 3hye n LYS 145 N -3.06 1.81 -4.44 0.86 5.02 -0.95 -4.68 118.16 112.73 3hye n LYS 145 Ca -0.02 -1.22 -0.34 0.00 -2.02 0.00 0.00 58.31 54.71 3hye n LYS 145 Cb 0.11 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 3hye n LYS 145 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hye s THR 146 N -1.79 3.47 0.32 -0.18 2.01 -0.55 -5.01 115.64 113.92 3hye s THR 146 Ca 0.33 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.84 3hye s THR 146 Cb 0.18 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3hye s THR 146 CO 0.28 0.49 0.52 0.42 -0.69 0.00 0.00 174.62 175.64 3hye s THR 147 N 0.59 5.12 0.39 -0.82 -4.23 -1.26 -0.89 115.64 114.53 3hye s THR 147 Ca -0.05 -0.44 0.10 0.00 -1.18 0.00 0.00 61.69 60.12 3hye s THR 147 Cb -0.15 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.17 3hye s THR 147 CO 0.03 -0.49 1.93 0.58 -0.54 0.00 0.00 174.62 176.13 3hye h VAL 148 N 0.89 0.91 0.10 2.29 2.07 -1.98 -0.03 116.25 120.50 3hye h VAL 148 Ca -0.50 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3hye h VAL 148 Cb 1.21 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3hye h VAL 148 CO 0.62 0.11 -0.05 1.56 0.02 0.00 0.00 177.57 179.83 3hye h GLN 149 N 0.61 -0.13 0.03 1.57 7.50 -1.98 0.26 115.11 122.97 3hye h GLN 149 Ca 0.35 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.51 3hye h GLN 149 Cb 0.54 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.09 3hye h GLN 149 CO -0.13 0.13 -0.03 0.28 -1.50 0.00 0.00 178.83 177.59 3hye h VAL 150 N -0.39 0.93 0.21 -0.54 2.07 -1.80 -1.13 116.25 115.59 3hye h VAL 150 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hye h VAL 150 Cb 0.33 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hye h VAL 150 CO 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.38 3hye h ALA 151 N 0.90 -0.45 -0.36 1.67 0.00 -1.00 -0.14 119.26 119.88 3hye h ALA 151 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 151 Cb 0.07 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hye h ALA 151 CO -0.01 -0.79 0.24 1.49 0.00 0.00 0.00 179.25 180.18 3hye h GLU 152 N -0.48 0.34 -0.10 0.00 4.81 -0.41 -1.44 114.58 117.30 3hye h GLU 152 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3hye h GLU 152 Cb 0.46 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hye h GLU 152 CO -0.07 0.22 0.00 1.49 -0.73 0.00 0.00 179.01 179.93 3hye h GLU 153 N 0.35 0.17 -0.23 1.92 4.81 -0.51 -1.03 114.58 120.05 3hye h GLU 153 Ca 0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3hye h GLU 153 Cb 0.16 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3hye h GLU 153 CO -0.03 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 3hye h ALA 154 N 0.74 0.20 -0.35 2.92 0.00 -0.23 -0.73 119.26 121.82 3hye h ALA 154 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 154 Cb 0.34 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hye h ALA 154 CO 0.00 -0.42 0.20 0.82 0.00 0.00 0.00 179.25 179.86 3hye h ILE 155 N 0.08 1.12 -0.71 0.00 2.04 -1.25 -0.41 117.51 118.38 3hye h ILE 155 Ca 0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3hye h ILE 155 Cb 0.13 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3hye h ILE 155 CO -0.18 0.13 0.40 0.58 0.00 0.00 0.00 178.15 179.08 3hye h VAL 156 N 0.45 1.21 -0.37 1.67 2.07 -0.88 -0.33 116.25 120.06 3hye h VAL 156 Ca 0.12 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3hye h VAL 156 Cb 0.03 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3hye h VAL 156 CO -0.02 0.23 -0.02 -1.13 0.02 0.00 0.00 177.57 176.65 3hye h ASN 157 N 0.99 0.65 -0.89 0.57 -0.73 -0.71 -2.67 115.58 112.79 3hye h ASN 157 Ca 0.25 -0.32 0.05 0.00 1.87 0.00 0.00 56.30 58.16 3hye h ASN 157 Cb 0.00 -0.18 -0.06 0.00 0.27 0.00 0.00 38.32 38.36 3hye h ASN 157 CO -0.04 0.81 0.56 0.00 -0.37 0.00 0.00 177.43 178.40 3hye h ALA 158 N 0.86 1.21 -0.44 1.57 0.00 -0.43 -0.32 119.26 121.71 3hye h ALA 158 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 158 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hye h ALA 158 CO 0.02 0.35 0.26 0.52 0.00 0.00 0.00 179.25 180.40 3hye h MET 159 N 1.05 0.60 -0.16 0.00 2.86 -0.84 -0.20 114.93 118.24 3hye h MET 159 Ca 0.38 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.90 3hye h MET 159 Cb 0.12 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hye h MET 159 CO -0.16 0.43 -0.18 -0.09 1.06 0.00 0.00 176.91 177.97 3hye h ARG 160 N 0.61 0.40 -0.50 1.72 2.43 -0.78 -2.24 114.38 116.02 3hye h ARG 160 Ca 0.16 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3hye h ARG 160 Cb -0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3hye h ARG 160 CO -0.03 0.79 0.27 0.28 -1.51 0.00 0.00 179.97 179.77 3hye h VAL 161 N 0.03 0.99 -0.18 0.20 2.07 -0.65 -0.60 116.25 118.11 3hye h VAL 161 Ca 0.02 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hye h VAL 161 Cb 0.72 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3hye h VAL 161 CO 0.04 0.10 0.12 -0.07 0.02 0.00 0.00 177.57 177.78 3hye h LEU 162 N 0.53 0.18 -0.65 2.57 3.38 -1.00 0.44 115.31 120.77 3hye h LEU 162 Ca 0.21 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3hye h LEU 162 Cb 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hye h LEU 162 CO -0.13 0.13 -0.35 0.22 0.09 0.00 0.00 178.44 178.40 3hye h TYR 163 N 0.21 0.00 -0.02 1.13 3.20 -0.52 -0.37 116.97 120.61 3hye h TYR 163 Ca 0.07 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.78 3hye h TYR 163 Cb 0.02 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.31 3hye h TYR 163 CO -0.00 0.35 -0.60 1.88 -1.64 0.00 0.00 178.16 178.15 3hye h TYR 164 N 0.00 0.65 0.00 -3.82 0.05 0.14 -3.40 116.97 110.59 3hye h TYR 164 Ca -0.00 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 3hye h TYR 164 Cb 1.02 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3hye h TYR 164 CO 0.00 1.15 -0.52 0.54 -1.05 0.00 0.00 178.16 178.28 3hye n ARG 165 N -4.20 3.34 -3.38 4.88 5.12 -0.73 -4.93 116.66 116.75 3hye n ARG 165 Ca -0.10 -0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 3hye n ARG 165 Cb 0.67 -1.02 -0.09 0.00 -1.16 0.00 0.00 32.46 30.85 3hye n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3hye s ASP 166 N -2.05 6.19 0.00 0.55 3.68 -0.15 -4.94 116.67 119.95 3hye s ASP 166 Ca 0.04 -0.30 0.15 0.00 2.13 0.00 0.00 52.55 54.57 3hye s ASP 166 Cb 0.08 -2.20 0.82 0.00 -1.45 0.00 0.00 42.92 40.17 3hye s ASP 166 CO 0.45 -0.39 1.36 0.00 0.13 0.00 0.00 175.17 176.73 3hye n ALA 167 N 5.43 1.94 -1.25 3.66 0.00 -1.26 -2.50 120.51 126.54 3hye n ALA 167 Ca -0.09 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3hye n ALA 167 Cb 0.49 -1.24 0.18 0.00 0.00 0.00 0.00 19.45 18.88 3hye n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hye n ARG 168 N -1.15 1.61 -3.56 0.00 5.12 -1.26 -5.04 116.66 112.38 3hye n ARG 168 Ca 0.09 -2.88 -0.20 0.00 -1.93 0.00 0.00 57.85 52.94 3hye n ARG 168 Cb 0.09 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.77 3hye n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hye s SER 169 N -2.84 5.67 0.20 0.55 1.04 -1.04 -4.61 113.70 112.67 3hye s SER 169 Ca 0.36 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.55 3hye s SER 169 Cb 0.32 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 3hye s SER 169 CO 0.01 -0.44 -0.18 -0.55 0.98 0.00 0.00 173.24 173.06 3hye s SER 170 N -4.12 2.89 0.24 7.02 0.15 -1.26 -5.04 113.70 113.57 3hye s SER 170 Ca 0.44 -0.93 0.13 0.00 0.70 0.00 0.00 55.95 56.29 3hye s SER 170 Cb -0.08 -0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.11 3hye s SER 170 CO 0.29 -0.04 1.43 -0.09 1.20 0.00 0.00 173.24 176.04 3hye h ARG 171 N 2.91 0.00 -6.28 5.44 2.43 -1.96 -3.45 114.38 113.46 3hye h ARG 171 Ca -0.41 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.19 3hye h ARG 171 Cb 1.22 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 3hye h ARG 171 CO 0.55 0.66 -0.07 -0.80 -1.51 0.00 0.00 179.97 178.80 3hye s ASN 172 N -6.56 6.90 0.23 -3.80 -0.87 -1.26 -2.08 114.94 107.51 3hye s ASN 172 Ca 0.02 1.14 -0.21 0.00 -1.57 0.00 0.00 52.86 52.24 3hye s ASN 172 Cb 0.09 -2.31 0.04 0.00 -0.02 0.00 0.00 41.25 39.05 3hye s ASN 172 CO 0.76 0.17 0.65 0.72 -2.57 0.00 0.00 177.10 176.83 3hye s PHE 173 N -1.33 -0.27 0.08 2.20 -0.12 -1.00 -1.15 117.98 116.38 3hye s PHE 173 Ca 0.34 -0.09 0.07 0.00 -0.05 0.00 0.00 56.93 57.21 3hye s PHE 173 Cb -0.16 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3hye s PHE 173 CO 0.19 -1.07 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.03 3hye s SER 174 N -2.86 4.12 0.00 1.98 0.01 -0.67 -1.37 113.70 114.92 3hye s SER 174 Ca 0.08 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3hye s SER 174 Cb -0.04 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3hye s SER 174 CO -0.01 0.21 -0.03 -0.22 0.41 0.00 0.00 173.24 173.60 3hye s LEU 175 N -1.91 2.06 0.02 2.44 0.20 -0.00 -2.12 118.68 119.36 3hye s LEU 175 Ca 0.18 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.87 3hye s LEU 175 Cb -0.11 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.51 3hye s LEU 175 CO 0.10 -0.02 -0.06 0.00 -0.29 0.00 0.00 176.35 176.07 3hye s ALA 176 N -0.35 0.49 -0.03 5.97 0.00 0.30 0.48 121.76 128.62 3hye s ALA 176 Ca -0.02 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.54 3hye s ALA 176 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3hye s ALA 176 CO -0.00 0.05 -0.19 0.42 0.00 0.00 0.00 175.76 176.04 3hye s ILE 177 N -0.67 1.54 -0.32 0.00 1.01 0.33 -1.07 121.20 122.02 3hye s ILE 177 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3hye s ILE 177 Cb -0.05 -1.30 0.10 0.00 0.01 0.00 0.00 42.46 41.22 3hye s ILE 177 CO 0.00 0.44 0.07 -0.63 0.00 0.00 0.00 174.94 174.81 3hye s ILE 178 N -0.24 1.56 -0.10 2.92 1.09 -0.26 -0.14 121.20 126.03 3hye s ILE 178 Ca 0.02 -1.82 -0.03 0.00 -1.10 0.00 0.00 60.65 57.72 3hye s ILE 178 Cb -0.10 -2.14 -0.03 0.00 -1.06 0.00 0.00 42.46 39.13 3hye s ILE 178 CO 0.01 -0.61 0.03 -0.62 -0.10 0.00 0.00 174.94 173.66 3hye s ASP 179 N 1.28 5.49 0.00 3.58 -1.08 0.67 -1.75 116.67 124.85 3hye s ASP 179 Ca 0.09 0.20 0.09 0.00 -0.52 0.00 0.00 52.55 52.41 3hye s ASP 179 Cb -0.18 -1.64 0.45 0.00 -1.46 0.00 0.00 42.92 40.08 3hye s ASP 179 CO -0.16 0.36 1.15 2.29 0.52 0.00 0.00 175.17 179.33 3hye n LYS 180 N 2.26 0.13 0.02 4.34 2.85 0.61 -1.02 118.16 127.36 3hye n LYS 180 Ca -0.19 0.19 -0.02 0.00 -1.05 0.00 0.00 58.31 57.25 3hye n LYS 180 Cb 0.54 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 3hye n LYS 180 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hye n ASN 181 N -1.27 0.82 -0.01 -5.58 3.02 -1.26 -4.75 115.26 106.23 3hye n ASN 181 Ca 0.04 0.11 0.16 0.00 -0.03 0.00 0.00 54.58 54.86 3hye n ASN 181 Cb 0.07 -0.27 0.90 0.00 -0.61 0.00 0.00 39.78 39.87 3hye n ASN 181 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hye n THR 18 N -3.42 0.00 -4.37 3.41 -2.24 -1.24 -5.02 114.28 101.41 3hye n THR 18 Ca -0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3hye n THR 18 Cb 0.24 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3hye n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 183 N 1.06 0.53 3.63 3.38 0.00 -0.18 -4.73 105.19 108.88 3hye n GLY 183 Ca 0.22 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3hye n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hye s LEU 184 N 0.00 4.08 -0.21 0.99 0.20 -1.26 -0.24 118.68 122.25 3hye s LEU 184 Ca 0.00 0.16 -0.02 0.00 0.69 0.00 0.00 54.13 54.96 3hye s LEU 184 Cb 0.00 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 3hye s LEU 184 CO 0.00 -0.03 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.04 3hye s THR 185 N 1.46 2.86 -0.30 3.68 2.01 0.80 -4.98 115.64 121.17 3hye s THR 185 Ca 0.10 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3hye s THR 185 Cb -0.15 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.13 3hye s THR 185 CO 0.08 0.46 0.00 0.12 -0.69 0.00 0.00 174.62 174.59 3hye s PHE 186 N 1.40 3.25 -0.28 4.92 2.19 -1.26 -0.51 117.98 127.69 3hye s PHE 186 Ca 0.05 -1.81 -0.12 0.00 0.33 0.00 0.00 56.93 55.39 3hye s PHE 186 Cb -0.14 -2.12 -0.05 0.00 -1.31 0.00 0.00 43.02 39.41 3hye s PHE 186 CO -0.07 -0.79 0.22 0.15 1.83 0.00 0.00 175.22 176.56 3hye s LYS 187 N 1.27 3.97 0.26 10.12 1.02 0.18 -4.99 119.74 131.57 3hye s LYS 187 Ca -0.05 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 55.77 3hye s LYS 187 Cb -0.19 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 3hye s LYS 187 CO -0.01 -0.18 0.16 0.15 -0.92 0.00 0.00 175.35 174.55 3hye s LYS 188 N 1.77 2.80 -1.62 1.68 1.02 -1.26 -0.82 119.74 123.31 3hye s LYS 188 Ca 0.08 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.93 3hye s LYS 188 Cb -0.16 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3hye s LYS 188 CO 0.10 0.38 0.24 0.09 -0.92 0.00 0.00 175.35 175.24 3hye n ASN 189 N -1.14 -5.79 -4.77 2.83 4.13 -1.24 -5.00 115.26 104.29 3hye n ASN 189 Ca -0.07 -0.12 -0.29 0.00 1.68 0.00 0.00 54.58 55.77 3hye n ASN 189 Cb 0.58 -4.74 0.12 0.00 -1.54 0.00 0.00 39.78 34.20 3hye n ASN 189 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hye s LEU 190 N -5.99 2.29 -0.01 3.41 1.02 -0.47 -4.85 118.68 114.08 3hye s LEU 190 Ca 0.12 1.26 -0.08 0.00 0.02 0.00 0.00 54.13 55.45 3hye s LEU 190 Cb -0.05 -3.72 0.01 0.00 0.02 0.00 0.00 46.19 42.44 3hye s LEU 190 CO 0.14 -2.37 0.16 -1.10 0.02 0.00 0.00 176.35 173.21 3hye s GLN 191 N -5.11 0.44 0.03 1.70 -0.21 -1.26 -2.36 119.66 112.88 3hye s GLN 191 Ca 0.62 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.46 3hye s GLN 191 Cb -0.16 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 3hye s GLN 191 CO 0.55 -0.10 1.28 0.08 -2.12 0.00 0.00 175.29 174.98 3hye s VAL 192 N -1.06 3.89 0.28 1.09 1.01 -0.88 -5.00 120.40 119.73 3hye s VAL 192 Ca -0.11 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3hye s VAL 192 Cb -0.06 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3hye s VAL 192 CO 0.01 0.06 0.08 -1.61 0.00 0.00 0.00 175.10 173.64 3hye s GLU 193 N 1.62 1.51 -1.21 2.72 0.41 -1.26 -4.88 118.70 117.61 3hye s GLU 193 Ca 0.60 -1.82 -0.03 0.00 -0.41 0.00 0.00 54.97 53.31 3hye s GLU 193 Cb -0.30 -0.50 0.00 0.00 -1.78 0.00 0.00 34.13 31.55 3hye s GLU 193 CO 0.27 -0.25 1.03 0.09 -0.49 0.00 0.00 175.26 175.91 3hye n ASN 194 N -0.55 -3.65 -4.84 -0.19 3.02 -1.26 -5.00 115.26 102.78 3hye n ASN 194 Ca -0.01 -0.57 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 3hye n ASN 194 Cb 0.66 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.86 3hye n ASN 194 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hye s MET 195 N -5.68 4.05 -0.35 3.52 -1.94 -1.26 -5.06 119.30 112.59 3hye s MET 195 Ca 0.22 0.69 -0.10 0.00 -1.71 0.00 0.00 55.69 54.78 3hye s MET 195 Cb -0.10 -2.57 0.02 0.00 2.01 0.00 0.00 34.83 34.19 3hye s MET 195 CO 0.70 0.23 0.18 0.15 -0.01 0.00 0.00 175.02 176.27 3hye s LYS 196 N -2.69 2.98 0.00 2.03 1.02 -1.26 -4.87 119.74 116.95 3hye s LYS 196 Ca 0.50 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.53 3hye s LYS 196 Cb -0.12 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 3hye s LYS 196 CO 0.19 -0.60 0.00 0.91 -0.92 0.00 0.00 175.35 174.93 3hye n TRP 197 N 4.97 0.00 -0.29 3.18 7.02 -1.26 -4.88 117.44 126.19 3hye n TRP 197 Ca -0.13 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.43 3hye n TRP 197 Cb 0.47 0.00 0.23 0.00 -2.42 0.00 0.00 31.31 29.59 3hye n TRP 197 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3hye h ASP 198 N 0.00 0.42 0.00 -0.99 1.82 -2.05 -0.72 116.42 114.90 3hye h ASP 198 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3hye h ASP 198 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 3hye h ASP 198 CO 0.00 0.14 0.13 2.19 -1.61 0.00 0.00 179.24 180.09 3hye h PHE 199 N 0.53 0.00 -0.45 0.28 -0.00 -2.02 -1.32 116.94 113.96 3hye h PHE 199 Ca 0.47 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.49 3hye h PHE 199 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.65 3hye h PHE 199 CO -0.12 0.00 0.30 0.00 -0.00 0.00 0.00 178.31 178.49 3hye h ALA 200 N 1.71 1.90 0.00 12.09 0.00 -1.50 -2.13 119.26 131.33 3hye h ALA 200 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hye h ALA 200 Cb 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hye h ALA 200 CO 0.00 0.03 -0.16 1.57 0.00 0.00 0.00 179.25 180.69 3hye h LYS 201 N 0.42 0.00 -0.00 0.00 2.10 -1.42 -2.28 116.57 115.38 3hye h LYS 201 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3hye h LYS 201 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3hye h LYS 201 CO -0.05 0.16 -0.14 -0.25 -2.00 0.00 0.00 179.45 177.17 3hye n ASP 202 N -4.04 0.29 -4.57 7.07 10.43 -0.80 -4.78 116.55 120.14 3hye n ASP 202 Ca -0.02 -0.13 -0.38 0.00 2.57 0.00 0.00 54.79 56.82 3hye n ASP 202 Cb 0.24 -0.16 -0.11 0.00 1.84 0.00 0.00 41.12 42.93 3hye n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hye s ILE 203 N -2.75 5.21 0.05 0.53 1.01 -0.86 -5.07 121.20 119.32 3hye s ILE 203 Ca 0.21 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.97 3hye s ILE 203 Cb 0.19 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3hye s ILE 203 CO 0.54 0.23 -0.08 -1.59 0.00 0.00 0.00 174.94 174.04 3hye s LYS 204 N 1.74 0.60 2.12 2.79 0.00 -1.26 -5.01 119.74 120.73 3hye s LYS 204 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 55.97 55.15 3hye s LYS 204 Cb -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 37.83 37.39 3hye s LYS 204 CO 0.10 0.04 0.00 0.41 0.00 0.00 0.00 175.35 175.90 3hye n GLY 205 N 1.13 -0.63 0.73 0.59 0.00 -1.26 -4.63 105.19 101.11 3hye n GLY 205 Ca -0.20 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 44.81 3hye n GLY 205 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hye n TYR 206 N -1.07 0.00 0.00 1.61 0.18 -1.26 -5.01 117.16 111.61 3hye n TYR 206 Ca 0.00 -0.29 0.00 0.00 1.88 0.00 0.00 57.90 59.49 3hye n TYR 206 Cb 0.00 -0.09 0.00 0.00 -0.38 0.00 0.00 39.34 38.87 3hye n TYR 206 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3hye n GLY 207 N -0.05 -1.82 0.05 -7.48 0.00 -1.26 -5.00 105.19 89.63 3hye n GLY 207 Ca 0.04 0.60 0.11 0.00 0.00 0.00 0.00 46.02 46.78 3hye n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hye n THR 208 N 0.00 0.25 -1.75 2.61 -2.24 -1.26 -4.96 114.28 106.93 3hye n THR 208 Ca 0.00 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 3hye n THR 208 Cb 0.00 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 3hye n THR 208 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hye n GLN 209 N -2.24 2.74 -0.05 -0.78 7.27 -1.26 -4.94 117.38 118.12 3hye n GLN 209 Ca -0.00 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.04 3hye n GLN 209 Cb 0.50 -2.75 -0.14 0.00 2.41 0.00 0.00 30.24 30.25 3hye n GLN 209 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3hye n LYS 210 N 1.86 0.85 0.00 3.69 5.02 -1.26 -4.64 118.16 123.68 3hye n LYS 210 Ca 0.07 -0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.33 3hye n LYS 210 Cb 0.37 -1.45 0.05 0.00 -0.02 0.00 0.00 35.03 33.98 3hye n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32