#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 -3.77 -2.82 10.64 -1.26 -5.01 117.38 115.16 3hye n GLN -7 Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 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 -0.54 0.28 0.34 2.61 -2.07 -1.26 -5.11 119.66 113.91 3hye s GLN -6 Ca 0.00 0.42 -0.28 0.00 -1.82 0.00 0.00 55.36 53.68 3hye s GLN -6 Cb 0.00 0.08 -0.10 0.00 -1.09 0.00 0.00 33.01 31.90 3hye s GLN -6 CO 0.00 -0.07 1.23 -1.25 -1.32 0.00 0.00 175.29 173.88 3hye s PRO -5 N 0.45 4.34 0.00 9.60 0.04 -1.26 -4.99 135.00 143.18 3hye s PRO -5 Ca -0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3hye s PRO -5 Cb -0.04 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3hye s PRO -5 CO -0.02 -0.14 0.00 -0.89 0.04 0.00 0.00 177.00 175.99 3hye n ILE -4 N 0.71 0.00 -3.29 0.56 -0.00 -1.26 -4.97 119.36 111.11 3hye n ILE -4 Ca 0.01 0.23 -0.38 0.00 -0.00 0.00 0.00 62.75 62.61 3hye n ILE -4 Cb 0.43 -1.21 -0.06 0.00 -0.00 0.00 0.00 39.64 38.80 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 -0.89 5.16 0.10 1.39 1.01 -1.26 -4.14 120.40 121.77 3hye s VAL -3 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 61.98 62.98 3hye s VAL -3 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3hye s VAL -3 CO 0.00 0.26 -0.14 0.42 0.00 0.00 0.00 175.10 175.65 3hye s THR -2 N 1.06 1.19 -0.09 3.92 -4.23 0.68 0.16 115.64 118.34 3hye s THR -2 Ca 0.25 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3hye s THR -2 Cb -0.15 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3hye s THR -2 CO 0.10 -0.36 -0.03 -0.83 -0.54 0.00 0.00 174.62 172.96 3hye s GLY -1 N -2.17 1.77 0.00 3.99 0.00 -0.07 -0.52 107.32 110.32 3hye s GLY -1 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3hye s GLY -1 CO 0.02 -0.56 0.00 -0.37 0.00 0.00 0.00 173.10 172.20 3hye n THR 1 N 2.32 0.00 -1.23 0.90 5.66 -1.26 -1.30 114.28 119.37 3hye n THR 1 Ca -0.18 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.43 3hye n THR 1 Cb 0.53 -0.30 0.02 0.00 -1.55 0.00 0.00 70.33 69.03 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 -3.79 -3.67 1.09 7.64 -1.26 -4.60 113.62 109.03 3hye n SER 2 Ca 0.00 0.61 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 3hye n SER 2 Cb 0.00 -0.86 -0.17 0.00 -1.01 0.00 0.00 64.21 62.17 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 -1.99 0.15 0.14 0.44 1.01 -1.26 -4.36 120.40 114.54 3hye s VAL 3 Ca 0.56 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3hye s VAL 3 Cb -0.46 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hye s VAL 3 CO 0.67 -0.20 -0.01 0.27 0.00 0.00 0.00 175.10 175.84 3hye s ILE 4 N 2.03 3.78 0.08 2.22 -5.25 -0.68 -1.38 121.20 122.00 3hye s ILE 4 Ca 0.01 -1.28 -0.26 0.00 -0.99 0.00 0.00 60.65 58.13 3hye s ILE 4 Cb -0.16 -2.86 0.08 0.00 2.95 0.00 0.00 42.46 42.47 3hye s ILE 4 CO -0.08 -0.02 0.87 -0.94 -1.79 0.00 0.00 174.94 172.98 3hye s SER 5 N -2.70 -0.32 0.10 4.36 1.04 0.26 -1.23 113.70 115.22 3hye s SER 5 Ca 0.26 -0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 3hye s SER 5 Cb -0.10 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.56 3hye s SER 5 CO 0.18 -0.79 0.84 0.00 0.98 0.00 0.00 173.24 174.45 3hye s MET 6 N -3.29 1.12 0.03 4.02 0.23 -0.87 -1.26 119.30 119.28 3hye s MET 6 Ca 0.07 -0.51 0.06 0.00 -1.03 0.00 0.00 55.69 54.28 3hye s MET 6 Cb -0.01 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 3hye s MET 6 CO -0.05 -0.50 -0.16 -1.59 -2.03 0.00 0.00 175.02 170.69 3hye s LYS 7 N -3.37 2.18 0.51 3.16 -2.85 -0.74 -1.23 119.74 117.41 3hye s LYS 7 Ca 0.07 -0.92 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 3hye s LYS 7 Cb -0.02 -2.25 -0.01 0.00 -2.06 0.00 0.00 37.83 33.49 3hye s LYS 7 CO -0.05 0.56 0.02 1.52 0.10 0.00 0.00 175.35 177.49 3hye s TYR 8 N -0.93 1.78 0.35 1.78 1.13 0.34 -4.83 117.35 116.98 3hye s TYR 8 Ca 0.15 -1.03 0.15 0.00 -1.41 0.00 0.00 57.07 54.93 3hye s TYR 8 Cb -0.11 -1.54 1.07 0.00 -1.10 0.00 0.00 41.96 40.28 3hye s TYR 8 CO 0.05 0.14 1.69 0.38 -2.51 0.00 0.00 175.55 175.31 3hye h ASP 9 N 1.35 0.52 -0.14 -0.18 3.04 0.69 -2.69 116.42 119.01 3hye h ASP 9 Ca -0.43 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 3hye h ASP 9 Cb 1.32 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.70 3hye h ASP 9 CO 0.71 -0.04 0.00 0.59 -2.04 0.00 0.00 179.24 178.46 3hye n ASN 10 N -4.91 2.27 0.00 4.15 5.03 -1.26 -4.86 115.26 115.67 3hye n ASN 10 Ca 0.30 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 54.08 3hye n ASN 10 Cb 0.95 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 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 0.50 -0.72 3.06 7.41 0.00 -1.02 -0.33 105.19 114.10 3hye n GLY 11 Ca 0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.98 0.36 0.04 1.61 -7.23 -0.68 -0.50 120.40 110.01 3hye s VAL 12 Ca 0.00 -1.32 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 3hye s VAL 12 Cb 0.00 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 3hye s VAL 12 CO 0.00 -0.63 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.34 3hye s ILE 13 N -2.32 1.53 -0.07 -0.62 1.01 -0.36 -1.09 121.20 119.27 3hye s ILE 13 Ca -0.05 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.37 3hye s ILE 13 Cb -0.04 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.11 3hye s ILE 13 CO -0.03 0.17 0.24 -0.51 0.00 0.00 0.00 174.94 174.81 3hye s ILE 14 N -0.80 0.02 0.08 2.92 2.07 -0.28 -2.04 121.20 123.17 3hye s ILE 14 Ca 0.06 -0.14 -0.08 0.00 -1.41 0.00 0.00 60.65 59.08 3hye s ILE 14 Cb -0.08 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 3hye s ILE 14 CO 0.02 -0.08 0.16 0.00 -1.91 0.00 0.00 174.94 173.13 3hye s ALA 15 N -0.23 -0.15 -0.28 1.50 0.00 -0.36 -0.53 121.76 121.71 3hye s ALA 15 Ca -0.03 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 3hye s ALA 15 Cb -0.03 0.45 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 0.00 175.76 176.10 3hye s ALA 16 N -3.77 -1.86 0.99 0.00 0.00 -0.91 -1.69 121.76 114.51 3hye s ALA 16 Ca 0.04 2.04 -0.13 0.00 0.00 0.00 0.00 51.96 53.91 3hye s ALA 16 Cb 0.05 -1.30 0.18 0.00 0.00 0.00 0.00 23.12 22.05 3hye s ALA 16 CO -0.10 -0.31 1.11 0.16 0.00 0.00 0.00 175.76 176.61 3hye s ASP 17 N 0.51 2.76 -0.45 0.00 3.84 -1.26 -1.77 116.67 120.30 3hye s ASP 17 Ca -0.00 1.07 0.03 0.00 -0.00 0.00 0.00 52.55 53.65 3hye s ASP 17 Cb -0.05 -1.69 0.58 0.00 -1.38 0.00 0.00 42.92 40.38 3hye s ASP 17 CO -0.04 -3.03 1.87 0.59 -0.00 0.00 0.00 175.17 174.56 3hye n ASN 18 N -4.10 4.33 -4.82 2.11 3.02 -0.32 -4.58 115.26 110.89 3hye n ASN 18 Ca 0.06 -3.51 -0.33 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 4.06 -0.36 3.41 2.96 -1.26 -2.00 118.68 122.38 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 -2.42 0.11 0.00 0.50 0.00 0.00 46.19 44.82 3hye s LEU 19 CO 0.08 0.26 0.13 -0.83 -1.32 0.00 0.00 176.35 174.67 3hye s GLY 20 N -1.88 1.50 0.57 7.98 0.00 0.07 -4.44 107.32 111.12 3hye s GLY 20 Ca 0.25 -2.19 -0.13 0.00 0.00 0.00 0.00 44.72 42.65 3hye s GLY 20 CO 0.17 1.40 1.00 -0.56 0.00 0.00 0.00 173.10 175.11 3hye s SER 21 N 1.04 6.40 -0.50 1.64 0.01 0.32 -1.18 113.70 121.43 3hye s SER 21 Ca 0.12 1.47 0.04 0.00 1.31 0.00 0.00 55.95 58.90 3hye s SER 21 Cb -0.20 -2.48 0.17 0.00 0.21 0.00 0.00 66.02 63.72 3hye s SER 21 CO -0.14 -0.74 0.39 0.00 0.41 0.00 0.00 173.24 173.17 3hye n TYR 22 N -2.23 0.33 0.00 2.43 4.19 0.32 -0.23 117.16 121.97 3hye n TYR 22 Ca 0.06 -3.61 0.00 0.00 3.31 0.00 0.00 57.90 57.66 3hye n TYR 22 Cb 0.54 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.36 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 2.53 1.16 0.37 2.98 0.00 -1.26 -2.14 105.19 108.83 3hye n GLY 23 Ca 0.27 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 6.54 1.23 -4.61 1.61 3.41 -1.26 -4.80 113.62 115.73 3hye n SER 24 Ca 0.00 -1.29 -0.41 0.00 -0.26 0.00 0.00 58.87 56.91 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 -2.12 4.10 -1.36 1.04 2.96 -0.91 -4.96 118.68 117.43 3hye s LEU 25 Ca 0.36 0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 54.70 3hye s LEU 25 Cb 0.21 -2.89 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3hye s LEU 25 CO 0.38 -0.46 1.98 0.18 -1.32 0.00 0.00 176.35 177.11 3hye n LEU 26 N 5.88 5.79 0.22 -0.68 4.77 -1.26 -0.52 117.00 131.20 3hye n LEU 26 Ca 0.00 -3.99 -0.14 0.00 -0.03 0.00 0.00 56.01 51.85 3hye n LEU 26 Cb 0.49 -1.69 -0.08 0.00 -2.33 0.00 0.00 43.42 39.80 3hye n LEU 26 CO 0.46 0.55 0.54 -0.09 -1.33 0.00 0.00 177.39 177.52 3hye h ARG 27 N 6.88 -0.54 -5.56 3.23 2.43 -1.88 -3.46 114.38 115.49 3hye h ARG 27 Ca 0.50 0.04 -0.66 0.00 -0.81 0.00 0.00 59.98 59.05 3hye h ARG 27 Cb 0.76 0.12 -0.23 0.00 -0.42 0.00 0.00 29.97 30.20 3hye h ARG 27 CO 1.67 -0.24 -0.71 -0.06 -1.51 0.00 0.00 179.97 179.11 3hye s PHE 28 N -4.93 2.92 -0.98 2.20 0.08 -0.33 -4.99 117.98 111.95 3hye s PHE 28 Ca -0.15 -0.33 0.09 0.00 0.12 0.00 0.00 56.93 56.66 3hye s PHE 28 Cb 0.02 -1.85 0.15 0.00 -0.57 0.00 0.00 43.02 40.78 3hye s PHE 28 CO 0.54 0.00 0.97 0.09 -0.10 0.00 0.00 175.22 176.72 3hye n ASN 29 N 3.16 2.19 -0.86 1.36 4.13 -1.26 -0.75 115.26 123.22 3hye n ASN 29 Ca -0.18 -1.64 0.01 0.00 1.68 0.00 0.00 54.58 54.45 3hye n ASN 29 Cb 0.53 -0.08 0.20 0.00 -1.54 0.00 0.00 39.78 38.89 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 0.44 5.03 3.64 7.41 0.00 -1.23 -4.71 105.19 115.78 3hye n GLY 30 Ca 0.07 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.24 4.68 -0.28 1.61 1.01 -0.85 -5.02 120.40 118.32 3hye s VAL 31 Ca 0.41 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 63.94 3hye s VAL 31 Cb 0.39 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3hye s VAL 31 CO -0.04 -0.25 0.52 -0.70 0.00 0.00 0.00 175.10 174.63 3hye s GLU 32 N 3.22 3.98 0.00 2.72 2.56 -1.26 -4.14 118.70 125.77 3hye s GLU 32 Ca 0.41 0.23 0.14 0.00 0.00 0.00 0.00 54.97 55.75 3hye s GLU 32 Cb -0.14 -3.68 0.31 0.00 2.00 0.00 0.00 34.13 32.62 3hye s GLU 32 CO 0.10 -0.41 1.22 0.54 -0.56 0.00 0.00 175.26 176.14 3hye n ARG 33 N 5.59 2.29 -3.75 4.30 1.74 -1.26 -4.87 116.66 120.70 3hye n ARG 33 Ca -0.04 -1.95 -0.37 0.00 -0.77 0.00 0.00 57.85 54.72 3hye n ARG 33 Cb 0.50 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.06 3.65 -0.37 0.55 1.43 -1.26 -1.35 118.68 120.27 3hye s LEU 34 Ca 0.26 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3hye s LEU 34 Cb 0.14 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.53 3hye s LEU 34 CO 0.20 -0.11 0.15 -0.63 0.23 0.00 0.00 176.35 176.18 3hye s ILE 35 N 1.57 3.53 0.24 -0.59 -1.09 0.10 -4.92 121.20 120.03 3hye s ILE 35 Ca 0.05 -1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 56.61 3hye s ILE 35 Cb -0.16 -3.18 -0.09 0.00 -1.58 0.00 0.00 42.46 37.45 3hye s ILE 35 CO 0.03 -0.41 1.11 -2.84 -1.23 0.00 0.00 174.94 171.60 3hye s PRO 36 N 1.28 4.61 -0.26 2.79 0.02 -1.26 -0.02 135.00 142.16 3hye s PRO 36 Ca 0.02 1.78 0.01 0.00 0.02 0.00 0.00 61.00 62.83 3hye s PRO 36 Cb -0.21 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.16 3hye s PRO 36 CO -0.01 0.14 -0.00 0.08 -0.33 0.00 0.00 177.00 176.88 3hye s VAL 37 N -0.76 1.41 0.00 3.83 1.01 0.86 -4.93 120.40 121.82 3hye s VAL 37 Ca 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3hye s VAL 37 Cb -0.31 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3hye s VAL 37 CO 0.39 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3hye n GLY 38 N 4.69 1.21 0.69 4.51 0.00 -1.26 -3.26 105.19 111.77 3hye n GLY 38 Ca -0.08 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 2.89 0.93 0.00 1.61 3.85 -1.26 -4.72 116.55 119.85 3hye n ASP 39 Ca 0.00 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.64 3hye n ASP 39 Cb 0.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 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 -0.29 0.37 -3.81 -1.12 2.04 -1.25 -4.06 115.26 107.13 3hye n ASN 40 Ca 0.07 -1.14 -0.12 0.00 -0.44 0.00 0.00 54.58 52.95 3hye n ASN 40 Cb 0.80 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.93 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 0.01 -0.04 5.53 2.01 -1.20 -1.63 115.64 120.18 3hye s THR 41 Ca 0.00 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3hye s THR 41 Cb 0.00 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.24 3hye s THR 41 CO 0.00 -0.05 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.18 3hye s VAL 42 N -0.11 0.32 -0.29 3.82 1.01 0.81 -0.10 120.40 125.86 3hye s VAL 42 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3hye s VAL 42 Cb -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3hye s VAL 42 CO 0.00 0.20 0.10 -0.69 0.00 0.00 0.00 175.10 174.72 3hye s VAL 43 N 1.27 4.31 -0.20 2.92 1.01 0.97 -0.88 120.40 129.80 3hye s VAL 43 Ca -0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 3hye s VAL 43 Cb -0.13 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3hye s VAL 43 CO -0.02 0.16 0.27 -0.83 0.00 0.00 0.00 175.10 174.68 3hye s GLY 44 N 1.58 2.10 -0.05 4.51 0.00 0.00 0.03 107.32 115.49 3hye s GLY 44 Ca 0.05 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.21 3hye s GLY 44 CO 0.04 0.49 -0.24 -0.42 0.00 0.00 0.00 173.10 172.96 3hye s ILE 45 N 0.83 2.00 0.28 0.90 1.01 -0.46 -1.46 121.20 124.30 3hye s ILE 45 Ca 0.14 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3hye s ILE 45 Cb -0.13 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 3hye s ILE 45 CO 0.04 0.56 -0.06 -0.94 0.00 0.00 0.00 174.94 174.54 3hye s SER 46 N -0.17 2.72 0.00 3.58 1.04 -0.27 -4.85 113.70 115.75 3hye s SER 46 Ca -0.03 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3hye s SER 46 Cb -0.13 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3hye s SER 46 CO 0.03 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3hye n GLY 47 N -0.58 -0.15 3.69 7.32 0.00 -0.42 -1.75 105.19 113.30 3hye n GLY 47 Ca -0.05 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3hye n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hye n ASP 48 N 0.00 4.03 0.07 1.61 2.03 0.41 -0.89 116.55 123.81 3hye n ASP 48 Ca 0.00 0.99 -0.09 0.00 0.52 0.00 0.00 54.79 56.21 3hye n ASP 48 Cb 0.00 -1.55 0.02 0.00 -0.72 0.00 0.00 41.12 38.88 3hye n ASP 48 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hye h ILE 49 N 4.59 1.41 -0.55 5.18 1.08 -0.63 -1.52 117.51 127.08 3hye h ILE 49 Ca -0.46 -2.29 -0.08 0.00 -0.39 0.00 0.00 64.86 61.65 3hye h ILE 49 Cb 1.22 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 37.18 3hye h ILE 49 CO 0.95 0.68 0.04 0.77 -0.69 0.00 0.00 178.15 179.89 3hye h SER 50 N 0.21 0.88 0.02 1.72 4.64 -1.91 -0.26 113.55 118.85 3hye h SER 50 Ca -0.04 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.94 3hye h SER 50 Cb 1.36 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3hye h SER 50 CO 0.13 0.92 -0.40 0.44 -0.87 0.00 0.00 176.83 177.05 3hye h ASP 51 N 0.86 0.52 -0.66 4.97 3.45 -1.92 -2.21 116.42 121.42 3hye h ASP 51 Ca 0.17 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 3hye h ASP 51 Cb 0.45 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 3hye h ASP 51 CO 0.02 0.86 0.39 -0.03 -1.57 0.00 0.00 179.24 178.91 3hye h MET 52 N 0.41 0.90 -0.14 3.56 4.05 -0.52 0.55 114.93 123.74 3hye h MET 52 Ca 0.04 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 3hye h MET 52 Cb 0.88 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 3hye h MET 52 CO 0.07 0.65 -0.19 1.96 0.23 0.00 0.00 176.91 179.64 3hye h GLN 53 N 0.90 0.23 -0.45 0.39 4.20 -0.88 0.28 115.11 119.78 3hye h GLN 53 Ca 0.24 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 3hye h GLN 53 Cb -0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3hye h GLN 53 CO -0.04 0.42 -0.28 1.25 -0.67 0.00 0.00 178.83 179.51 3hye h HIS 54 N 0.21 1.14 -0.06 2.96 2.76 -0.65 -2.07 115.15 119.44 3hye h HIS 54 Ca 0.04 -0.30 -0.09 0.00 -2.20 0.00 0.00 60.37 57.82 3hye h HIS 54 Cb 0.46 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3hye h HIS 54 CO 0.01 1.13 -0.38 0.82 -1.30 0.00 0.00 177.93 178.21 3hye h ILE 55 N 0.82 1.29 -0.12 6.26 2.04 -0.11 -1.52 117.51 126.17 3hye h ILE 55 Ca 0.09 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3hye h ILE 55 Cb 0.87 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3hye h ILE 55 CO 0.08 0.40 0.07 -0.33 0.00 0.00 0.00 178.15 178.37 3hye h GLU 56 N 0.10 0.15 -0.75 2.37 5.08 -0.59 0.26 114.58 121.20 3hye h GLU 56 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3hye h GLU 56 Cb 0.72 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3hye h GLU 56 CO 0.05 0.12 0.39 -0.09 -1.00 0.00 0.00 179.01 178.49 3hye h ARG 57 N 0.14 1.07 -0.81 2.33 2.43 -1.04 -1.00 114.38 117.48 3hye h ARG 57 Ca 0.04 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3hye h ARG 57 Cb 0.01 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3hye h ARG 57 CO -0.01 0.81 0.53 -0.07 -1.51 0.00 0.00 179.97 179.71 3hye h LEU 58 N 1.05 0.88 -0.61 3.80 3.38 -0.83 -1.91 115.31 121.07 3hye h LEU 58 Ca 0.26 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3hye h LEU 58 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hye h LEU 58 CO -0.04 0.61 -0.04 -0.07 0.09 0.00 0.00 178.44 179.00 3hye h LEU 59 N 1.04 1.04 -0.96 1.67 3.38 -0.19 -1.84 115.31 119.45 3hye h LEU 59 Ca 0.32 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 59 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3hye h LEU 59 CO -0.10 1.11 0.23 0.11 0.09 0.00 0.00 178.44 179.88 3hye h LYS 60 N 0.95 0.99 -0.69 1.13 1.57 -0.81 -2.65 116.57 117.06 3hye h LYS 60 Ca 0.16 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3hye h LYS 60 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3hye h LYS 60 CO 0.04 0.83 0.19 -0.44 -0.57 0.00 0.00 179.45 179.50 3hye h ASP 61 N 0.96 1.04 -0.58 0.86 5.19 -1.07 -2.03 116.42 120.79 3hye h ASP 61 Ca 0.22 -0.22 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3hye h ASP 61 Cb 0.24 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.41 3hye h ASP 61 CO -0.01 0.99 0.26 0.25 -3.12 0.00 0.00 179.24 177.60 3hye h LEU 62 N 1.03 0.32 -0.16 1.55 6.46 -0.99 0.23 115.31 123.76 3hye h LEU 62 Ca 0.22 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3hye h LEU 62 Cb 0.34 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 3hye h LEU 62 CO -0.00 0.21 0.09 0.58 -0.62 0.00 0.00 178.44 178.70 3hye h VAL 63 N 0.48 1.08 0.34 1.05 2.07 -1.23 0.15 116.25 120.19 3hye h VAL 63 Ca 0.28 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3hye h VAL 63 Cb 0.27 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hye h VAL 63 CO -0.24 0.07 -0.23 0.74 0.02 0.00 0.00 177.57 177.94 3hye h THR 64 N 0.17 0.52 -0.59 2.57 2.02 -0.76 -2.44 112.91 114.41 3hye h THR 64 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3hye h THR 64 Cb 0.03 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 3hye h THR 64 CO -0.01 0.00 0.31 -0.08 0.37 0.00 0.00 175.52 176.11 3hye h GLU 65 N -0.55 0.57 0.00 6.66 4.57 -0.44 -1.41 114.58 123.97 3hye h GLU 65 Ca -0.03 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3hye h GLU 65 Cb 0.47 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3hye h GLU 65 CO 0.02 0.38 -0.07 -0.97 -1.18 0.00 0.00 179.01 177.18 3hye h ASN 66 N 0.59 0.00 1.03 1.04 -1.24 -0.54 -1.81 115.58 114.64 3hye h ASN 66 Ca 0.26 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.14 3hye h ASN 66 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 3hye h ASN 66 CO -0.17 0.07 -0.61 0.00 -1.29 0.00 0.00 177.43 175.43 3hye h ALA 67 N 1.93 0.74 -2.36 1.57 0.00 -0.76 -3.42 119.26 116.95 3hye h ALA 67 Ca -0.00 -0.55 -0.56 0.00 0.00 0.00 0.00 54.91 53.80 3hye h ALA 67 Cb 0.19 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hye h ALA 67 CO 0.01 0.76 1.02 0.66 0.00 0.00 0.00 179.25 181.70 3hye n TYR 68 N -3.45 2.49 -3.73 0.00 4.01 -0.68 -2.36 117.16 113.44 3hye n TYR 68 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 3hye n TYR 68 Cb 0.70 -2.66 -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 -3.70 -3.77 7.72 10.43 -1.26 -4.92 116.55 126.14 3hye n ASP 69 Ca 0.18 -0.65 -0.30 0.00 2.57 0.00 0.00 54.79 56.60 3hye n ASP 69 Cb 0.33 -3.03 -0.14 0.00 1.84 0.00 0.00 41.12 40.12 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 -2.98 4.00 0.00 -2.24 2.47 -0.99 -4.97 114.94 110.22 3hye s ASN 70 Ca 0.55 -2.15 0.16 0.00 0.42 0.00 0.00 52.86 51.84 3hye s ASN 70 Cb -0.30 -1.07 0.70 0.00 -1.45 0.00 0.00 41.25 39.13 3hye s ASN 70 CO 0.68 -0.35 1.52 -0.81 -3.72 0.00 0.00 177.10 174.43 3hye n PRO 69 N 4.18 0.00 -0.63 0.43 -0.04 -1.26 -2.62 135.00 135.06 3hye n PRO 69 Ca 0.03 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 3hye n PRO 69 Cb 0.39 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.50 3.73 0.26 1.53 4.77 -1.26 -4.73 117.00 119.79 3hye n LEU 69 Ca 0.04 -3.57 0.09 0.00 -0.03 0.00 0.00 56.01 52.54 3hye n LEU 69 Cb 0.19 -0.58 0.67 0.00 -2.33 0.00 0.00 43.42 41.37 3hye n LEU 69 CO 0.15 1.10 1.03 0.00 -1.33 0.00 0.00 177.39 178.35 3hye h ALA 70 N 1.06 1.78 -0.46 -1.18 0.00 -1.70 0.15 119.26 118.91 3hye h ALA 70 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3hye h ALA 70 Cb 1.47 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 3hye h ALA 70 CO 0.27 0.06 0.09 -0.40 0.00 0.00 0.00 179.25 179.27 3hye n ASP 71 N -4.29 3.72 0.00 0.00 5.68 -1.26 -3.44 116.55 116.96 3hye n ASP 71 Ca -0.03 -3.34 0.00 0.00 -0.50 0.00 0.00 54.79 50.92 3hye n ASP 71 Cb 0.13 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 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 1.84 0.00 2.12 0.00 -0.53 -4.94 120.51 118.35 3hye n ALA 72 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3hye n ALA 72 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.57 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 -1.96 0.00 -2.32 0.00 -0.58 0.41 -4.90 120.64 111.29 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 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 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 3.24 0.12 0.62 0.00 -1.19 -4.38 121.76 120.17 3hye s ALA 71 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 3hye s ALA 71 Cb 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 3hye s ALA 71 CO 0.00 -0.77 1.44 -0.51 0.00 0.00 0.00 175.76 175.92 3hye s LEU 74 N -5.02 4.37 0.26 0.00 1.43 -1.26 -5.02 118.68 113.44 3hye s LEU 74 Ca 0.53 2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 55.97 3hye s LEU 74 Cb -0.11 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3hye s LEU 74 CO 0.47 -0.70 0.51 -1.61 0.23 0.00 0.00 176.35 175.25 3hye s GLU 75 N 1.24 3.61 0.32 1.70 0.41 -1.26 -4.92 118.70 119.79 3hye s GLU 75 Ca 0.66 -0.07 -0.00 0.00 -0.41 0.00 0.00 54.97 55.14 3hye s GLU 75 Cb -0.38 -2.70 0.52 0.00 -1.78 0.00 0.00 34.13 29.80 3hye s GLU 75 CO 0.30 0.27 1.99 -1.35 -0.49 0.00 0.00 175.26 175.97 3hye h PRO 76 N 1.80 0.98 0.00 0.39 0.11 -1.84 -1.58 132.00 131.86 3hye h PRO 76 Ca -0.48 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3hye h PRO 76 Cb 1.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3hye h PRO 76 CO 0.67 0.65 -0.22 0.66 -0.21 0.00 0.00 178.00 179.54 3hye h SER 77 N 1.01 0.00 -0.06 -2.05 4.64 -1.96 -0.92 113.55 114.22 3hye h SER 77 Ca 0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3hye h SER 77 Cb -0.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3hye h SER 77 CO -0.06 0.22 -0.50 1.88 -0.87 0.00 0.00 176.83 177.51 3hye h TYR 78 N 0.00 0.62 -0.81 4.77 0.05 -1.70 -1.87 116.97 118.03 3hye h TYR 78 Ca -0.00 -0.29 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 3hye h TYR 78 Cb 0.47 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 3hye h TYR 78 CO 0.00 1.08 0.51 0.82 -1.05 0.00 0.00 178.16 179.51 3hye h ILE 79 N -0.01 1.22 -0.05 -2.88 2.04 -1.13 -1.55 117.51 115.15 3hye h ILE 79 Ca -0.04 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hye h ILE 79 Cb 1.16 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3hye h ILE 79 CO 0.10 0.23 -0.03 0.15 0.00 0.00 0.00 178.15 178.60 3hye h PHE 80 N 1.11 0.13 -0.57 1.37 3.04 -1.19 -2.26 116.94 118.56 3hye h PHE 80 Ca 0.29 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.28 3hye h PHE 80 Cb -0.07 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 3hye h PHE 80 CO -0.01 0.51 0.38 1.49 -2.02 0.00 0.00 178.31 178.66 3hye h GLU 81 N -0.30 0.52 0.72 1.11 4.57 -1.19 0.16 114.58 120.17 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 0.48 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3hye h GLU 81 CO 0.01 0.34 -0.35 -0.92 -1.18 0.00 0.00 179.01 176.91 3hye h TYR 82 N 0.53 -0.90 -0.65 0.92 3.20 -1.16 -1.11 116.97 117.80 3hye h TYR 82 Ca 0.25 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.17 3hye h TYR 82 Cb 0.30 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 3hye h TYR 82 CO -0.00 -0.54 0.33 -0.07 -1.64 0.00 0.00 178.16 176.25 3hye h LEU 83 N -1.16 0.46 -0.76 2.82 3.38 -0.95 -0.84 115.31 118.26 3hye h LEU 83 Ca -0.10 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hye h LEU 83 Cb 0.77 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3hye h LEU 83 CO 0.16 0.29 0.45 0.00 0.09 0.00 0.00 178.44 179.43 3hye h ALA 84 N 1.37 1.04 -0.07 1.53 0.00 -0.67 0.27 119.26 122.74 3hye h ALA 84 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hye h ALA 84 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hye h ALA 84 CO -0.22 0.15 0.04 1.15 0.00 0.00 0.00 179.25 180.38 3hye h THR 85 N 0.82 1.01 -0.32 0.00 2.02 0.03 -1.44 112.91 115.03 3hye h THR 85 Ca 0.34 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 3hye h THR 85 Cb 0.19 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3hye h THR 85 CO -0.18 0.02 0.17 0.58 0.37 0.00 0.00 175.52 176.47 3hye h VAL 86 N 0.09 1.14 -0.50 3.16 2.07 -0.35 -1.63 116.25 120.23 3hye h VAL 86 Ca 0.03 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3hye h VAL 86 Cb -0.01 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3hye h VAL 86 CO -0.01 0.14 0.24 0.24 0.02 0.00 0.00 177.57 178.20 3hye h MET 87 N 0.39 0.45 -0.28 1.57 2.86 -0.29 -0.23 114.93 119.39 3hye h MET 87 Ca 0.11 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3hye h MET 87 Cb 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3hye h MET 87 CO -0.02 0.30 -0.35 -0.92 1.06 0.00 0.00 176.91 176.98 3hye h TYR 88 N 0.46 0.74 -0.54 -0.22 5.03 -1.10 -1.77 116.97 119.57 3hye h TYR 88 Ca 0.22 -0.20 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3hye h TYR 88 Cb 0.16 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 3hye h TYR 88 CO -0.11 0.90 0.03 1.96 -1.32 0.00 0.00 178.16 179.62 3hye h GLN 89 N 0.53 0.94 -0.33 1.82 4.20 -0.90 -1.46 115.11 119.91 3hye h GLN 89 Ca 0.05 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 3hye h GLN 89 Cb 0.86 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3hye h GLN 89 CO 0.07 0.94 -0.20 0.00 -0.67 0.00 0.00 178.83 178.97 3hye h ARG 90 N 0.82 0.61 -0.02 1.46 2.47 -0.91 -2.01 114.38 116.80 3hye h ARG 90 Ca 0.16 -0.22 -0.15 0.00 -1.26 0.00 0.00 59.98 58.51 3hye h ARG 90 Cb 0.49 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3hye h ARG 90 CO 0.02 0.77 -0.66 0.07 0.56 0.00 0.00 179.97 180.74 3hye h ARG 91 N 0.55 0.10 0.00 0.04 -0.00 -1.20 -1.14 114.38 112.73 3hye h ARG 91 Ca 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 3hye h ARG 91 Cb 0.64 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.63 3hye h ARG 91 CO 0.05 0.72 0.00 0.77 -0.00 0.00 0.00 179.97 181.50 3hye h SER 92 N 0.07 0.00 -0.66 0.08 0.02 -0.76 -1.32 113.55 110.98 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 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3hye h SER 92 CO 0.09 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 3hye n LYS 92 N -2.51 2.68 -2.14 3.45 5.02 -0.80 -4.93 118.16 118.93 3hye n LYS 92 Ca 0.02 -2.58 -0.19 0.00 -2.02 0.00 0.00 58.31 53.55 3hye n LYS 92 Cb 0.30 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.62 -1.43 -3.25 1.97 2.81 -0.50 -4.86 117.12 113.48 3hye n MET 92 Ca 0.23 0.97 -0.24 0.00 -1.81 0.00 0.00 57.70 56.85 3hye n MET 92 Cb 0.62 -5.43 -0.08 0.00 -0.71 0.00 0.00 33.22 27.62 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 -1.40 -0.25 -4.80 7.83 4.05 -0.45 0.14 115.26 120.38 3hye n ASN 93 Ca -0.21 -2.58 -0.31 0.00 0.45 0.00 0.00 54.58 51.92 3hye n ASN 93 Cb 0.65 -0.49 0.06 0.00 1.23 0.00 0.00 39.78 41.23 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 -0.60 2.80 -0.49 1.20 0.04 -1.17 -4.53 135.00 132.25 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 0.12 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.73 3hye s PRO 94 CO -0.15 -1.21 0.65 -0.51 0.04 0.00 0.00 177.00 175.82 3hye s LEU 95 N -5.54 4.78 -0.67 -3.56 1.43 -1.26 -4.93 118.68 108.93 3hye s LEU 95 Ca 0.59 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 3hye s LEU 95 Cb -0.15 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.42 3hye s LEU 95 CO 0.54 -0.89 1.85 1.87 0.23 0.00 0.00 176.35 179.95 3hye n TRP 96 N 6.29 1.26 -4.28 0.29 -0.00 -1.26 -4.22 117.44 115.52 3hye n TRP 96 Ca -0.05 -1.59 -0.15 0.00 -0.00 0.00 0.00 57.50 55.71 3hye n TRP 96 Cb 0.46 -1.47 -0.10 0.00 -0.00 0.00 0.00 31.31 30.20 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 4.51 1.14 -0.12 5.87 -0.87 -1.26 -0.44 114.94 123.76 3hye s ASN 97 Ca 0.43 -1.30 -0.00 0.00 -1.57 0.00 0.00 52.86 50.42 3hye s ASN 97 Cb 0.11 0.16 0.03 0.00 -0.02 0.00 0.00 41.25 41.52 3hye s ASN 97 CO 0.06 -0.67 -0.08 0.00 -2.57 0.00 0.00 177.10 173.84 3hye s ALA 98 N -3.74 1.39 0.08 0.60 0.00 -0.72 -0.65 121.76 118.73 3hye s ALA 98 Ca 0.32 -0.61 0.10 0.00 0.00 0.00 0.00 51.96 51.77 3hye s ALA 98 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3hye s ALA 98 CO 0.10 -0.46 -0.26 0.42 0.00 0.00 0.00 175.76 175.55 3hye s ILE 99 N 1.68 2.15 -0.08 0.00 1.01 0.97 -1.11 121.20 125.82 3hye s ILE 99 Ca 0.04 -1.53 -0.00 0.00 0.00 0.00 0.00 60.65 59.16 3hye s ILE 99 Cb -0.13 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.49 3hye s ILE 99 CO -0.08 0.24 -0.05 -0.63 0.00 0.00 0.00 174.94 174.42 3hye s ILE 100 N -0.92 0.72 -0.27 2.92 1.01 -0.53 -1.11 121.20 123.02 3hye s ILE 100 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 3hye s ILE 100 Cb -0.10 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 3hye s ILE 100 CO 0.04 0.30 0.16 -0.69 0.00 0.00 0.00 174.94 174.75 3hye s VAL 101 N 1.55 5.08 -0.09 2.92 1.01 0.11 -0.82 120.40 130.16 3hye s VAL 101 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3hye s VAL 101 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hye s VAL 101 CO -0.04 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.15 3hye s ALA 102 N 1.71 2.44 -0.03 5.51 0.00 -0.06 -2.33 121.76 129.01 3hye s ALA 102 Ca 0.07 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 3hye s ALA 102 Cb -0.16 -0.98 0.07 0.00 0.00 0.00 0.00 23.12 22.06 3hye s ALA 102 CO 0.09 0.35 0.94 0.41 0.00 0.00 0.00 175.76 177.55 3hye n GLY 103 N 3.18 0.30 3.10 0.00 0.00 -0.18 -0.14 105.19 111.45 3hye n GLY 103 Ca -0.18 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.04 1.66 1.03 1.61 1.01 -0.64 0.83 120.40 123.85 3hye s VAL 104 Ca 0.22 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3hye s VAL 104 Cb -0.00 -1.49 0.21 0.00 0.00 0.00 0.00 36.38 35.09 3hye s VAL 104 CO -0.01 0.47 1.08 -1.10 0.00 0.00 0.00 175.10 175.54 3hye s GLN 105 N 0.86 0.15 0.51 2.72 -1.52 0.84 -4.68 119.66 118.54 3hye s GLN 105 Ca -0.08 0.67 0.25 0.00 -1.95 0.00 0.00 55.36 54.24 3hye s GLN 105 Cb -0.15 -1.69 1.40 0.00 -0.22 0.00 0.00 33.01 32.34 3hye s GLN 105 CO -0.00 -2.96 2.08 0.66 -0.25 0.00 0.00 175.29 174.81 3hye h SER 10 N -2.06 0.00 -0.41 5.90 4.64 -1.98 -1.23 113.55 118.40 3hye h SER 10 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hye h SER 10 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hye h SER 10 CO 0.55 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.17 3hye n ASN 10 N -3.81 2.48 0.00 4.97 6.94 -1.26 -4.92 115.26 119.66 3hye n ASN 10 Ca -0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 3hye n ASN 10 Cb 0.22 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 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 1.05 2.97 3.71 4.83 0.00 -0.47 -5.03 105.19 112.25 3hye n GLY 106 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 2.60 -4.79 1.61 10.43 -1.26 -4.59 116.55 120.55 3hye n ASP 107 Ca 0.00 1.09 -0.36 0.00 2.57 0.00 0.00 54.79 58.10 3hye n ASP 107 Cb 0.00 -1.51 -0.06 0.00 1.84 0.00 0.00 41.12 41.38 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 -2.29 4.38 -0.10 -1.24 1.11 -1.26 -0.12 119.66 120.15 3hye s GLN 108 Ca 0.62 1.29 0.01 0.00 0.01 0.00 0.00 55.36 57.29 3hye s GLN 108 Cb -0.49 -2.54 0.02 0.00 -1.01 0.00 0.00 33.01 28.98 3hye s GLN 108 CO 0.57 0.10 -0.11 0.12 0.01 0.00 0.00 175.29 175.98 3hye s PHE 109 N -1.81 1.58 -0.23 0.91 2.19 0.24 -4.83 117.98 116.03 3hye s PHE 109 Ca 0.56 -0.73 -0.03 0.00 0.33 0.00 0.00 56.93 57.06 3hye s PHE 109 Cb -0.16 -1.23 0.12 0.00 -1.31 0.00 0.00 43.02 40.44 3hye s PHE 109 CO 0.21 -0.44 0.29 -1.17 1.83 0.00 0.00 175.22 175.94 3hye s LEU 110 N 1.25 -0.32 0.02 6.12 2.96 -1.25 -1.01 118.68 126.44 3hye s LEU 110 Ca -0.03 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3hye s LEU 110 Cb -0.14 0.67 -0.01 0.00 0.50 0.00 0.00 46.19 47.21 3hye s LEU 110 CO -0.04 -0.33 0.03 -0.60 -1.32 0.00 0.00 176.35 174.10 3hye s ARG 111 N 2.41 0.39 0.07 1.98 3.52 -0.98 -4.29 118.95 122.04 3hye s ARG 111 Ca 0.09 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 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 -0.18 -0.08 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.67 3hye s TYR 112 N -1.55 2.77 -0.13 5.12 5.04 -0.42 -0.71 117.35 127.46 3hye s TYR 112 Ca -0.14 -0.13 -0.11 0.00 -2.44 0.00 0.00 57.07 54.24 3hye s TYR 112 Cb -0.08 -1.49 0.04 0.00 0.35 0.00 0.00 41.96 40.77 3hye s TYR 112 CO -0.01 0.39 0.34 0.54 -1.34 0.00 0.00 175.55 175.48 3hye s VAL 113 N -1.12 -0.00 0.12 3.14 0.11 -0.26 -2.37 120.40 120.01 3hye s VAL 113 Ca 0.20 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 3hye s VAL 113 Cb -0.11 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3hye s VAL 113 CO 0.11 0.01 0.03 -0.46 -3.33 0.00 0.00 175.10 171.45 3hye n ASN 114 N 3.05 1.51 0.26 3.54 0.23 -0.98 -0.02 115.26 122.85 3hye n ASN 114 Ca -0.14 -1.59 0.16 0.00 -0.53 0.00 0.00 54.58 52.48 3hye n ASN 114 Cb 0.57 0.21 0.87 0.00 -2.08 0.00 0.00 39.78 39.36 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 -0.06 -4.53 -0.00 -1.05 0.67 115.31 110.34 3hye h LEU 115 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 3hye h LEU 115 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3hye h LEU 115 CO 0.15 0.00 -0.52 0.18 -0.00 0.00 0.00 178.44 178.26 3hye n LEU 116 N -2.67 0.61 0.00 0.17 4.77 -1.26 -4.42 117.00 114.20 3hye n LEU 116 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3hye n LEU 116 Cb 0.12 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3hye n LEU 116 CO 0.14 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3hye n GLY 117 N 1.48 0.75 3.75 -0.72 0.00 0.23 -4.75 105.19 105.94 3hye n GLY 117 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.93 2.84 0.03 1.61 1.01 -1.26 -4.77 120.40 116.93 3hye s VAL 118 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.75 3hye s VAL 118 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3hye s VAL 118 CO 0.00 0.14 -0.06 0.42 0.00 0.00 0.00 175.10 175.61 3hye s THR 119 N -0.45 0.35 -0.02 3.92 -4.23 -1.26 -2.32 115.64 111.63 3hye s THR 119 Ca 0.54 -1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 3hye s THR 119 Cb -0.39 -0.45 0.10 0.00 1.34 0.00 0.00 72.50 73.10 3hye s THR 119 CO 0.46 -0.43 0.89 -0.72 -0.54 0.00 0.00 174.62 174.27 3hye s TYR 120 N -1.41 -0.36 0.14 3.99 -0.85 -1.00 -4.99 117.35 112.88 3hye s TYR 120 Ca -0.13 0.29 0.09 0.00 -0.52 0.00 0.00 57.07 56.80 3hye s TYR 120 Cb -0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3hye s TYR 120 CO -0.00 -0.53 -0.21 -1.12 -1.52 0.00 0.00 175.55 172.16 3hye s SER 121 N -2.30 2.85 -0.07 -0.18 0.01 -1.26 -1.30 113.70 111.45 3hye s SER 121 Ca 0.04 -0.79 -0.29 0.00 1.31 0.00 0.00 55.95 56.21 3hye s SER 121 Cb -0.01 -0.18 0.11 0.00 0.21 0.00 0.00 66.02 66.15 3hye s SER 121 CO -0.07 0.05 0.89 -0.55 0.41 0.00 0.00 173.24 173.97 3hye s SER 122 N -2.34 -0.42 0.54 2.44 0.15 -1.26 -5.02 113.70 107.80 3hye s SER 122 Ca 0.13 0.28 0.28 0.00 0.70 0.00 0.00 55.95 57.34 3hye s SER 122 Cb -0.08 0.38 1.45 0.00 -1.71 0.00 0.00 66.02 66.06 3hye s SER 122 CO 0.06 -0.52 1.95 -0.65 1.20 0.00 0.00 173.24 175.29 3hye h PRO 123 N 2.39 0.00 -5.12 5.44 0.11 -1.94 -3.40 132.00 129.48 3hye h PRO 123 Ca -0.22 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.50 3hye h PRO 123 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.07 3hye h PRO 123 CO 0.33 0.00 -0.78 0.95 -0.21 0.00 0.00 178.00 178.29 3hye s THR 124 N -4.93 0.96 -0.11 -1.15 -4.23 -1.26 -1.79 115.64 103.13 3hye s THR 124 Ca -0.05 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 3hye s THR 124 Cb 0.19 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 73.16 3hye s THR 124 CO 0.71 -0.12 0.27 -0.76 -0.54 0.00 0.00 174.62 174.18 3hye s LEU 125 N -1.32 0.72 0.02 4.79 1.43 -0.39 -4.98 118.68 118.95 3hye s LEU 125 Ca -0.02 0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3hye s LEU 125 Cb -0.08 0.88 -0.00 0.00 0.03 0.00 0.00 46.19 47.01 3hye s LEU 125 CO 0.01 -0.12 0.13 0.00 0.23 0.00 0.00 176.35 176.60 3hye s ALA 126 N 0.61 -0.26 0.25 4.21 0.00 -1.26 -0.57 121.76 124.74 3hye s ALA 126 Ca -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.73 3hye s ALA 126 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3hye s ALA 126 CO -0.04 -0.26 0.10 0.95 0.00 0.00 0.00 175.76 176.51 3hye s THR 127 N -1.90 3.99 0.00 0.00 -4.23 -0.48 -4.30 115.64 108.73 3hye s THR 127 Ca -0.11 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3hye s THR 127 Cb -0.05 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.65 3hye s THR 127 CO -0.01 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3hye n GLY 128 N -0.99 2.85 0.31 3.99 0.00 -1.26 -1.88 105.19 108.20 3hye n GLY 128 Ca -0.07 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.78 0.00 1.61 3.04 -1.95 -0.78 116.94 119.64 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 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.29 3hye h PHE 129 CO 0.00 0.22 0.00 0.78 -2.02 0.00 0.00 178.31 177.29 3hye h GLY 130 N 0.66 0.00 1.68 2.40 0.00 -1.73 -1.37 103.07 104.70 3hye h GLY 130 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.65 3hye h GLY 130 CO -0.33 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 175.75 3hye h ALA 131 N 2.06 0.95 0.08 3.60 0.00 -1.13 0.27 119.26 125.09 3hye h ALA 131 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 3hye h ALA 131 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hye h ALA 131 CO 0.00 0.64 -1.51 0.45 0.00 0.00 0.00 179.25 178.83 3hye h HIS 132 N 0.29 0.32 0.00 0.00 -0.00 -1.37 -3.37 115.15 111.02 3hye h HIS 132 Ca 0.02 -0.23 -0.20 0.00 -0.00 0.00 0.00 60.37 59.96 3hye h HIS 132 Cb 0.92 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.28 3hye h HIS 132 CO 0.02 1.29 -1.76 -1.33 -0.00 0.00 0.00 177.93 176.15 3hye n MET 133 N -3.37 2.20 -0.03 2.45 2.81 -0.98 -4.59 117.12 115.61 3hye n MET 133 Ca -0.15 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.55 3hye n MET 133 Cb 1.03 -1.28 -0.13 0.00 -0.71 0.00 0.00 33.22 32.12 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 0.54 0.07 -0.67 3.04 0.00 -0.72 -3.35 119.26 118.17 3hye h ALA 134 Ca -0.30 -0.81 0.13 0.00 0.00 0.00 0.00 54.91 53.93 3hye h ALA 134 Cb 1.68 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.64 3hye h ALA 134 CO 0.02 0.40 0.16 -0.91 0.00 0.00 0.00 179.25 178.92 3hye h ASN 135 N -0.70 0.02 -0.73 0.00 2.35 -1.53 -0.15 115.58 114.84 3hye h ASN 135 Ca -0.17 0.13 0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3hye h ASN 135 Cb 1.38 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 39.87 3hye h ASN 135 CO 0.01 -0.00 0.48 -0.65 -1.65 0.00 0.00 177.43 175.62 3hye h PRO 136 N 0.27 0.61 0.03 0.81 0.11 -1.81 0.25 132.00 132.27 3hye h PRO 136 Ca 0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3hye h PRO 136 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3hye h PRO 136 CO -0.45 0.41 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.66 3hye h LEU 137 N 0.63 -0.03 -1.68 2.35 3.38 -1.28 -3.20 115.31 115.49 3hye h LEU 137 Ca 0.34 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3hye h LEU 137 Cb 0.47 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hye h LEU 137 CO -0.12 0.72 0.08 -0.07 0.09 0.00 0.00 178.44 179.14 3hye h LEU 138 N -0.83 0.25 -0.71 1.67 3.38 -0.79 -0.81 115.31 117.48 3hye h LEU 138 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 138 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hye h LEU 138 CO 0.01 0.24 0.00 0.03 0.09 0.00 0.00 178.44 178.81 3hye h ARG 139 N 0.29 0.00 0.00 1.13 3.08 -0.59 -1.52 114.38 116.77 3hye h ARG 139 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hye h ARG 139 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hye h ARG 139 CO -0.01 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.52 3hye n LYS 140 N -2.42 0.22 -0.13 0.04 5.02 -0.31 -2.37 118.16 118.21 3hye n LYS 140 Ca 0.02 0.26 -0.26 0.00 -2.02 0.00 0.00 58.31 56.32 3hye n LYS 140 Cb 0.28 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 3hye n LYS 140 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hye n VAL 141 N -2.18 1.52 -3.88 -0.18 0.31 -0.72 -4.81 118.33 108.39 3hye n VAL 141 Ca 0.05 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 3hye n VAL 141 Cb 0.36 -1.97 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.54 2.13 -0.14 2.52 -7.23 -0.65 -4.94 120.40 109.55 3hye s VAL 14 Ca -0.36 -2.89 0.16 0.00 -1.81 0.00 0.00 61.98 57.08 3hye s VAL 14 Cb 0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3hye s VAL 14 CO 0.49 -0.80 1.14 -0.78 -0.31 0.00 0.00 175.10 174.84 3hye h ASP 14 N 6.78 0.00 -5.40 4.85 -0.00 -1.74 -3.40 116.42 117.51 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 0.92 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 40.17 3hye h ASP 14 CO 0.60 0.53 -0.16 0.00 -0.00 0.00 0.00 179.24 180.21 3hye s ARG 14 N -2.95 1.79 0.22 0.28 3.03 -1.26 -5.04 118.95 115.02 3hye s ARG 14 Ca 0.01 -1.58 -0.08 0.00 2.03 0.00 0.00 55.73 56.11 3hye s ARG 14 Cb 0.08 0.46 0.33 0.00 -1.03 0.00 0.00 34.95 34.78 3hye s ARG 14 CO 0.78 -0.75 1.75 1.49 -1.13 0.00 0.00 175.30 177.44 3hye h GLU 14 N 2.17 0.45 0.00 3.89 4.57 -2.02 -1.43 114.58 122.21 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 29.73 3hye h GLU 14 CO 0.39 0.30 0.00 -1.13 -1.18 0.00 0.00 179.01 177.39 3hye n SER 14 N -4.96 0.08 0.12 1.04 3.41 -1.26 -1.44 113.62 110.61 3hye n SER 14 Ca 0.10 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3hye n SER 14 Cb 0.30 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.12 4.04 3.45 -1.63 -3.38 116.42 119.01 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 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hye h ASP 14 CO 0.00 0.03 -0.06 0.40 -1.57 0.00 0.00 179.24 178.04 3hye h ILE 14 N 0.00 0.91 0.00 0.35 5.03 -1.37 -2.55 117.51 119.87 3hye h ILE 14 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 3hye h ILE 14 Cb 0.92 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.66 3hye h ILE 14 CO 0.00 0.02 0.00 1.55 -0.68 0.00 0.00 178.15 179.04 3hye h PRO 144 N -0.19 0.00 -0.13 2.37 0.13 -1.77 -0.23 132.00 132.18 3hye h PRO 144 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hye h PRO 144 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 3hye h PRO 144 CO 0.03 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.43 3hye n LYS 145 N -2.98 1.80 -4.40 0.86 5.02 -0.98 -4.68 118.16 112.80 3hye n LYS 145 Ca -0.02 -1.19 -0.34 0.00 -2.02 0.00 0.00 58.31 54.75 3hye n LYS 145 Cb 0.12 -1.43 -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 -1.84 3.64 0.32 -0.18 2.01 -0.54 -5.01 115.64 114.05 3hye s THR 146 Ca 0.34 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3hye s THR 146 Cb 0.19 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3hye s THR 146 CO 0.29 0.49 0.52 0.42 -0.69 0.00 0.00 174.62 175.65 3hye s THR 147 N 0.55 5.12 0.37 -0.82 -4.23 -1.26 -0.90 115.64 114.47 3hye s THR 147 Ca -0.04 -0.45 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 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 1.92 0.58 -0.54 0.00 0.00 174.62 176.12 3hye h VAL 148 N 0.91 0.91 0.10 2.29 2.07 -1.98 0.25 116.25 120.79 3hye h VAL 148 Ca -0.50 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3hye h VAL 148 Cb 1.21 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3hye h VAL 148 CO 0.62 0.12 -0.05 1.56 0.02 0.00 0.00 177.57 179.85 3hye h GLN 149 N 0.67 -0.12 -0.05 1.57 7.50 -1.98 0.29 115.11 122.98 3hye h GLN 149 Ca 0.38 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.53 3hye h GLN 149 Cb 0.55 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 3hye h GLN 149 CO -0.15 0.13 0.03 0.28 -1.50 0.00 0.00 178.83 177.62 3hye h VAL 150 N -0.37 1.03 0.28 -0.54 2.07 -1.80 -1.00 116.25 115.92 3hye h VAL 150 Ca -0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hye h VAL 150 Cb 0.31 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hye h VAL 150 CO 0.02 0.02 -0.23 0.00 0.02 0.00 0.00 177.57 177.40 3hye h ALA 151 N 1.00 -0.50 -0.50 1.67 0.00 -0.92 -0.16 119.26 119.84 3hye h ALA 151 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hye h ALA 151 Cb 0.01 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hye h ALA 151 CO -0.00 -0.81 0.33 1.49 0.00 0.00 0.00 179.25 180.26 3hye h GLU 152 N -0.52 0.46 -0.07 0.00 4.81 -0.36 -1.42 114.58 117.48 3hye h GLU 152 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hye h GLU 152 Cb 0.47 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3hye h GLU 152 CO -0.02 0.30 0.01 1.49 -0.73 0.00 0.00 179.01 180.06 3hye h GLU 153 N 0.47 0.12 -0.15 1.92 4.81 -0.53 -0.83 114.58 120.40 3hye h GLU 153 Ca 0.21 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3hye h GLU 153 Cb 0.24 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3hye h GLU 153 CO -0.06 0.33 -0.08 0.00 -0.73 0.00 0.00 179.01 178.48 3hye h ALA 154 N 0.78 0.05 -0.32 2.92 0.00 -0.19 -0.78 119.26 121.72 3hye h ALA 154 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 154 Cb 0.27 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hye h ALA 154 CO 0.00 -0.52 0.21 0.82 0.00 0.00 0.00 179.25 179.76 3hye h ILE 155 N -0.06 1.07 -0.91 0.00 2.04 -1.24 -0.16 117.51 118.24 3hye h ILE 155 Ca 0.09 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3hye h ILE 155 Cb 0.19 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3hye h ILE 155 CO -0.19 0.08 0.60 0.58 0.00 0.00 0.00 178.15 179.21 3hye h VAL 156 N 0.42 1.24 -0.48 1.67 2.07 -0.83 -0.20 116.25 120.14 3hye h VAL 156 Ca 0.12 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3hye h VAL 156 Cb -0.04 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.61 3hye h VAL 156 CO -0.04 0.23 0.05 -1.13 0.02 0.00 0.00 177.57 176.71 3hye h ASN 157 N 1.24 0.79 -0.88 0.57 -0.73 -0.66 -2.64 115.58 113.27 3hye h ASN 157 Ca 0.33 -0.28 0.04 0.00 1.87 0.00 0.00 56.30 58.26 3hye h ASN 157 Cb -0.13 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.20 3hye h ASN 157 CO -0.07 0.87 0.57 0.00 -0.37 0.00 0.00 177.43 178.42 3hye h ALA 158 N 0.95 1.17 -0.52 1.57 0.00 -0.25 -0.72 119.26 121.47 3hye h ALA 158 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hye h ALA 158 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hye h ALA 158 CO 0.01 0.41 0.31 0.52 0.00 0.00 0.00 179.25 180.50 3hye h MET 159 N 1.09 0.69 -0.19 0.00 2.86 -0.76 -0.17 114.93 118.46 3hye h MET 159 Ca 0.36 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.88 3hye h MET 159 Cb 0.03 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3hye h MET 159 CO -0.13 0.49 -0.14 -0.09 1.06 0.00 0.00 176.91 178.10 3hye h ARG 160 N 0.71 0.43 -0.64 1.72 2.43 -0.85 -2.16 114.38 116.02 3hye h ARG 160 Ca 0.19 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3hye h ARG 160 Cb -0.03 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3hye h ARG 160 CO -0.04 0.76 0.40 0.28 -1.51 0.00 0.00 179.97 179.86 3hye h VAL 161 N 0.10 1.10 -0.17 0.20 2.07 -0.63 -0.68 116.25 118.23 3hye h VAL 161 Ca 0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3hye h VAL 161 Cb 0.66 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hye h VAL 161 CO 0.04 0.15 0.07 -0.07 0.02 0.00 0.00 177.57 177.77 3hye h LEU 162 N 0.80 0.21 -0.70 2.57 3.38 -0.97 -0.38 115.31 120.21 3hye h LEU 162 Ca 0.25 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3hye h LEU 162 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hye h LEU 162 CO -0.09 0.19 -0.46 0.22 0.09 0.00 0.00 178.44 178.39 3hye h TYR 163 N 0.24 0.00 -0.07 1.13 3.20 -0.49 -0.21 116.97 120.77 3hye h TYR 163 Ca 0.06 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 3hye h TYR 163 Cb 0.05 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.33 3hye h TYR 163 CO 0.00 0.46 -0.48 1.88 -1.64 0.00 0.00 178.16 178.38 3hye h TYR 164 N 0.00 0.62 0.00 -3.82 0.05 0.04 -3.40 116.97 110.47 3hye h TYR 164 Ca -0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3hye h TYR 164 Cb 1.05 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3hye h TYR 164 CO 0.00 1.06 -0.52 0.54 -1.05 0.00 0.00 178.16 178.19 3hye n ARG 165 N -4.28 3.35 -3.32 4.88 5.12 -0.77 -4.94 116.66 116.71 3hye n ARG 165 Ca -0.09 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.42 3hye n ARG 165 Cb 0.59 -1.02 -0.09 0.00 -1.16 0.00 0.00 32.46 30.78 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 -2.04 6.22 0.00 0.55 3.68 -0.09 -4.94 116.67 120.05 3hye s ASP 166 Ca 0.04 -0.36 0.14 0.00 2.13 0.00 0.00 52.55 54.49 3hye s ASP 166 Cb 0.08 -2.23 0.76 0.00 -1.45 0.00 0.00 42.92 40.09 3hye s ASP 166 CO 0.45 -0.49 1.28 0.00 0.13 0.00 0.00 175.17 176.55 3hye n ALA 167 N 5.59 1.92 -1.30 3.66 0.00 -1.26 -2.31 120.51 126.81 3hye n ALA 167 Ca -0.07 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3hye n ALA 167 Cb 0.48 -1.22 0.17 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 -1.11 1.42 -3.74 0.00 5.12 -1.26 -5.04 116.66 112.04 3hye n ARG 168 Ca 0.09 -2.90 -0.21 0.00 -1.93 0.00 0.00 57.85 52.91 3hye n ARG 168 Cb 0.07 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 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 -3.03 5.58 0.22 0.55 1.04 -0.98 -4.60 113.70 112.48 3hye s SER 169 Ca 0.35 -0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.53 3hye s SER 169 Cb 0.32 -1.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.25 3hye s SER 169 CO -0.01 -0.33 -0.19 -0.55 0.98 0.00 0.00 173.24 173.13 3hye s SER 170 N -4.04 3.17 0.25 7.02 0.15 -1.26 -5.04 113.70 113.96 3hye s SER 170 Ca 0.41 -0.96 0.13 0.00 0.70 0.00 0.00 55.95 56.23 3hye s SER 170 Cb -0.07 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.10 3hye s SER 170 CO 0.28 -0.00 1.45 -0.09 1.20 0.00 0.00 173.24 176.08 3hye h ARG 171 N 2.72 0.00 -6.22 5.44 2.43 -1.97 -3.45 114.38 113.32 3hye h ARG 171 Ca -0.41 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.18 3hye h ARG 171 Cb 1.23 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3hye h ARG 171 CO 0.56 0.62 -0.12 -0.80 -1.51 0.00 0.00 179.97 178.71 3hye s ASN 172 N -6.53 6.83 0.23 -3.80 -0.87 -1.26 -2.05 114.94 107.49 3hye s ASN 172 Ca 0.03 1.04 -0.21 0.00 -1.57 0.00 0.00 52.86 52.14 3hye s ASN 172 Cb 0.09 -2.27 0.04 0.00 -0.02 0.00 0.00 41.25 39.08 3hye s ASN 172 CO 0.76 0.18 0.66 0.72 -2.57 0.00 0.00 177.10 176.84 3hye s PHE 173 N -1.34 -0.29 0.08 2.20 -0.12 -0.98 -1.18 117.98 116.36 3hye s PHE 173 Ca 0.33 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 57.21 3hye s PHE 173 Cb -0.16 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3hye s PHE 173 CO 0.18 -1.08 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.01 3hye s SER 174 N -2.86 4.12 0.00 1.98 0.01 -0.73 -1.28 113.70 114.94 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 -0.73 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3hye s SER 174 CO -0.00 0.21 -0.04 -0.22 0.41 0.00 0.00 173.24 173.60 3hye s LEU 175 N -1.89 2.05 0.02 2.44 0.20 -0.02 -2.15 118.68 119.33 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 -0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.48 3hye s LEU 175 CO 0.10 -0.01 -0.07 0.00 -0.29 0.00 0.00 176.35 176.08 3hye s ALA 176 N -0.34 0.52 -0.04 5.97 0.00 0.31 0.40 121.76 128.58 3hye s ALA 176 Ca -0.01 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.50 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 -0.18 0.42 0.00 0.00 0.00 175.76 176.05 3hye s ILE 177 N -0.72 1.51 -0.32 0.00 1.01 0.28 -1.13 121.20 121.84 3hye s ILE 177 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3hye s ILE 177 Cb -0.06 -1.28 0.10 0.00 0.01 0.00 0.00 42.46 41.23 3hye s ILE 177 CO 0.00 0.43 0.06 -0.63 0.00 0.00 0.00 174.94 174.80 3hye s ILE 178 N -0.12 1.59 -0.10 2.92 1.09 -0.25 -0.09 121.20 126.23 3hye s ILE 178 Ca -0.01 -1.81 -0.03 0.00 -1.10 0.00 0.00 60.65 57.70 3hye s ILE 178 Cb -0.10 -2.15 -0.03 0.00 -1.06 0.00 0.00 42.46 39.11 3hye s ILE 178 CO 0.01 -0.58 0.03 -0.62 -0.10 0.00 0.00 174.94 173.68 3hye s ASP 179 N 1.27 5.43 0.00 3.58 -1.08 0.55 -1.69 116.67 124.73 3hye s ASP 179 Ca 0.09 0.18 0.09 0.00 -0.52 0.00 0.00 52.55 52.39 3hye s ASP 179 Cb -0.18 -1.62 0.48 0.00 -1.46 0.00 0.00 42.92 40.15 3hye s ASP 179 CO -0.15 0.36 1.16 2.29 0.52 0.00 0.00 175.17 179.35 3hye n LYS 180 N 2.26 0.15 0.02 4.34 2.85 0.56 -0.95 118.16 127.38 3hye n LYS 180 Ca -0.19 0.18 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 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 -1.26 0.88 0.00 -5.58 3.02 -1.26 -4.75 115.26 106.30 3hye n ASN 181 Ca 0.05 0.12 0.15 0.00 -0.03 0.00 0.00 54.58 54.86 3hye n ASN 181 Cb 0.07 -0.28 0.83 0.00 -0.61 0.00 0.00 39.78 39.79 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 -3.44 0.02 -4.33 3.41 -2.24 -1.24 -5.01 114.28 101.45 3hye n THR 18 Ca -0.03 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hye n THR 18 Cb 0.21 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.00 0.43 3.65 3.38 0.00 -0.13 -4.74 105.19 108.77 3hye n GLY 183 Ca 0.19 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 4.10 -0.21 0.99 0.20 -1.26 -0.33 118.68 122.17 3hye s LEU 184 Ca 0.00 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.97 3hye s LEU 184 Cb 0.00 -2.20 0.01 0.00 -0.43 0.00 0.00 46.19 43.57 3hye s LEU 184 CO 0.00 0.00 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.07 3hye s THR 185 N 1.30 2.78 -0.30 3.68 2.01 0.87 -4.98 115.64 120.99 3hye s THR 185 Ca 0.10 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 3hye s THR 185 Cb -0.14 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.14 3hye s THR 185 CO 0.07 0.42 0.01 0.12 -0.69 0.00 0.00 174.62 174.54 3hye s PHE 186 N 1.38 3.24 -0.29 4.92 2.19 -1.26 -0.55 117.98 127.61 3hye s PHE 186 Ca 0.04 -1.78 -0.12 0.00 0.33 0.00 0.00 56.93 55.40 3hye s PHE 186 Cb -0.14 -2.12 -0.04 0.00 -1.31 0.00 0.00 43.02 39.40 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 1.28 3.90 0.27 10.12 1.02 0.16 -4.99 119.74 131.50 3hye s LYS 187 Ca -0.04 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 55.70 3hye s LYS 187 Cb -0.19 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 3hye s LYS 187 CO -0.01 -0.22 0.21 0.15 -0.92 0.00 0.00 175.35 174.56 3hye s LYS 188 N 1.79 2.86 -1.67 1.68 1.02 -1.26 -0.84 119.74 123.32 3hye s LYS 188 Ca 0.08 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 3hye s LYS 188 Cb -0.16 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3hye s LYS 188 CO 0.11 0.33 0.32 0.09 -0.92 0.00 0.00 175.35 175.28 3hye n ASN 189 N -1.22 -6.05 -4.78 2.83 4.13 -1.24 -4.99 115.26 103.94 3hye n ASN 189 Ca -0.06 -0.16 -0.30 0.00 1.68 0.00 0.00 54.58 55.74 3hye n ASN 189 Cb 0.58 -4.96 0.11 0.00 -1.54 0.00 0.00 39.78 33.98 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 -6.39 2.35 -0.02 3.41 1.02 -0.41 -4.85 118.68 113.79 3hye s LEU 190 Ca 0.16 1.24 -0.08 0.00 0.02 0.00 0.00 54.13 55.48 3hye s LEU 190 Cb -0.07 -3.73 0.01 0.00 0.02 0.00 0.00 46.19 42.41 3hye s LEU 190 CO 0.20 -2.28 0.17 -1.10 0.02 0.00 0.00 176.35 173.36 3hye s GLN 191 N -5.14 0.43 0.06 1.70 -0.21 -1.26 -2.31 119.66 112.93 3hye s GLN 191 Ca 0.62 -0.21 -0.31 0.00 0.02 0.00 0.00 55.36 55.49 3hye s GLN 191 Cb -0.15 0.19 -0.06 0.00 1.00 0.00 0.00 33.01 33.98 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 -1.00 3.81 0.27 1.09 1.01 -0.87 -4.99 120.40 119.72 3hye s VAL 192 Ca -0.11 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.17 3hye s VAL 192 Cb -0.06 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3hye s VAL 192 CO 0.01 0.08 0.08 -1.61 0.00 0.00 0.00 175.10 173.66 3hye s GLU 193 N 1.36 1.47 -1.18 2.72 0.41 -1.26 -4.89 118.70 117.33 3hye s GLU 193 Ca 0.61 -1.80 -0.04 0.00 -0.41 0.00 0.00 54.97 53.33 3hye s GLU 193 Cb -0.31 -0.45 0.00 0.00 -1.78 0.00 0.00 34.13 31.59 3hye s GLU 193 CO 0.28 -0.25 1.01 0.09 -0.49 0.00 0.00 175.26 175.90 3hye n ASN 194 N -0.52 -4.00 -4.84 -0.19 3.02 -1.26 -5.00 115.26 102.47 3hye n ASN 194 Ca -0.01 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 3hye n ASN 194 Cb 0.66 -4.74 -0.06 0.00 -0.61 0.00 0.00 39.78 35.03 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 -5.72 4.05 -0.33 3.52 -1.94 -1.26 -5.06 119.30 112.55 3hye s MET 195 Ca 0.26 0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 54.88 3hye s MET 195 Cb -0.12 -2.45 0.01 0.00 2.01 0.00 0.00 34.83 34.28 3hye s MET 195 CO 0.67 0.16 0.16 0.15 -0.01 0.00 0.00 175.02 176.15 3hye s LYS 196 N -2.90 3.07 0.00 2.03 1.02 -1.26 -4.87 119.74 116.83 3hye s LYS 196 Ca 0.54 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.63 3hye s LYS 196 Cb -0.11 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3hye s LYS 196 CO 0.17 -0.54 0.00 0.91 -0.92 0.00 0.00 175.35 174.98 3hye n TRP 197 N 4.96 0.00 -0.30 3.18 7.02 -1.26 -4.88 117.44 126.16 3hye n TRP 197 Ca -0.13 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.44 3hye n TRP 197 Cb 0.48 0.00 0.25 0.00 -2.42 0.00 0.00 31.31 29.62 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 0.48 0.00 -0.99 1.82 -2.05 -0.57 116.42 115.12 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 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.05 3hye h ASP 198 CO 0.00 0.16 0.09 2.19 -1.61 0.00 0.00 179.24 180.07 3hye h PHE 199 N 0.57 0.00 -0.13 0.28 -0.00 -2.02 -1.41 116.94 114.23 3hye h PHE 199 Ca 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.46 3hye h PHE 199 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.72 3hye h PHE 199 CO -0.10 0.00 0.08 0.00 -0.00 0.00 0.00 178.31 178.29 3hye h ALA 200 N 1.80 1.89 0.00 12.09 0.00 -1.48 -2.27 119.26 131.29 3hye h ALA 200 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hye h ALA 200 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hye h ALA 200 CO 0.00 0.10 -0.19 1.57 0.00 0.00 0.00 179.25 180.73 3hye h LYS 201 N 0.18 0.00 -0.00 0.00 2.10 -1.44 -2.34 116.57 115.07 3hye h LYS 201 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3hye h LYS 201 Cb -0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hye h LYS 201 CO -0.01 0.19 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.23 3hye n ASP 202 N -4.03 0.28 -4.58 7.07 10.43 -0.85 -4.77 116.55 120.10 3hye n ASP 202 Ca -0.02 -0.10 -0.38 0.00 2.57 0.00 0.00 54.79 56.85 3hye n ASP 202 Cb 0.27 -0.16 -0.11 0.00 1.84 0.00 0.00 41.12 42.96 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 -2.78 5.31 0.05 0.53 1.01 -0.88 -5.07 121.20 119.37 3hye s ILE 203 Ca 0.20 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3hye s ILE 203 Cb 0.19 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3hye s ILE 203 CO 0.54 0.22 -0.08 -1.59 0.00 0.00 0.00 174.94 174.04 3hye s LYS 204 N 1.76 0.59 2.01 2.79 0.00 -1.26 -5.01 119.74 120.61 3hye s LYS 204 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.18 3hye s LYS 204 Cb -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 37.83 37.38 3hye s LYS 204 CO 0.11 0.04 0.00 0.41 0.00 0.00 0.00 175.35 175.91 3hye n GLY 205 N 1.20 -0.82 0.76 0.59 0.00 -1.26 -4.63 105.19 101.03 3hye n GLY 205 Ca -0.21 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.22 0.00 0.00 1.61 0.18 -1.26 -5.01 117.16 111.46 3hye n TYR 206 Ca 0.00 -0.36 0.00 0.00 1.88 0.00 0.00 57.90 59.42 3hye n TYR 206 Cb 0.00 -0.10 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 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 -0.09 -1.80 0.06 -7.48 0.00 -1.26 -5.00 105.19 89.62 3hye n GLY 207 Ca 0.05 0.61 0.11 0.00 0.00 0.00 0.00 46.02 46.79 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 0.32 -1.78 2.61 -2.24 -1.26 -4.96 114.28 106.97 3hye n THR 208 Ca 0.00 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 3hye n THR 208 Cb 0.00 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3hye n THR 208 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hye s GLN 209 N -3.32 4.12 -0.10 -0.78 0.74 -1.26 -4.94 119.66 114.12 3hye s GLN 209 Ca 0.00 2.58 0.18 0.00 0.05 0.00 0.00 55.36 58.17 3hye s GLN 209 Cb 0.12 -3.02 -0.26 0.00 1.10 0.00 0.00 33.01 30.95 3hye s GLN 209 CO 0.81 -0.62 0.25 1.63 -0.55 0.00 0.00 175.29 176.80 3hye n LYS 210 N 2.03 0.81 0.00 1.67 5.02 -1.26 -4.63 118.16 121.80 3hye n LYS 210 Ca 0.08 -0.09 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 3hye n LYS 210 Cb 0.38 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.96 3hye n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32