#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4g s VAL 3 N 0.00 1.12 -0.03 1.39 1.01 0.21 -4.97 120.40 119.12 1h4g s VAL 3 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1h4g s VAL 3 Cb 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 36.38 35.28 1h4g s VAL 3 CO 0.00 0.30 0.93 0.35 0.00 0.00 0.00 175.10 176.67 1h4g n THR 4 N 4.90 0.83 -3.96 3.92 -2.24 -1.26 -0.34 114.28 116.12 1h4g n THR 4 Ca -0.13 -0.93 -0.08 0.00 -2.27 0.00 0.00 64.05 60.64 1h4g n THR 4 Cb 0.49 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1h4g n THR 4 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h4g s ASP 5 N -1.27 -0.14 0.09 3.42 -1.08 -1.26 -4.64 116.67 111.79 1h4g s ASP 5 Ca 0.08 -0.84 -0.36 0.00 -0.52 0.00 0.00 52.55 50.92 1h4g s ASP 5 Cb 0.07 0.63 -0.15 0.00 -1.46 0.00 0.00 42.92 42.01 1h4g s ASP 5 CO 0.01 -1.20 1.49 0.59 0.52 0.00 0.00 175.17 176.58 1h4g n ASN 6 N -0.40 2.38 -3.59 -0.34 4.13 -1.26 -4.79 115.26 111.38 1h4g n ASN 6 Ca -0.02 1.09 -0.14 0.00 1.68 0.00 0.00 54.58 57.19 1h4g n ASN 6 Cb 0.61 -1.30 -0.07 0.00 -1.54 0.00 0.00 39.78 37.49 1h4g n ASN 6 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1h4g s SER 7 N 1.00 -0.66 -0.03 6.41 0.01 -0.78 -4.98 113.70 114.66 1h4g s SER 7 Ca 0.83 1.08 0.02 0.00 1.31 0.00 0.00 55.95 59.20 1h4g s SER 7 Cb -0.83 1.03 0.01 0.00 0.21 0.00 0.00 66.02 66.44 1h4g s SER 7 CO 0.44 -0.35 -0.08 -0.63 0.41 0.00 0.00 173.24 173.03 1h4g s ILE 8 N -0.22 0.76 0.00 1.44 1.01 -1.26 -1.22 121.20 121.71 1h4g s ILE 8 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1h4g s ILE 8 Cb -0.03 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1h4g s ILE 8 CO 0.03 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1h4g n GLY 9 N 3.52 1.14 3.09 6.18 0.00 -0.89 -5.03 105.19 113.21 1h4g n GLY 9 Ca -0.20 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 1h4g n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 10 N -0.62 2.27 -0.12 1.61 3.84 -1.26 -0.73 114.94 119.93 1h4g s ASN 10 Ca 0.00 -0.40 -0.02 0.00 0.21 0.00 0.00 52.86 52.65 1h4g s ASN 10 Cb 0.00 -1.04 0.04 0.00 -0.55 0.00 0.00 41.25 39.70 1h4g s ASN 10 CO 0.00 0.08 0.03 -2.28 -2.79 0.00 0.00 177.10 172.14 1h4g s HIS 11 N 0.57 0.61 -1.46 0.43 5.65 0.29 -4.84 115.29 116.54 1h4g s HIS 11 Ca -0.16 -0.34 -0.10 0.00 0.25 0.00 0.00 55.06 54.72 1h4g s HIS 11 Cb -0.17 -0.81 0.06 0.00 -1.18 0.00 0.00 32.58 30.48 1h4g s HIS 11 CO 0.05 -0.42 0.93 -3.47 -0.65 0.00 0.00 174.74 171.17 1h4g n ASP 12 N 5.16 -3.96 0.00 9.88 2.03 -1.26 -1.37 116.55 127.03 1h4g n ASP 12 Ca -0.07 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1h4g n ASP 12 Cb 0.49 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 1h4g n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h4g n GLY 13 N -1.69 2.15 3.85 0.27 0.00 -1.26 -4.35 105.19 104.17 1h4g n GLY 13 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1h4g n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h4g s TYR 14 N -2.44 3.54 -0.35 1.61 1.51 -0.47 -5.00 117.35 115.76 1h4g s TYR 14 Ca 0.00 0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 56.26 1h4g s TYR 14 Cb 0.00 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1h4g s TYR 14 CO 0.00 0.70 1.18 -0.51 -1.11 0.00 0.00 175.55 175.81 1h4g s ASP 15 N -0.99 6.76 0.18 2.29 1.01 0.25 -0.55 116.67 125.62 1h4g s ASP 15 Ca 0.15 0.98 0.06 0.00 0.71 0.00 0.00 52.55 54.45 1h4g s ASP 15 Cb -0.12 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1h4g s ASP 15 CO 0.04 -1.05 0.14 -0.72 0.21 0.00 0.00 175.17 173.79 1h4g s TYR 16 N 4.14 3.12 -0.15 4.23 -0.85 0.09 -0.89 117.35 127.03 1h4g s TYR 16 Ca 0.50 -0.04 -0.14 0.00 -0.52 0.00 0.00 57.07 56.87 1h4g s TYR 16 Cb -0.13 -1.48 0.04 0.00 0.38 0.00 0.00 41.96 40.77 1h4g s TYR 16 CO 0.22 0.52 0.40 -2.00 -1.52 0.00 0.00 175.55 173.17 1h4g s GLU 17 N -3.25 0.46 -0.13 -3.49 2.12 -0.43 -2.09 118.70 111.89 1h4g s GLU 17 Ca 0.31 0.57 -0.00 0.00 0.36 0.00 0.00 54.97 56.21 1h4g s GLU 17 Cb -0.10 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1h4g s GLU 17 CO 0.23 -0.06 -0.13 0.12 -0.54 0.00 0.00 175.26 174.88 1h4g s PHE 18 N 0.27 2.81 -0.03 5.30 2.19 -0.35 -1.45 117.98 126.71 1h4g s PHE 18 Ca -0.00 -0.69 -0.01 0.00 0.33 0.00 0.00 56.93 56.56 1h4g s PHE 18 Cb -0.03 -1.85 0.03 0.00 -1.31 0.00 0.00 43.02 39.86 1h4g s PHE 18 CO -0.00 -0.25 0.05 -0.46 1.83 0.00 0.00 175.22 176.40 1h4g s TRP 19 N 0.42 -0.01 0.07 10.12 -0.00 -0.55 -1.87 118.94 127.11 1h4g s TRP 19 Ca -0.10 0.20 -0.06 0.00 -0.00 0.00 0.00 56.10 56.13 1h4g s TRP 19 Cb -0.16 -0.20 -0.01 0.00 -0.00 0.00 0.00 33.47 33.10 1h4g s TRP 19 CO 0.05 -0.10 0.12 -1.59 -0.00 0.00 0.00 176.95 175.42 1h4g s LYS 20 N 1.06 0.74 0.67 5.86 -2.85 -1.26 -0.31 119.74 123.65 1h4g s LYS 20 Ca -0.09 -1.00 -0.02 0.00 -1.00 0.00 0.00 55.97 53.87 1h4g s LYS 20 Cb -0.12 0.29 0.14 0.00 -2.06 0.00 0.00 37.83 36.07 1h4g s LYS 20 CO -0.03 -0.20 0.92 -0.40 0.10 0.00 0.00 175.35 175.73 1h4g n ASP 21 N 0.11 1.09 -4.77 0.03 5.68 -0.98 -4.92 116.55 112.79 1h4g n ASP 21 Ca -0.15 -1.95 -0.35 0.00 -0.50 0.00 0.00 54.79 51.83 1h4g n ASP 21 Cb 0.61 -0.61 0.01 0.00 -1.14 0.00 0.00 41.12 40.00 1h4g n ASP 21 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1h4g s SER 22 N -4.68 5.55 0.00 -1.12 0.01 -1.26 -4.81 113.70 107.39 1h4g s SER 22 Ca 0.60 2.24 0.00 0.00 1.31 0.00 0.00 55.95 60.10 1h4g s SER 22 Cb -0.03 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1h4g s SER 22 CO 0.40 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1h4g n GLY 23 N 0.26 2.24 7.00 3.44 0.00 -1.26 -4.39 105.19 112.49 1h4g n GLY 23 Ca 0.12 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1h4g n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4g n GLY 24 N 1.85 -0.15 3.26 -0.02 0.00 -1.19 -4.21 105.19 104.73 1h4g n GLY 24 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1h4g n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h4g s SER 25 N -4.00 -0.10 0.06 1.61 0.15 -0.29 -4.93 113.70 106.19 1h4g s SER 25 Ca 0.00 -0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.18 1h4g s SER 25 Cb 0.00 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1h4g s SER 25 CO 0.00 -0.72 0.32 -0.83 1.20 0.00 0.00 173.24 173.21 1h4g s GLY 26 N -2.48 -0.14 -0.04 9.45 0.00 -1.26 -0.70 107.32 112.16 1h4g s GLY 26 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1h4g s GLY 26 CO -0.08 -0.25 -0.02 -1.59 0.00 0.00 0.00 173.10 171.17 1h4g s THR 27 N -2.81 0.33 -0.12 0.90 2.01 -0.12 -4.39 115.64 111.44 1h4g s THR 27 Ca -0.03 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1h4g s THR 27 Cb 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1h4g s THR 27 CO -0.05 0.18 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.54 1h4g s MET 28 N 1.05 2.78 -0.23 4.92 0.00 0.53 -0.97 119.30 127.38 1h4g s MET 28 Ca -0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 55.69 54.76 1h4g s MET 28 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 34.83 32.44 1h4g s MET 28 CO -0.01 0.03 0.04 0.42 0.00 0.00 0.00 175.02 175.50 1h4g s ILE 29 N 0.73 4.19 -0.31 10.11 -1.09 -0.35 -0.62 121.20 133.86 1h4g s ILE 29 Ca -0.10 -0.22 -0.25 0.00 -2.23 0.00 0.00 60.65 57.84 1h4g s ILE 29 Cb -0.16 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1h4g s ILE 29 CO 0.01 0.37 0.88 -0.76 -1.23 0.00 0.00 174.94 174.22 1h4g s LEU 30 N 1.37 4.05 0.00 2.97 1.43 -1.26 -1.54 118.68 125.69 1h4g s LEU 30 Ca 0.05 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1h4g s LEU 30 Cb -0.15 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.88 1h4g s LEU 30 CO 0.02 -0.70 0.31 0.59 0.23 0.00 0.00 176.35 176.81 1h4g n ASN 31 N 6.40 2.33 -4.74 2.29 5.03 -0.66 -4.94 115.26 120.97 1h4g n ASN 31 Ca 0.06 -2.43 -0.38 0.00 0.87 0.00 0.00 54.58 52.70 1h4g n ASN 31 Cb 0.48 -0.03 0.05 0.00 -1.02 0.00 0.00 39.78 39.26 1h4g n ASN 31 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1h4g s HIS 32 N -2.06 2.18 0.00 3.10 -3.43 -1.26 -4.24 115.29 109.58 1h4g s HIS 32 Ca 0.23 1.40 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 1h4g s HIS 32 Cb -0.02 -3.79 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 1h4g s HIS 32 CO 0.15 -2.99 0.00 0.41 -2.00 0.00 0.00 174.74 170.30 1h4g n GLY 33 N 0.80 3.48 0.38 -1.38 0.00 -1.26 -1.07 105.19 106.14 1h4g n GLY 33 Ca 0.12 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1h4g n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4g n GLY 34 N 0.00 -0.10 3.90 -0.02 0.00 -1.22 -4.57 105.19 103.18 1h4g n GLY 34 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 1h4g n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4g s THR 35 N -1.84 4.93 -0.01 2.61 -4.23 -0.23 -4.66 115.64 112.20 1h4g s THR 35 Ca 0.29 0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.71 1h4g s THR 35 Cb 0.15 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1h4g s THR 35 CO 0.23 -0.61 0.94 0.72 -0.54 0.00 0.00 174.62 175.37 1h4g s PHE 36 N -2.44 -0.29 0.23 3.99 -0.71 -0.92 -1.65 117.98 116.19 1h4g s PHE 36 Ca 0.47 0.15 0.11 0.00 -1.04 0.00 0.00 56.93 56.62 1h4g s PHE 36 Cb -0.10 0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1h4g s PHE 36 CO 0.37 -0.52 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.98 1h4g s SER 37 N -2.50 3.59 0.01 1.98 1.04 -0.59 -0.78 113.70 116.45 1h4g s SER 37 Ca 0.06 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 1h4g s SER 37 Cb -0.01 -0.32 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 1h4g s SER 37 CO -0.07 0.08 0.01 0.00 0.98 0.00 0.00 173.24 174.24 1h4g s ALA 38 N -2.05 -0.01 -0.03 5.32 0.00 0.39 -1.21 121.76 124.17 1h4g s ALA 38 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1h4g s ALA 38 Cb -0.07 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1h4g s ALA 38 CO 0.13 -0.12 0.08 -1.14 0.00 0.00 0.00 175.76 174.71 1h4g s GLN 39 N -0.98 0.13 0.03 0.00 0.74 -0.14 -0.91 119.66 118.53 1h4g s GLN 39 Ca -0.11 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.31 1h4g s GLN 39 Cb -0.07 0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 1h4g s GLN 39 CO -0.00 -0.02 0.09 1.67 -0.55 0.00 0.00 175.29 176.48 1h4g s TRP 40 N -0.10 0.19 -0.16 1.67 -2.14 -0.22 -0.94 118.94 117.24 1h4g s TRP 40 Ca -0.01 -0.47 -0.07 0.00 2.66 0.00 0.00 56.10 58.21 1h4g s TRP 40 Cb -0.01 -0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.29 1h4g s TRP 40 CO 0.00 -0.35 0.37 -0.80 -2.66 0.00 0.00 176.95 173.51 1h4g s ASN 41 N -2.01 -0.26 -1.51 -2.66 0.01 0.13 -1.16 114.94 107.48 1h4g s ASN 41 Ca -0.07 0.82 -0.05 0.00 -0.71 0.00 0.00 52.86 52.85 1h4g s ASN 41 Cb -0.02 0.88 0.02 0.00 0.41 0.00 0.00 41.25 42.54 1h4g s ASN 41 CO -0.04 -0.21 0.56 -3.20 -1.51 0.00 0.00 177.10 172.71 1h4g n ASN 42 N 4.78 -5.63 -4.89 -1.22 5.15 -1.02 -1.14 115.26 111.28 1h4g n ASN 42 Ca -0.16 -0.29 -0.29 0.00 -0.60 0.00 0.00 54.58 53.23 1h4g n ASN 42 Cb 0.52 -4.57 0.06 0.00 -0.53 0.00 0.00 39.78 35.26 1h4g n ASN 42 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h4g s VAL 43 N -3.12 3.09 -0.04 3.44 -7.23 -1.08 -3.16 120.40 112.30 1h4g s VAL 43 Ca 0.31 0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 60.73 1h4g s VAL 43 Cb -0.14 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 1h4g s VAL 43 CO 0.38 -0.43 -0.04 -1.13 -0.31 0.00 0.00 175.10 173.57 1h4g h ASN 44 N -0.69 0.00 -3.59 4.85 -1.24 -1.77 -2.84 115.58 110.30 1h4g h ASN 44 Ca -0.45 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.31 1h4g h ASN 44 Cb 1.28 0.00 -0.31 0.00 0.73 0.00 0.00 38.32 40.02 1h4g h ASN 44 CO 0.64 0.21 -0.67 0.21 -1.29 0.00 0.00 177.43 176.53 1h4g s ASN 45 N -4.08 -0.02 0.01 1.15 3.04 -1.26 -0.45 114.94 113.32 1h4g s ASN 45 Ca -0.03 0.13 0.01 0.00 0.04 0.00 0.00 52.86 53.00 1h4g s ASN 45 Cb 0.00 0.06 -0.01 0.00 -1.54 0.00 0.00 41.25 39.77 1h4g s ASN 45 CO 0.05 -0.09 -0.03 -0.51 -3.04 0.00 0.00 177.10 173.48 1h4g s ILE 46 N 0.69 0.17 -0.01 -5.21 2.07 -0.56 -2.31 121.20 116.04 1h4g s ILE 46 Ca -0.05 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 1h4g s ILE 46 Cb -0.08 -0.22 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 1h4g s ILE 46 CO -0.03 -0.20 -0.07 -0.76 -1.91 0.00 0.00 174.94 171.98 1h4g s LEU 47 N -0.70 1.97 -0.04 8.50 1.02 0.58 -0.72 118.68 129.29 1h4g s LEU 47 Ca -0.06 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.01 1h4g s LEU 47 Cb -0.05 -0.39 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 1h4g s LEU 47 CO -0.00 0.08 -0.21 -0.36 0.02 0.00 0.00 176.35 175.88 1h4g s PHE 48 N -0.10 2.01 0.07 0.29 0.08 0.05 -1.48 117.98 118.89 1h4g s PHE 48 Ca 0.02 -0.56 -0.25 0.00 0.12 0.00 0.00 56.93 56.26 1h4g s PHE 48 Cb -0.04 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1h4g s PHE 48 CO -0.00 -0.17 0.60 -0.98 -0.10 0.00 0.00 175.22 174.57 1h4g s ARG 49 N -0.11 1.15 -0.04 0.44 1.70 -0.53 -0.89 118.95 120.67 1h4g s ARG 49 Ca -0.02 -0.20 -0.01 0.00 -0.47 0.00 0.00 55.73 55.03 1h4g s ARG 49 Cb -0.12 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.83 1h4g s ARG 49 CO 0.02 -0.45 0.06 0.15 -1.08 0.00 0.00 175.30 174.01 1h4g s LYS 50 N -2.69 -0.03 0.00 3.89 1.02 -0.88 -1.31 119.74 119.74 1h4g s LYS 50 Ca -0.04 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1h4g s LYS 50 Cb -0.01 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1h4g s LYS 50 CO -0.04 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1h4g n GLY 51 N 4.51 1.87 3.04 -3.33 0.00 -0.07 -2.55 105.19 108.66 1h4g n GLY 51 Ca -0.21 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1h4g n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4g s LYS 52 N 4.66 1.73 -0.04 1.61 2.47 -0.10 -0.58 119.74 129.48 1h4g s LYS 52 Ca 0.00 -0.44 -0.09 0.00 -1.56 0.00 0.00 55.97 53.89 1h4g s LYS 52 Cb 0.00 -1.43 -0.05 0.00 -1.46 0.00 0.00 37.83 34.90 1h4g s LYS 52 CO 0.00 0.05 0.25 0.15 0.16 0.00 0.00 175.35 175.96 1h4g s LYS 53 N 0.60 3.61 0.34 4.03 1.02 -1.26 -1.50 119.74 126.58 1h4g s LYS 53 Ca -0.14 0.02 0.09 0.00 0.02 0.00 0.00 55.97 55.96 1h4g s LYS 53 Cb -0.15 -3.16 -0.06 0.00 -0.52 0.00 0.00 37.83 33.94 1h4g s LYS 53 CO 0.04 0.71 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.10 1h4g s PHE 54 N -1.14 2.51 -0.61 3.18 0.08 0.07 -4.96 117.98 117.11 1h4g s PHE 54 Ca 0.22 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1h4g s PHE 54 Cb -0.14 -1.46 0.42 0.00 -0.57 0.00 0.00 43.02 41.27 1h4g s PHE 54 CO 0.11 0.51 1.15 0.27 -0.10 0.00 0.00 175.22 177.15 1h4g n ASN 55 N -0.91 3.44 -1.67 1.36 6.94 -1.26 -4.68 115.26 118.49 1h4g n ASN 55 Ca -0.04 -2.48 -0.15 0.00 -0.02 0.00 0.00 54.58 51.88 1h4g n ASN 55 Cb 0.63 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.43 1h4g n ASN 55 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1h4g n GLU 56 N 0.32 -1.20 0.00 -3.83 1.02 -1.11 -4.90 120.64 110.95 1h4g n GLU 56 Ca 0.14 0.78 0.01 0.00 -0.02 0.00 0.00 57.16 58.07 1h4g n GLU 56 Cb 0.74 -5.10 -0.00 0.00 -0.02 0.00 0.00 31.44 27.06 1h4g n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h4g n THR 57 N -3.83 0.00 -4.61 2.62 -2.24 -1.26 -4.87 114.28 100.09 1h4g n THR 57 Ca -0.18 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 60.89 1h4g n THR 57 Cb 0.62 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.71 1h4g n THR 57 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h4g s GLN 58 N -0.80 1.20 0.97 -0.78 -0.21 -1.26 -4.99 119.66 113.78 1h4g s GLN 58 Ca 0.01 -0.69 -0.12 0.00 0.02 0.00 0.00 55.36 54.58 1h4g s GLN 58 Cb 0.01 -1.21 0.17 0.00 1.00 0.00 0.00 33.01 32.99 1h4g s GLN 58 CO 0.04 0.32 1.10 0.95 -2.12 0.00 0.00 175.29 175.58 1h4g s THR 59 N -0.58 2.19 0.32 -0.19 -4.23 -1.26 -0.02 115.64 111.87 1h4g s THR 59 Ca 0.05 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1h4g s THR 59 Cb -0.07 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.43 1h4g s THR 59 CO 0.00 -0.08 1.95 1.12 -0.54 0.00 0.00 174.62 177.08 1h4g h HIS 60 N -1.79 0.87 -0.82 3.99 -0.00 -1.95 -0.82 115.15 114.64 1h4g h HIS 60 Ca -0.53 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.83 1h4g h HIS 60 Cb 1.32 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 28.41 1h4g h HIS 60 CO 0.32 0.59 0.49 1.96 -0.00 0.00 0.00 177.93 181.29 1h4g h GLN 61 N 0.91 1.11 -0.22 5.12 7.50 -1.92 -1.50 115.11 126.11 1h4g h GLN 61 Ca 0.24 -0.10 -0.13 0.00 0.50 0.00 0.00 58.65 59.16 1h4g h GLN 61 Cb -0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.28 1h4g h GLN 61 CO -0.04 0.78 -0.40 1.96 -1.50 0.00 0.00 178.83 179.63 1h4g h GLN 62 N 1.12 0.50 -0.49 1.46 4.20 -1.69 -2.79 115.11 117.42 1h4g h GLN 62 Ca 0.29 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1h4g h GLN 62 Cb -0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1h4g h GLN 62 CO -0.05 0.82 0.30 0.28 -0.67 0.00 0.00 178.83 179.51 1h4g h VAL 63 N 0.41 1.14 0.00 -0.54 2.07 -0.92 -3.48 116.25 114.93 1h4g h VAL 63 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1h4g h VAL 63 Cb 0.88 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1h4g h VAL 63 CO 0.07 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1h4g n GLY 64 N -1.15 -0.61 3.71 2.17 0.00 -0.59 -4.78 105.19 103.95 1h4g n GLY 64 Ca 0.02 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1h4g n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 65 N -2.94 6.66 -0.11 1.61 2.47 -1.26 -4.75 114.94 116.62 1h4g s ASN 65 Ca 0.00 2.50 0.01 0.00 0.42 0.00 0.00 52.86 55.80 1h4g s ASN 65 Cb 0.00 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1h4g s ASN 65 CO 0.00 -0.78 -0.16 -0.04 -3.72 0.00 0.00 177.10 172.40 1h4g s MET 66 N 1.40 3.17 -0.07 0.43 -1.94 -1.26 -0.33 119.30 120.71 1h4g s MET 66 Ca 0.69 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.89 1h4g s MET 66 Cb -0.41 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 33.94 1h4g s MET 66 CO 0.31 0.27 0.16 0.45 -0.01 0.00 0.00 175.02 176.20 1h4g s SER 67 N 0.18 -0.16 -0.12 3.03 0.15 -0.58 -1.80 113.70 114.40 1h4g s SER 67 Ca -0.09 0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.93 1h4g s SER 67 Cb -0.15 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1h4g s SER 67 CO 0.05 -0.10 -0.22 -0.63 1.20 0.00 0.00 173.24 173.55 1h4g s ILE 68 N 0.55 2.02 -0.22 6.45 1.01 -0.40 -0.61 121.20 129.99 1h4g s ILE 68 Ca -0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 1h4g s ILE 68 Cb -0.05 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1h4g s ILE 68 CO -0.03 0.55 0.11 0.20 0.00 0.00 0.00 174.94 175.77 1h4g s ASN 69 N 0.64 5.76 0.20 3.58 0.02 -0.52 -0.55 114.94 124.07 1h4g s ASN 69 Ca -0.12 0.04 -0.06 0.00 -1.02 0.00 0.00 52.86 51.71 1h4g s ASN 69 Cb -0.16 -2.02 -0.02 0.00 0.02 0.00 0.00 41.25 39.06 1h4g s ASN 69 CO 0.02 0.09 0.25 -0.72 0.02 0.00 0.00 177.10 176.76 1h4g s TYR 70 N 0.92 0.75 -0.24 2.20 1.13 -0.13 -0.75 117.35 121.23 1h4g s TYR 70 Ca 0.06 -1.06 -0.18 0.00 -1.41 0.00 0.00 57.07 54.48 1h4g s TYR 70 Cb -0.13 -0.24 0.07 0.00 -1.10 0.00 0.00 41.96 40.55 1h4g s TYR 70 CO 0.03 -0.74 0.61 0.20 -2.51 0.00 0.00 175.55 173.14 1h4g s GLY 71 N -3.07 -0.50 -0.05 5.49 0.00 -0.27 -1.41 107.32 107.52 1h4g s GLY 71 Ca 0.28 1.92 -0.07 0.00 0.00 0.00 0.00 44.72 46.85 1h4g s GLY 71 CO 0.08 1.80 0.18 0.00 0.00 0.00 0.00 173.10 175.16 1h4g s ALA 72 N 0.87 -0.44 -0.55 3.20 0.00 -0.01 -1.68 121.76 123.15 1h4g s ALA 72 Ca -0.04 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 1h4g s ALA 72 Cb -0.05 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1h4g s ALA 72 CO -0.07 -0.14 0.70 1.21 0.00 0.00 0.00 175.76 177.47 1h4g s ASN 73 N -0.44 6.21 -0.31 0.00 3.84 0.22 -4.76 114.94 119.71 1h4g s ASN 73 Ca -0.05 -1.07 -0.09 0.00 0.21 0.00 0.00 52.86 51.85 1h4g s ASN 73 Cb -0.04 -2.31 -0.01 0.00 -0.55 0.00 0.00 41.25 38.34 1h4g s ASN 73 CO 0.01 -1.04 0.15 0.12 -2.79 0.00 0.00 177.10 173.54 1h4g s PHE 74 N 2.86 3.18 -0.53 0.43 5.36 -1.26 -0.79 117.98 127.23 1h4g s PHE 74 Ca 0.15 -0.58 0.07 0.00 -0.96 0.00 0.00 56.93 55.61 1h4g s PHE 74 Cb -0.20 -2.35 0.25 0.00 -0.34 0.00 0.00 43.02 40.38 1h4g s PHE 74 CO 0.10 -0.46 0.66 1.04 -1.46 0.00 0.00 175.22 175.11 1h4g n GLN 75 N 4.98 1.79 -2.49 10.12 6.02 0.42 -5.01 117.38 133.21 1h4g n GLN 75 Ca -0.14 -4.07 -0.34 0.00 -0.01 0.00 0.00 57.00 52.44 1h4g n GLN 75 Cb 0.49 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 1h4g n GLN 75 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h4g s PRO 76 N -1.99 3.72 -0.73 -1.09 0.04 -1.26 -1.73 135.00 131.96 1h4g s PRO 76 Ca 0.38 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1h4g s PRO 76 Cb 0.17 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.79 1h4g s PRO 76 CO -0.06 -0.51 0.53 1.21 0.04 0.00 0.00 177.00 178.22 1h4g s ASN 77 N -1.92 4.98 0.00 6.66 2.47 0.16 -4.95 114.94 122.34 1h4g s ASN 77 Ca 0.68 -3.86 0.00 0.00 0.42 0.00 0.00 52.86 50.10 1h4g s ASN 77 Cb -0.18 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1h4g s ASN 77 CO 0.22 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 174.11 1h4g n GLY 78 N 1.99 0.25 3.67 1.21 0.00 -1.26 -3.18 105.19 107.87 1h4g n GLY 78 Ca 0.20 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1h4g n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h4g s ASN 79 N -4.00 7.03 0.02 1.61 3.84 -1.26 -1.89 114.94 120.29 1h4g s ASN 79 Ca 0.00 1.27 -0.28 0.00 0.21 0.00 0.00 52.86 54.06 1h4g s ASN 79 Cb 0.00 -2.48 0.09 0.00 -0.55 0.00 0.00 41.25 38.31 1h4g s ASN 79 CO 0.00 -0.44 0.82 0.00 -2.79 0.00 0.00 177.10 174.68 1h4g s ALA 80 N 2.25 -1.78 0.04 1.71 0.00 -1.26 -1.65 121.76 121.08 1h4g s ALA 80 Ca 0.41 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1h4g s ALA 80 Cb -0.17 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1h4g s ALA 80 CO 0.13 -0.65 -0.18 0.71 0.00 0.00 0.00 175.76 175.77 1h4g s TYR 81 N -2.95 1.58 -0.21 0.00 2.02 0.25 -1.35 117.35 116.68 1h4g s TYR 81 Ca 0.02 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1h4g s TYR 81 Cb -0.01 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1h4g s TYR 81 CO -0.08 0.08 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.70 1h4g s LEU 82 N -1.20 2.66 0.26 -1.29 2.96 -0.29 -1.44 118.68 120.35 1h4g s LEU 82 Ca 0.05 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.14 1h4g s LEU 82 Cb -0.08 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1h4g s LEU 82 CO 0.02 -0.04 0.66 0.00 -1.32 0.00 0.00 176.35 175.67 1h4g s VAL 84 N -3.92 5.30 0.04 0.00 1.01 0.19 -0.49 120.40 122.52 1h4g s VAL 84 Ca 0.12 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1h4g s VAL 84 Cb -0.04 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1h4g s VAL 84 CO 0.05 0.55 -0.01 -0.47 0.00 0.00 0.00 175.10 175.21 1h4g s TYR 85 N -0.65 0.38 -0.96 5.22 6.14 0.01 -0.17 117.35 127.33 1h4g s TYR 85 Ca 0.18 -0.80 0.00 0.00 0.64 0.00 0.00 57.07 57.09 1h4g s TYR 85 Cb -0.14 -0.28 0.00 0.00 0.42 0.00 0.00 41.96 41.96 1h4g s TYR 85 CO 0.07 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.36 1h4g n GLY 86 N 0.74 -0.68 3.13 8.97 0.00 -0.81 -0.60 105.19 115.95 1h4g n GLY 86 Ca -0.18 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1h4g n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h4g s TRP 87 N -3.00 0.25 0.37 1.61 0.52 -1.05 -0.93 118.94 116.71 1h4g s TRP 87 Ca 0.00 -0.63 0.08 0.00 0.02 0.00 0.00 56.10 55.58 1h4g s TRP 87 Cb 0.00 -0.17 -0.07 0.00 -1.15 0.00 0.00 33.47 32.08 1h4g s TRP 87 CO 0.00 -0.41 -0.01 0.95 0.02 0.00 0.00 176.95 177.50 1h4g s THR 88 N -3.13 2.26 0.06 2.01 -4.23 -0.11 -1.10 115.64 111.40 1h4g s THR 88 Ca -0.01 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.52 1h4g s THR 88 Cb 0.02 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1h4g s THR 88 CO -0.07 -0.12 -0.16 0.68 -0.54 0.00 0.00 174.62 174.41 1h4g s VAL 89 N -2.62 1.28 -1.10 2.29 -7.23 -0.28 -1.63 120.40 111.11 1h4g s VAL 89 Ca 0.35 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 1h4g s VAL 89 Cb 0.04 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1h4g s VAL 89 CO 0.18 -0.07 0.87 -0.67 -0.31 0.00 0.00 175.10 175.09 1h4g n ASP 90 N 1.51 -5.74 -4.88 4.85 2.03 -1.26 -0.55 116.55 112.51 1h4g n ASP 90 Ca -0.19 -0.82 -0.30 0.00 0.52 0.00 0.00 54.79 54.00 1h4g n ASP 90 Cb 0.54 -4.50 -0.03 0.00 -0.72 0.00 0.00 41.12 36.42 1h4g n ASP 90 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h4g s PRO 91 N -5.07 3.72 -0.32 -0.67 0.04 -1.26 -4.36 135.00 127.07 1h4g s PRO 91 Ca 0.43 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1h4g s PRO 91 Cb -0.09 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1h4g s PRO 91 CO 0.79 -0.01 1.35 -1.17 0.04 0.00 0.00 177.00 177.99 1h4g s LEU 92 N -3.90 3.81 -0.02 -3.56 2.96 -1.26 -4.04 118.68 112.66 1h4g s LEU 92 Ca 0.49 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 1h4g s LEU 92 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1h4g s LEU 92 CO 0.33 -1.18 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.45 1h4g s VAL 93 N 4.69 0.36 -0.11 1.68 1.01 -0.64 -3.99 120.40 123.39 1h4g s VAL 93 Ca 0.58 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1h4g s VAL 93 Cb -0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1h4g s VAL 93 CO 0.26 0.15 0.11 -0.70 0.00 0.00 0.00 175.10 174.92 1h4g s GLU 94 N 0.50 3.35 0.06 2.72 2.12 -0.72 -0.93 118.70 125.80 1h4g s GLU 94 Ca -0.06 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1h4g s GLU 94 Cb -0.09 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1h4g s GLU 94 CO -0.01 0.75 -0.04 1.52 -0.54 0.00 0.00 175.26 176.94 1h4g s TYR 95 N -0.97 0.62 -0.00 5.30 -0.85 -0.10 -1.17 117.35 120.16 1h4g s TYR 95 Ca 0.14 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 1h4g s TYR 95 Cb -0.12 -0.41 0.00 0.00 0.38 0.00 0.00 41.96 41.82 1h4g s TYR 95 CO 0.04 -0.26 0.00 0.71 -1.52 0.00 0.00 175.55 174.51 1h4g s TYR 96 N -3.34 0.04 -0.31 -3.49 1.51 0.08 -1.92 117.35 109.92 1h4g s TYR 96 Ca 0.04 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1h4g s TYR 96 Cb 0.04 -0.06 0.09 0.00 -0.11 0.00 0.00 41.96 41.92 1h4g s TYR 96 CO -0.07 -0.02 0.02 0.42 -1.11 0.00 0.00 175.55 174.80 1h4g s ILE 97 N 0.16 1.99 -0.30 2.71 1.01 0.76 -0.99 121.20 126.55 1h4g s ILE 97 Ca -0.01 -1.99 -0.13 0.00 0.00 0.00 0.00 60.65 58.51 1h4g s ILE 97 Cb -0.02 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1h4g s ILE 97 CO -0.00 -0.47 0.28 -0.69 0.00 0.00 0.00 174.94 174.06 1h4g s VAL 98 N 1.08 5.24 -0.14 2.92 1.01 0.63 -0.64 120.40 130.50 1h4g s VAL 98 Ca 0.06 0.18 0.18 0.00 0.00 0.00 0.00 61.98 62.40 1h4g s VAL 98 Cb -0.19 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.27 1h4g s VAL 98 CO -0.10 0.11 0.30 0.47 0.00 0.00 0.00 175.10 175.87 1h4g n ASP 99 N 5.21 0.17 -3.91 3.32 9.92 -0.44 -0.96 116.55 129.87 1h4g n ASP 99 Ca -0.11 0.08 -0.09 0.00 -0.53 0.00 0.00 54.79 54.13 1h4g n ASP 99 Cb 0.51 1.02 -0.07 0.00 -0.64 0.00 0.00 41.12 41.94 1h4g n ASP 99 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1h4g s SER 100 N -5.37 0.03 0.31 -2.24 0.15 -1.03 -1.07 113.70 104.48 1h4g s SER 100 Ca -0.08 -0.77 -0.10 0.00 0.70 0.00 0.00 55.95 55.69 1h4g s SER 100 Cb 0.08 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1h4g s SER 100 CO 0.84 -0.86 0.55 -1.66 1.20 0.00 0.00 173.24 173.32 1h4g s TRP 101 N -3.93 0.51 0.00 3.44 -2.14 -1.26 -1.13 118.94 114.43 1h4g s TRP 101 Ca 0.13 -0.90 0.00 0.00 2.66 0.00 0.00 56.10 57.99 1h4g s TRP 101 Cb 0.03 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.66 1h4g s TRP 101 CO -0.03 -1.17 0.00 0.41 -2.66 0.00 0.00 176.95 173.50 1h4g n GLY 102 N -0.48 0.72 0.07 3.67 0.00 -0.46 -4.90 105.19 103.82 1h4g n GLY 102 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1h4g n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h4g n ASN 103 N 0.00 0.66 -3.94 1.61 6.94 -0.79 -4.77 115.26 114.96 1h4g n ASN 103 Ca 0.00 0.36 -0.28 0.00 -0.02 0.00 0.00 54.58 54.64 1h4g n ASN 103 Cb 0.00 -0.38 -0.17 0.00 -2.36 0.00 0.00 39.78 36.88 1h4g n ASN 103 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1h4g s TRP 104 N -3.10 1.68 -0.15 -2.53 -0.00 -1.26 -5.05 118.94 108.52 1h4g s TRP 104 Ca 0.10 -0.87 -0.29 0.00 -0.00 0.00 0.00 56.10 55.04 1h4g s TRP 104 Cb 0.14 -1.33 -0.00 0.00 -0.00 0.00 0.00 33.47 32.28 1h4g s TRP 104 CO 0.64 -0.55 1.02 0.50 -0.00 0.00 0.00 176.95 178.56 1h4g s ARG 105 N 1.59 4.36 0.74 5.86 3.52 -1.26 -4.85 118.95 128.91 1h4g s ARG 105 Ca 0.04 1.38 -0.10 0.00 -0.13 0.00 0.00 55.73 56.93 1h4g s ARG 105 Cb -0.13 -3.58 0.06 0.00 -1.56 0.00 0.00 34.95 29.74 1h4g s ARG 105 CO -0.08 -0.44 1.09 -1.25 -0.81 0.00 0.00 175.30 173.80 1h4g s PRO 106 N 2.49 2.24 -0.08 5.12 0.04 -1.26 -4.32 135.00 139.23 1h4g s PRO 106 Ca 0.47 0.02 0.12 0.00 0.04 0.00 0.00 61.00 61.65 1h4g s PRO 106 Cb -0.17 -2.06 0.30 0.00 0.04 0.00 0.00 34.50 32.61 1h4g s PRO 106 CO 0.13 -1.33 1.23 -0.35 0.04 0.00 0.00 177.00 176.72 1h4g n PRO 107 N -3.08 2.60 -0.70 0.56 -0.04 -1.26 -4.92 135.00 128.16 1h4g n PRO 107 Ca 0.08 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1h4g n PRO 107 Cb 0.60 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1h4g n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h4g n GLY 108 N -0.39 0.59 3.72 0.55 0.00 -1.26 -5.06 105.19 103.34 1h4g n GLY 108 Ca 0.13 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1h4g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4g s ALA 109 N -2.00 3.60 0.07 4.61 0.00 -1.26 -5.11 121.76 121.67 1h4g s ALA 109 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1h4g s ALA 109 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1h4g s ALA 109 CO 0.00 -0.15 0.94 0.99 0.00 0.00 0.00 175.76 177.54 1h4g s THR 110 N -2.70 4.65 0.53 0.00 2.01 -1.26 -5.02 115.64 113.85 1h4g s THR 110 Ca 0.33 2.00 -0.22 0.00 0.31 0.00 0.00 61.69 64.11 1h4g s THR 110 Cb 0.05 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1h4g s THR 110 CO 0.18 0.28 1.30 -2.16 -0.69 0.00 0.00 174.62 173.52 1h4g s PRO 111 N 0.30 3.26 0.00 4.92 0.04 -1.26 -4.75 135.00 137.51 1h4g s PRO 111 Ca 0.47 2.09 0.20 0.00 0.04 0.00 0.00 61.00 63.81 1h4g s PRO 111 Cb -0.22 -2.26 -0.22 0.00 0.04 0.00 0.00 34.50 31.84 1h4g s PRO 111 CO 0.28 -1.05 0.88 1.63 0.04 0.00 0.00 177.00 178.78 1h4g n LYS 112 N -0.97 0.22 -3.56 4.56 5.02 0.91 -5.00 118.16 119.35 1h4g n LYS 112 Ca 0.10 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1h4g n LYS 112 Cb 0.46 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1h4g n LYS 112 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h4g n GLY 113 N 1.48 -1.49 3.01 0.72 0.00 -1.23 -4.99 105.19 102.70 1h4g n GLY 113 Ca 0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1h4g n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h4g s THR 114 N -2.80 0.25 -0.04 2.61 -4.23 -1.26 -0.72 115.64 109.45 1h4g s THR 114 Ca 0.00 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1h4g s THR 114 Cb 0.00 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1h4g s THR 114 CO 0.00 -0.51 -0.14 -0.51 -0.54 0.00 0.00 174.62 172.92 1h4g s ILE 115 N -1.67 1.16 -0.19 2.99 2.07 -0.18 -4.95 121.20 120.42 1h4g s ILE 115 Ca -0.12 -0.56 -0.09 0.00 -1.41 0.00 0.00 60.65 58.47 1h4g s ILE 115 Cb -0.08 -1.01 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 1h4g s ILE 115 CO -0.01 0.35 0.10 0.42 -1.91 0.00 0.00 174.94 173.88 1h4g s THR 116 N 0.17 5.07 -0.16 4.00 -4.23 -1.26 -0.84 115.64 118.40 1h4g s THR 116 Ca -0.05 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1h4g s THR 116 Cb -0.11 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.55 1h4g s THR 116 CO 0.02 0.44 0.97 0.54 -0.54 0.00 0.00 174.62 176.05 1h4g s VAL 117 N 0.43 0.00 -1.48 2.29 0.11 -0.80 -4.99 120.40 115.97 1h4g s VAL 117 Ca 0.05 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 1h4g s VAL 117 Cb -0.12 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.80 1h4g s VAL 117 CO -0.00 0.00 0.81 0.47 -3.33 0.00 0.00 175.10 173.05 1h4g n ASP 118 N 0.81 -4.76 0.00 3.54 8.00 -1.26 -1.17 116.55 121.70 1h4g n ASP 118 Ca -0.11 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1h4g n ASP 118 Cb 0.58 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 1h4g n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h4g n GLY 119 N -1.54 0.70 3.69 0.44 0.00 -1.26 -4.94 105.19 102.28 1h4g n GLY 119 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1h4g n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4g s GLY 120 N -2.00 2.71 -0.12 -0.02 0.00 -0.32 -5.13 107.32 102.44 1h4g s GLY 120 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1h4g s GLY 120 CO 0.00 -2.13 -0.22 -1.59 0.00 0.00 0.00 173.10 169.16 1h4g s THR 121 N -2.77 1.98 -0.06 0.90 2.01 -1.26 -1.90 115.64 114.53 1h4g s THR 121 Ca 0.24 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1h4g s THR 121 Cb 0.06 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1h4g s THR 121 CO 0.12 0.54 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.05 1h4g s TYR 122 N 0.64 2.50 0.28 4.92 1.51 -0.02 -0.91 117.35 126.26 1h4g s TYR 122 Ca -0.12 -0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 55.06 1h4g s TYR 122 Cb -0.16 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 1h4g s TYR 122 CO 0.03 -0.16 0.85 -0.51 -1.11 0.00 0.00 175.55 174.64 1h4g s ASP 123 N -0.20 7.24 -0.11 2.29 1.01 -0.31 -1.02 116.67 125.57 1h4g s ASP 123 Ca -0.02 1.67 -0.02 0.00 0.71 0.00 0.00 52.55 54.89 1h4g s ASP 123 Cb -0.13 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1h4g s ASP 123 CO 0.03 -0.01 -0.04 -0.63 0.21 0.00 0.00 175.17 174.73 1h4g s ILE 124 N -1.55 3.90 0.09 0.77 1.01 0.10 -0.48 121.20 125.04 1h4g s ILE 124 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1h4g s ILE 124 Cb -0.18 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1h4g s ILE 124 CO 0.23 0.55 -0.03 -0.31 0.00 0.00 0.00 174.94 175.38 1h4g s TYR 125 N -0.25 0.75 -0.05 3.97 1.51 -0.30 -0.06 117.35 122.91 1h4g s TYR 125 Ca 0.04 -1.03 -0.00 0.00 -1.01 0.00 0.00 57.07 55.07 1h4g s TYR 125 Cb -0.13 -0.47 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1h4g s TYR 125 CO 0.02 -0.30 -0.00 -2.00 -1.11 0.00 0.00 175.55 172.16 1h4g s GLU 126 N -3.91 0.49 0.37 -0.62 2.12 -1.26 -1.09 118.70 114.81 1h4g s GLU 126 Ca 0.12 0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.57 1h4g s GLU 126 Cb 0.07 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.65 1h4g s GLU 126 CO -0.06 -0.21 0.07 0.95 -0.54 0.00 0.00 175.26 175.47 1h4g s THR 127 N 1.50 1.06 -0.05 -1.70 -4.23 -0.24 -4.97 115.64 107.01 1h4g s THR 127 Ca -0.03 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1h4g s THR 127 Cb -0.13 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1h4g s THR 127 CO -0.03 0.00 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.66 1h4g s LEU 128 N -3.58 1.91 -0.16 4.79 2.96 -1.26 -0.82 118.68 122.52 1h4g s LEU 128 Ca 0.30 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1h4g s LEU 128 Cb 0.06 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1h4g s LEU 128 CO 0.14 0.15 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.16 1h4g s ARG 129 N 0.07 3.68 -0.22 1.98 1.81 -0.17 -4.96 118.95 121.14 1h4g s ARG 129 Ca -0.05 -0.51 -0.02 0.00 -1.72 0.00 0.00 55.73 53.43 1h4g s ARG 129 Cb -0.12 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 1h4g s ARG 129 CO 0.02 0.23 -0.08 0.08 -0.68 0.00 0.00 175.30 174.88 1h4g s VAL 130 N 0.41 3.02 -1.29 3.52 1.01 -1.26 -1.15 120.40 124.65 1h4g s VAL 130 Ca -0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1h4g s VAL 130 Cb -0.14 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1h4g s VAL 130 CO 0.03 0.39 0.62 0.59 0.00 0.00 0.00 175.10 176.73 1h4g n ASN 131 N 4.74 -2.08 -4.66 3.32 3.02 -0.82 -4.93 115.26 113.84 1h4g n ASN 131 Ca -0.18 -0.94 -0.25 0.00 -0.03 0.00 0.00 54.58 53.17 1h4g n ASN 131 Cb 0.50 -3.51 -0.09 0.00 -0.61 0.00 0.00 39.78 36.07 1h4g n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1h4g s GLN 132 N -6.16 2.10 0.66 3.52 -1.52 -0.24 -4.69 119.66 113.32 1h4g s GLN 132 Ca 0.14 -1.81 -0.18 0.00 -1.95 0.00 0.00 55.36 51.56 1h4g s GLN 132 Cb -0.05 -1.91 -0.01 0.00 -0.22 0.00 0.00 33.01 30.83 1h4g s GLN 132 CO 0.85 0.06 1.29 -2.14 -0.25 0.00 0.00 175.29 175.11 1h4g s PRO 133 N -3.76 2.49 0.31 2.91 0.02 -1.26 -1.68 135.00 134.04 1h4g s PRO 133 Ca 0.36 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 63.30 1h4g s PRO 133 Cb 0.02 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.72 1h4g s PRO 133 CO 0.20 -1.64 0.64 -1.54 -0.33 0.00 0.00 177.00 174.32 1h4g s SER 134 N -1.42 0.07 0.31 2.53 1.04 -1.14 -4.83 113.70 110.26 1h4g s SER 134 Ca 0.82 -1.01 0.24 0.00 0.48 0.00 0.00 55.95 56.49 1h4g s SER 134 Cb -0.38 0.72 1.14 0.00 0.10 0.00 0.00 66.02 67.60 1h4g s SER 134 CO 0.40 -1.39 1.72 0.16 0.98 0.00 0.00 173.24 175.12 1h4g h ILE 135 N 2.09 0.00 -0.41 -1.02 3.07 -2.01 -3.07 117.51 116.16 1h4g h ILE 135 Ca -0.26 -0.13 -0.30 0.00 1.55 0.00 0.00 64.86 65.71 1h4g h ILE 135 Cb 1.25 0.77 -0.30 0.00 -0.27 0.00 0.00 36.82 38.26 1h4g h ILE 135 CO 0.34 0.00 -0.81 0.29 -1.05 0.00 0.00 178.15 176.92 1h4g n LYS 136 N -2.31 2.33 0.00 0.16 4.76 -1.26 -5.11 118.16 116.72 1h4g n LYS 136 Ca 0.00 -3.58 0.00 0.00 -2.87 0.00 0.00 58.31 51.86 1h4g n LYS 136 Cb 0.14 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1h4g n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h4g n GLY 137 N -0.67 -2.48 3.67 0.72 0.00 -1.16 -4.85 105.19 100.42 1h4g n GLY 137 Ca 0.26 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1h4g n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4g s ILE 138 N -0.70 3.26 0.16 -0.61 1.01 -1.26 -2.88 121.20 120.18 1h4g s ILE 138 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 1h4g s ILE 138 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1h4g s ILE 138 CO 0.00 -0.03 0.36 0.00 0.00 0.00 0.00 174.94 175.27 1h4g s ALA 139 N 3.93 -0.44 -0.17 9.38 0.00 -0.68 -4.83 121.76 128.95 1h4g s ALA 139 Ca 0.79 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1h4g s ALA 139 Cb -0.38 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1h4g s ALA 139 CO 0.34 -0.67 -0.06 0.99 0.00 0.00 0.00 175.76 176.36 1h4g s THR 140 N -3.90 3.57 0.06 0.00 2.01 -1.26 -1.08 115.64 115.04 1h4g s THR 140 Ca 0.11 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1h4g s THR 140 Cb 0.02 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 70.01 1h4g s THR 140 CO -0.04 0.48 0.48 0.72 -0.69 0.00 0.00 174.62 175.56 1h4g s PHE 141 N 0.68 -0.35 0.44 4.92 -0.71 -0.30 -4.96 117.98 117.70 1h4g s PHE 141 Ca -0.03 0.30 -0.14 0.00 -1.04 0.00 0.00 56.93 56.02 1h4g s PHE 141 Cb -0.15 0.31 -0.08 0.00 -1.21 0.00 0.00 43.02 41.89 1h4g s PHE 141 CO 0.02 -0.64 0.87 0.15 -1.34 0.00 0.00 175.22 174.28 1h4g s LYS 142 N -2.73 3.92 -0.13 1.99 -0.14 -1.26 -1.00 119.74 120.39 1h4g s LYS 142 Ca -0.04 0.75 0.01 0.00 -1.36 0.00 0.00 55.97 55.33 1h4g s LYS 142 Cb -0.00 -2.28 -0.01 0.00 -1.68 0.00 0.00 37.83 33.86 1h4g s LYS 142 CO -0.04 -0.10 -0.16 -0.65 -0.76 0.00 0.00 175.35 173.64 1h4g s GLN 143 N -3.76 3.26 -0.08 1.68 -0.21 -0.00 -1.75 119.66 118.80 1h4g s GLN 143 Ca 0.56 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 1h4g s GLN 143 Cb -0.10 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1h4g s GLN 143 CO 0.28 0.15 -0.01 0.71 -2.12 0.00 0.00 175.29 174.30 1h4g s TYR 144 N 0.48 3.11 0.00 0.91 2.02 -0.32 -1.08 117.35 122.48 1h4g s TYR 144 Ca -0.11 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1h4g s TYR 144 Cb -0.16 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1h4g s TYR 144 CO 0.05 0.44 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.84 1h4g s TRP 145 N -0.89 0.47 -0.12 2.71 0.52 -0.25 -0.74 118.94 120.65 1h4g s TRP 145 Ca 0.14 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.13 1h4g s TRP 145 Cb -0.11 -0.30 0.00 0.00 -1.15 0.00 0.00 33.47 31.91 1h4g s TRP 145 CO 0.03 -0.02 -0.23 -1.12 0.02 0.00 0.00 176.95 175.63 1h4g s SER 146 N -0.36 3.13 -0.12 2.95 0.01 -0.16 -1.15 113.70 118.00 1h4g s SER 146 Ca -0.00 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1h4g s SER 146 Cb -0.03 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.79 1h4g s SER 146 CO -0.00 0.12 -0.10 -0.69 0.41 0.00 0.00 173.24 172.97 1h4g s VAL 147 N 0.59 1.23 0.63 3.43 1.01 0.37 -0.27 120.40 127.41 1h4g s VAL 147 Ca -0.12 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1h4g s VAL 147 Cb -0.17 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1h4g s VAL 147 CO 0.03 0.40 1.27 -0.60 0.00 0.00 0.00 175.10 176.20 1h4g s ARG 148 N 1.57 2.65 0.31 2.72 3.52 -0.13 -1.16 118.95 128.43 1h4g s ARG 148 Ca 0.04 2.00 0.17 0.00 -0.13 0.00 0.00 55.73 57.81 1h4g s ARG 148 Cb -0.13 -1.87 0.26 0.00 -1.56 0.00 0.00 34.95 31.65 1h4g s ARG 148 CO -0.08 -1.50 1.53 0.00 -0.81 0.00 0.00 175.30 174.43 1h4g h ARG 149 N 0.62 0.00 -4.77 5.12 3.08 -1.38 -3.45 114.38 113.61 1h4g h ARG 149 Ca -0.51 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.25 1h4g h ARG 149 Cb 1.33 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.19 1h4g h ARG 149 CO 0.54 0.45 -0.73 -1.12 -1.07 0.00 0.00 179.97 178.03 1h4g s SER 150 N -6.42 1.15 0.44 7.04 0.01 -1.26 -5.12 113.70 109.54 1h4g s SER 150 Ca 0.03 -0.71 -0.23 0.00 1.31 0.00 0.00 55.95 56.35 1h4g s SER 150 Cb 0.08 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.26 1h4g s SER 150 CO 0.72 -0.25 1.11 -0.54 0.41 0.00 0.00 173.24 174.69 1h4g s LYS 151 N -2.33 3.88 0.06 12.44 1.02 -1.26 -4.90 119.74 128.66 1h4g s LYS 151 Ca -0.01 1.64 -0.13 0.00 0.02 0.00 0.00 55.97 57.48 1h4g s LYS 151 Cb -0.05 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1h4g s LYS 151 CO -0.00 -0.41 0.30 -0.98 -0.92 0.00 0.00 175.35 173.33 1h4g s ARG 152 N -2.70 0.85 -0.05 1.68 1.70 -0.23 -5.00 118.95 115.19 1h4g s ARG 152 Ca 0.62 -0.61 0.08 0.00 -0.47 0.00 0.00 55.73 55.35 1h4g s ARG 152 Cb -0.25 0.37 0.12 0.00 -0.57 0.00 0.00 34.95 34.61 1h4g s ARG 152 CO 0.30 -0.28 1.00 0.25 -1.08 0.00 0.00 175.30 175.49 1h4g n THR 153 N 0.36 0.89 -3.49 4.99 -2.24 -1.26 -3.71 114.28 109.83 1h4g n THR 153 Ca -0.18 -1.05 -0.14 0.00 -2.27 0.00 0.00 64.05 60.42 1h4g n THR 153 Cb 0.60 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1h4g n THR 153 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h4g s SER 154 N -1.63 -0.55 0.00 3.42 1.04 -1.26 -0.83 113.70 113.88 1h4g s SER 154 Ca 0.13 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1h4g s SER 154 Cb 0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1h4g s SER 154 CO 0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1h4g n GLY 155 N 0.15 0.62 3.32 7.32 0.00 -0.50 -4.99 105.19 111.12 1h4g n GLY 155 Ca -0.18 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1h4g n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4g s THR 156 N -2.99 2.27 -0.26 2.61 2.01 -1.26 -0.96 115.64 117.05 1h4g s THR 156 Ca 0.00 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 1h4g s THR 156 Cb 0.00 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.69 1h4g s THR 156 CO 0.00 0.57 0.01 -0.63 -0.69 0.00 0.00 174.62 173.89 1h4g s ILE 157 N -0.38 3.54 -1.18 1.82 1.01 0.29 -4.82 121.20 121.47 1h4g s ILE 157 Ca 0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1h4g s ILE 157 Cb -0.12 -2.76 0.13 0.00 0.01 0.00 0.00 42.46 39.72 1h4g s ILE 157 CO 0.02 0.21 1.47 -0.44 0.00 0.00 0.00 174.94 176.20 1h4g s SER 158 N 1.45 6.90 0.18 3.58 0.01 -1.26 -1.28 113.70 123.28 1h4g s SER 158 Ca 0.03 -2.58 -0.14 0.00 1.31 0.00 0.00 55.95 54.56 1h4g s SER 158 Cb -0.16 -2.46 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1h4g s SER 158 CO -0.01 -0.97 1.71 0.58 0.41 0.00 0.00 173.24 174.96 1h4g h VAL 159 N 5.25 0.71 0.00 3.43 2.07 -1.73 -1.42 116.25 124.56 1h4g h VAL 159 Ca 0.32 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1h4g h VAL 159 Cb 0.91 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1h4g h VAL 159 CO 1.30 0.03 -0.12 0.28 0.02 0.00 0.00 177.57 179.08 1h4g h SER 160 N 0.17 0.00 -0.55 0.57 0.02 -1.85 -1.61 113.55 110.31 1h4g h SER 160 Ca 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1h4g h SER 160 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1h4g h SER 160 CO -0.32 0.12 -0.00 0.78 -1.14 0.00 0.00 176.83 176.26 1h4g h ASN 161 N 0.00 0.95 -0.51 3.07 4.21 -1.57 -1.13 115.58 120.60 1h4g h ASN 161 Ca -0.00 -0.31 0.02 0.00 1.21 0.00 0.00 56.30 57.22 1h4g h ASN 161 Cb 0.26 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1h4g h ASN 161 CO 0.02 1.03 0.30 0.45 -1.29 0.00 0.00 177.43 177.94 1h4g h HIS 162 N 0.85 0.57 -0.76 1.19 3.86 -1.25 -1.29 115.15 118.33 1h4g h HIS 162 Ca 0.15 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1h4g h HIS 162 Cb 0.54 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1h4g h HIS 162 CO 0.04 0.33 0.48 0.74 0.86 0.00 0.00 177.93 180.38 1h4g h PHE 163 N 0.61 0.90 -0.68 2.45 0.04 -1.06 0.04 116.94 119.23 1h4g h PHE 163 Ca 0.20 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 1h4g h PHE 163 Cb 0.02 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1h4g h PHE 163 CO -0.06 0.51 0.23 0.00 -0.60 0.00 0.00 178.31 178.38 1h4g h ARG 164 N 0.93 1.03 -0.35 1.51 3.08 -0.95 -0.76 114.38 118.88 1h4g h ARG 164 Ca 0.31 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1h4g h ARG 164 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1h4g h ARG 164 CO -0.12 0.87 0.10 0.00 -1.07 0.00 0.00 179.97 179.75 1h4g h ALA 165 N 1.25 0.47 -0.33 0.04 0.00 -0.41 -0.48 119.26 119.79 1h4g h ALA 165 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h4g h ALA 165 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h4g h ALA 165 CO -0.01 0.12 0.21 -1.49 0.00 0.00 0.00 179.25 178.08 1h4g h TRP 166 N 0.42 0.43 -0.47 0.00 6.55 -0.78 -2.08 115.95 120.02 1h4g h TRP 166 Ca 0.11 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.92 1h4g h TRP 166 Cb 0.28 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.41 1h4g h TRP 166 CO 0.01 0.29 0.13 0.93 -1.05 0.00 0.00 178.44 178.75 1h4g h GLU 167 N 0.44 0.70 -0.62 0.49 5.08 -1.00 -0.51 114.58 119.17 1h4g h GLU 167 Ca 0.12 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1h4g h GLU 167 Cb -0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1h4g h GLU 167 CO -0.02 0.63 0.36 -0.97 -1.00 0.00 0.00 179.01 178.00 1h4g h ASN 168 N 0.69 0.74 -0.01 1.42 -0.73 -0.63 -0.18 115.58 116.88 1h4g h ASN 168 Ca 0.16 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1h4g h ASN 168 Cb 0.23 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1h4g h ASN 168 CO -0.01 0.59 0.00 0.18 -0.37 0.00 0.00 177.43 177.82 1h4g n LEU 169 N -4.40 0.09 0.00 0.34 4.77 -0.59 -4.88 117.00 112.33 1h4g n LEU 169 Ca 0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1h4g n LEU 169 Cb 0.08 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1h4g n LEU 169 CO 0.37 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1h4g n GLY 170 N 0.73 0.46 3.49 -0.72 0.00 -0.08 -4.99 105.19 104.09 1h4g n GLY 170 Ca 0.10 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1h4g n GLY 170 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1h4g s MET 171 N -1.12 3.56 0.32 1.61 -1.94 -0.30 -4.98 119.30 116.44 1h4g s MET 171 Ca 0.00 -1.47 -0.29 0.00 -1.71 0.00 0.00 55.69 52.22 1h4g s MET 171 Cb 0.00 -5.00 -0.11 0.00 2.01 0.00 0.00 34.83 31.73 1h4g s MET 171 CO 0.00 -1.92 1.48 -0.80 -0.01 0.00 0.00 175.02 173.76 1h4g s ASN 172 N 4.07 6.49 0.05 3.03 0.01 -1.26 -3.94 114.94 123.38 1h4g s ASN 172 Ca 0.36 2.88 0.07 0.00 -0.71 0.00 0.00 52.86 55.46 1h4g s ASN 172 Cb -0.04 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1h4g s ASN 172 CO -0.08 -0.79 -0.18 -0.04 -1.51 0.00 0.00 177.10 174.49 1h4g s MET 173 N -1.21 2.04 0.00 -0.60 -1.94 -1.26 -4.87 119.30 111.46 1h4g s MET 173 Ca 0.57 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1h4g s MET 173 Cb -0.45 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.22 1h4g s MET 173 CO 0.53 0.54 0.00 0.41 -0.01 0.00 0.00 175.02 176.48 1h4g n GLY 174 N 1.51 1.82 3.77 -0.03 0.00 -1.26 -4.68 105.19 106.32 1h4g n GLY 174 Ca -0.16 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1h4g n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4g s LYS 175 N 3.23 4.43 0.30 1.61 -0.14 0.29 -4.52 119.74 124.94 1h4g s LYS 175 Ca 0.00 1.65 -0.29 0.00 -1.36 0.00 0.00 55.97 55.96 1h4g s LYS 175 Cb 0.00 -2.89 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 1h4g s LYS 175 CO 0.00 0.06 1.42 -1.64 -0.76 0.00 0.00 175.35 174.43 1h4g s MET 176 N -1.93 4.25 -0.08 1.68 -1.94 0.97 -1.13 119.30 121.12 1h4g s MET 176 Ca 0.51 2.35 0.02 0.00 -1.71 0.00 0.00 55.69 56.85 1h4g s MET 176 Cb -0.27 -3.06 -0.06 0.00 2.01 0.00 0.00 34.83 33.45 1h4g s MET 176 CO 0.34 -0.38 -0.05 0.98 -0.01 0.00 0.00 175.02 175.90 1h4g n TYR 177 N 1.50 0.00 -3.52 -0.03 4.19 -0.25 -2.74 117.16 116.29 1h4g n TYR 177 Ca 0.04 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.10 1h4g n TYR 177 Cb 0.40 -0.32 -0.05 0.00 0.49 0.00 0.00 39.34 39.86 1h4g n TYR 177 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1h4g s GLU 178 N -2.17 0.92 -0.04 2.98 2.12 -1.01 -0.75 118.70 120.76 1h4g s GLU 178 Ca -0.09 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1h4g s GLU 178 Cb 0.03 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.88 1h4g s GLU 178 CO 0.21 -0.31 0.08 0.54 -0.54 0.00 0.00 175.26 175.24 1h4g s VAL 179 N -1.63 -0.06 -0.22 3.70 0.11 -0.56 -2.54 120.40 119.20 1h4g s VAL 179 Ca -0.05 0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 1h4g s VAL 179 Cb -0.00 -0.15 0.08 0.00 -1.53 0.00 0.00 36.38 34.78 1h4g s VAL 179 CO 0.03 0.09 0.75 0.00 -3.33 0.00 0.00 175.10 172.64 1h4g s ALA 180 N 1.14 -1.80 0.07 1.54 0.00 0.23 -0.92 121.76 122.02 1h4g s ALA 180 Ca -0.09 1.84 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 1h4g s ALA 180 Cb -0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1h4g s ALA 180 CO -0.04 -0.33 1.40 -1.17 0.00 0.00 0.00 175.76 175.62 1h4g s LEU 181 N -0.03 4.35 0.01 0.00 2.96 -1.06 -0.81 118.68 124.11 1h4g s LEU 181 Ca -0.02 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.15 1h4g s LEU 181 Cb -0.04 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1h4g s LEU 181 CO 0.02 -0.69 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.42 1h4g s THR 182 N 1.68 0.44 -0.14 3.68 2.01 0.35 -2.08 115.64 121.58 1h4g s THR 182 Ca 0.65 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1h4g s THR 182 Cb -0.35 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 1h4g s THR 182 CO 0.29 -0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.27 1h4g s VAL 183 N -0.62 2.57 -0.04 3.82 1.01 -0.07 -1.63 120.40 125.44 1h4g s VAL 183 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1h4g s VAL 183 Cb -0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1h4g s VAL 183 CO 0.00 0.53 -0.24 -0.70 0.00 0.00 0.00 175.10 174.69 1h4g s GLU 184 N 0.70 2.40 0.10 2.72 2.12 -0.52 -0.77 118.70 125.44 1h4g s GLU 184 Ca -0.08 -0.88 0.10 0.00 0.36 0.00 0.00 54.97 54.47 1h4g s GLU 184 Cb -0.16 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1h4g s GLU 184 CO 0.01 0.48 -0.26 0.20 -0.54 0.00 0.00 175.26 175.15 1h4g s GLY 185 N -0.39 1.48 -0.04 -1.50 0.00 0.10 -0.58 107.32 106.39 1h4g s GLY 185 Ca 0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 1h4g s GLY 185 CO 0.01 -1.32 0.05 -0.47 0.00 0.00 0.00 173.10 171.38 1h4g s TYR 186 N -0.97 0.08 -1.29 1.90 5.04 -0.66 -1.50 117.35 119.95 1h4g s TYR 186 Ca 0.12 0.23 -0.14 0.00 -2.44 0.00 0.00 57.07 54.84 1h4g s TYR 186 Cb -0.10 -0.46 0.01 0.00 0.35 0.00 0.00 41.96 41.76 1h4g s TYR 186 CO 0.04 -0.18 0.55 1.04 -1.34 0.00 0.00 175.55 175.67 1h4g n GLN 187 N 5.14 -1.78 -3.69 4.97 6.02 0.40 -4.13 117.38 124.31 1h4g n GLN 187 Ca -0.07 0.33 -0.06 0.00 -0.01 0.00 0.00 57.00 57.19 1h4g n GLN 187 Cb 0.50 -3.92 0.03 0.00 1.02 0.00 0.00 30.24 27.87 1h4g n GLN 187 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1h4g n SER 188 N -2.71 -1.99 -4.28 1.08 3.41 -1.23 -4.65 113.62 103.25 1h4g n SER 188 Ca -0.20 -2.27 -0.15 0.00 -0.26 0.00 0.00 58.87 55.99 1h4g n SER 188 Cb 0.63 3.29 -0.10 0.00 -0.26 0.00 0.00 64.21 67.77 1h4g n SER 188 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1h4g s SER 189 N -3.11 1.70 0.00 4.04 0.01 -1.19 -2.43 113.70 112.72 1h4g s SER 189 Ca 0.18 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1h4g s SER 189 Cb -0.04 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1h4g s SER 189 CO 0.09 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1h4g n GLY 190 N -0.28 -1.36 3.27 3.44 0.00 -0.31 -0.67 105.19 109.28 1h4g n GLY 190 Ca -0.08 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1h4g n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4g s SER 191 N -3.92 0.04 -0.17 1.61 1.04 -0.71 -1.06 113.70 110.54 1h4g s SER 191 Ca 0.00 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.64 1h4g s SER 191 Cb 0.00 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1h4g s SER 191 CO 0.00 -0.80 0.44 0.00 0.98 0.00 0.00 173.24 173.86 1h4g s ALA 192 N -3.88 -1.10 -0.33 5.32 0.00 -0.09 -0.44 121.76 121.25 1h4g s ALA 192 Ca 0.08 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1h4g s ALA 192 Cb 0.04 -0.82 0.07 0.00 0.00 0.00 0.00 23.12 22.41 1h4g s ALA 192 CO -0.08 -0.23 0.04 1.21 0.00 0.00 0.00 175.76 176.70 1h4g s ASN 193 N 0.72 4.91 -0.70 0.00 2.47 0.03 -0.46 114.94 121.91 1h4g s ASN 193 Ca -0.04 -1.59 -0.21 0.00 0.42 0.00 0.00 52.86 51.44 1h4g s ASN 193 Cb -0.05 -1.71 0.09 0.00 -1.45 0.00 0.00 41.25 38.13 1h4g s ASN 193 CO -0.05 -0.34 0.94 -0.69 -3.72 0.00 0.00 177.10 173.24 1h4g s VAL 194 N 1.16 4.53 -1.67 -5.21 1.01 0.04 -0.61 120.40 119.65 1h4g s VAL 194 Ca -0.00 -0.77 0.25 0.00 0.00 0.00 0.00 61.98 61.46 1h4g s VAL 194 Cb -0.20 -4.66 0.15 0.00 0.00 0.00 0.00 36.38 31.67 1h4g s VAL 194 CO -0.03 -1.39 1.41 0.00 0.00 0.00 0.00 175.10 175.09 1h4g n TYR 195 N 7.13 0.00 -3.71 5.22 0.18 -0.67 -2.17 117.16 123.13 1h4g n TYR 195 Ca 0.01 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1h4g n TYR 195 Cb 0.45 -0.11 -0.11 0.00 -0.38 0.00 0.00 39.34 39.20 1h4g n TYR 195 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1h4g s SER 196 N -2.59 -0.45 -0.29 9.48 0.15 -0.92 -4.93 113.70 114.15 1h4g s SER 196 Ca 0.21 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.66 1h4g s SER 196 Cb 0.19 0.70 0.19 0.00 -1.71 0.00 0.00 66.02 65.39 1h4g s SER 196 CO 0.57 -0.18 0.72 0.21 1.20 0.00 0.00 173.24 175.77 1h4g s ASN 197 N 1.15 -1.28 -0.16 5.45 2.47 -1.24 -1.11 114.94 120.22 1h4g s ASN 197 Ca -0.08 0.20 0.01 0.00 0.42 0.00 0.00 52.86 53.41 1h4g s ASN 197 Cb -0.08 1.83 0.02 0.00 -1.45 0.00 0.00 41.25 41.58 1h4g s ASN 197 CO -0.09 -0.23 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.00 1h4g s THR 198 N 2.87 1.74 -0.18 -5.21 2.01 0.07 -3.43 115.64 113.51 1h4g s THR 198 Ca 0.15 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 1h4g s THR 198 Cb -0.08 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1h4g s THR 198 CO -0.25 0.49 0.36 -0.22 -0.69 0.00 0.00 174.62 174.31 1h4g s LEU 199 N 1.41 4.20 -0.10 4.42 2.96 -1.26 -1.44 118.68 128.87 1h4g s LEU 199 Ca 0.05 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1h4g s LEU 199 Cb -0.13 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1h4g s LEU 199 CO -0.11 0.00 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.65 1h4g s ARG 200 N 0.92 3.04 -0.21 1.98 0.52 0.22 -1.11 118.95 124.31 1h4g s ARG 200 Ca 0.18 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1h4g s ARG 200 Cb -0.14 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.83 1h4g s ARG 200 CO 0.07 0.36 -0.13 0.42 0.02 0.00 0.00 175.30 176.04 1h4g s ILE 201 N -0.05 2.50 -1.45 1.52 1.01 -0.28 -1.53 121.20 122.92 1h4g s ILE 201 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1h4g s ILE 201 Cb -0.14 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1h4g s ILE 201 CO 0.04 0.38 0.72 0.59 0.00 0.00 0.00 174.94 176.67 1h4g n ASN 202 N 4.64 -5.24 0.00 3.58 3.02 0.55 -2.01 115.26 119.81 1h4g n ASN 202 Ca -0.19 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1h4g n ASN 202 Cb 0.49 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1h4g n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h4g n GLY 203 N -1.52 1.52 3.52 7.41 0.00 -1.26 -5.02 105.19 109.83 1h4g n GLY 203 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1h4g n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h4g s ASN 204 N -3.21 5.10 0.52 1.61 -0.87 -0.85 -4.97 114.94 112.27 1h4g s ASN 204 Ca 0.00 -0.09 -0.21 0.00 -1.57 0.00 0.00 52.86 50.99 1h4g s ASN 204 Cb 0.00 -1.87 -0.06 0.00 -0.02 0.00 0.00 41.25 39.30 1h4g s ASN 204 CO 0.00 0.12 1.19 -2.84 -2.57 0.00 0.00 177.10 173.00 1h4g s PRO 205 N 0.70 3.39 0.00 -0.60 0.02 -1.26 -1.13 135.00 136.12 1h4g s PRO 205 Ca 0.01 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1h4g s PRO 205 Cb -0.14 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1h4g s PRO 205 CO 0.02 -0.86 0.45 -0.11 -0.33 0.00 0.00 177.00 176.17