#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3b n PRO -1 N 0.00 1.66 -0.81 -1.09 -0.02 -1.26 -4.98 135.00 128.50 3h3b n PRO -1 Ca 0.00 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 3h3b n PRO -1 Cb 0.00 -2.56 0.20 0.00 -0.02 0.00 0.00 33.50 31.12 3h3b n PRO -1 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3b s ALA 0 N -1.29 0.57 0.33 3.55 0.00 -1.26 -4.91 121.76 118.74 3h3b s ALA 0 Ca 0.72 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 3h3b s ALA 0 Cb -0.42 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 3h3b s ALA 0 CO 0.49 -3.15 1.33 -0.25 0.00 0.00 0.00 175.76 174.18 3h3b n ASP 1 N -4.45 2.85 -4.65 0.00 9.92 -1.26 -4.94 116.55 114.02 3h3b n ASP 1 Ca 0.06 1.20 -0.40 0.00 -0.53 0.00 0.00 54.79 55.12 3h3b n ASP 1 Cb 0.54 -1.49 -0.06 0.00 -0.64 0.00 0.00 41.12 39.47 3h3b n ASP 1 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3h3b s ILE 2 N -0.92 5.04 -0.12 0.53 1.01 -1.26 -4.96 121.20 120.52 3h3b s ILE 2 Ca 0.57 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 3h3b s ILE 2 Cb -0.57 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 3h3b s ILE 2 CO 0.60 0.11 0.24 -0.69 0.00 0.00 0.00 174.94 175.20 3h3b s VAL 3 N 2.00 5.33 -0.23 2.92 1.01 -1.26 -4.78 120.40 125.39 3h3b s VAL 3 Ca 0.26 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 3h3b s VAL 3 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3h3b s VAL 3 CO 0.10 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.89 3h3b s LEU 4 N -0.42 2.94 -0.27 3.92 1.43 -1.26 -1.58 118.68 123.44 3h3b s LEU 4 Ca 0.16 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 3h3b s LEU 4 Cb -0.13 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3h3b s LEU 4 CO 0.05 -0.07 0.14 -0.89 0.23 0.00 0.00 176.35 175.81 3h3b s THR 5 N 1.39 4.83 -0.16 5.49 2.01 0.57 -3.66 115.64 126.12 3h3b s THR 5 Ca 0.03 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 3h3b s THR 5 Cb -0.15 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3h3b s THR 5 CO -0.05 0.27 0.05 -1.10 -0.69 0.00 0.00 174.62 173.10 3h3b s GLN 6 N 1.69 3.72 -0.02 4.92 -0.21 -1.26 -0.45 119.66 128.05 3h3b s GLN 6 Ca 0.07 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.12 3h3b s GLN 6 Cb -0.16 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.74 3h3b s GLN 6 CO 0.07 0.40 -0.06 0.95 -2.12 0.00 0.00 175.29 174.54 3h3b s THR 7 N -0.01 0.54 0.61 -0.19 -4.23 -0.92 -4.22 115.64 107.22 3h3b s THR 7 Ca 0.05 -0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.24 3h3b s THR 7 Cb -0.12 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.23 3h3b s THR 7 CO 0.01 0.17 0.96 -2.16 -0.54 0.00 0.00 174.62 173.06 3h3b s PRO 8 N 0.12 3.07 0.13 3.99 0.04 -1.26 -1.44 135.00 139.65 3h3b s PRO 8 Ca -0.01 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.14 3h3b s PRO 8 Cb -0.06 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3h3b s PRO 8 CO -0.00 -0.72 1.60 0.77 0.04 0.00 0.00 177.00 178.69 3h3b h SER 9 N -0.28 0.66 -3.43 6.66 0.02 -1.78 -3.39 113.55 112.01 3h3b h SER 9 Ca -0.45 -0.27 -0.44 0.00 -0.84 0.00 0.00 61.79 59.78 3h3b h SER 9 Cb 1.24 -0.18 -0.34 0.00 0.14 0.00 0.00 62.40 63.26 3h3b h SER 9 CO 0.62 0.77 -0.78 -0.55 -1.14 0.00 0.00 176.83 175.75 3h3b s SER 10 N -6.12 1.23 -0.29 3.07 0.15 -1.26 -1.95 113.70 108.53 3h3b s SER 10 Ca -0.13 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.37 3h3b s SER 10 Cb 0.10 -0.56 0.08 0.00 -1.71 0.00 0.00 66.02 63.93 3h3b s SER 10 CO 0.78 -0.04 -0.03 -0.22 1.20 0.00 0.00 173.24 174.93 3h3b s LEU 11 N 0.94 3.82 -0.04 3.45 0.20 0.37 -4.93 118.68 122.47 3h3b s LEU 11 Ca -0.10 -1.69 -0.30 0.00 0.69 0.00 0.00 54.13 52.72 3h3b s LEU 11 Cb -0.14 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 3h3b s LEU 11 CO 0.00 -0.29 1.23 -2.16 -0.29 0.00 0.00 176.35 174.85 3h3b s PRO 12 N 1.08 4.34 0.02 0.98 0.04 -1.26 -1.83 135.00 138.38 3h3b s PRO 12 Ca 0.01 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3h3b s PRO 12 Cb -0.19 -3.55 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 3h3b s PRO 12 CO -0.07 -0.46 -0.05 0.14 0.04 0.00 0.00 177.00 176.60 3h3b s VAL 13 N 2.19 0.29 0.22 -0.36 -7.23 0.66 -4.93 120.40 111.24 3h3b s VAL 13 Ca 0.57 -0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 3h3b s VAL 13 Cb -0.26 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 3h3b s VAL 13 CO 0.23 -0.29 0.42 -0.94 -0.31 0.00 0.00 175.10 174.21 3h3b s SER 14 N -1.08 6.38 0.06 4.85 1.04 -1.26 0.05 113.70 123.75 3h3b s SER 14 Ca -0.09 0.41 -0.31 0.00 0.48 0.00 0.00 55.95 56.45 3h3b s SER 14 Cb -0.07 -2.01 -0.08 0.00 0.10 0.00 0.00 66.02 63.95 3h3b s SER 14 CO -0.00 -0.08 1.68 -0.69 0.98 0.00 0.00 173.24 175.13 3h3b s VAL 15 N -1.93 3.05 0.00 5.02 1.01 -1.26 -2.76 120.40 123.53 3h3b s VAL 15 Ca 0.39 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3h3b s VAL 15 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3h3b s VAL 15 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3h3b n GLY 16 N 4.06 0.52 3.79 4.51 0.00 -0.92 -4.98 105.19 112.16 3h3b n GLY 16 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3h3b n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3b s GLU 17 N -0.68 3.17 -0.17 1.61 2.12 -1.11 -4.40 118.70 119.24 3h3b s GLU 17 Ca 0.00 1.34 -0.20 0.00 0.36 0.00 0.00 54.97 56.48 3h3b s GLU 17 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 3h3b s GLU 17 CO 0.00 -0.95 0.57 0.21 -0.54 0.00 0.00 175.26 174.55 3h3b s LYS 18 N -3.90 4.26 -0.00 4.30 2.20 -1.24 -2.10 119.74 123.24 3h3b s LYS 18 Ca 0.66 0.55 0.08 0.00 -0.36 0.00 0.00 55.97 56.90 3h3b s LYS 18 Cb -0.19 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3h3b s LYS 18 CO 0.36 -0.09 -0.24 0.14 -0.36 0.00 0.00 175.35 175.16 3h3b s VAL 19 N 1.42 2.24 -0.16 4.02 -7.23 -1.03 -5.01 120.40 114.64 3h3b s VAL 19 Ca 0.28 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.31 3h3b s VAL 19 Cb -0.16 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.00 3h3b s VAL 19 CO 0.11 0.52 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.46 3h3b s THR 20 N -0.69 1.18 -0.10 5.32 2.01 -1.26 -2.09 115.64 120.01 3h3b s THR 20 Ca 0.11 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.49 3h3b s THR 20 Cb -0.10 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3h3b s THR 20 CO 0.00 0.16 -0.18 0.00 -0.69 0.00 0.00 174.62 173.91 3h3b s MET 21 N 1.61 3.00 0.09 4.92 0.23 -0.84 -4.76 119.30 123.55 3h3b s MET 21 Ca 0.01 -0.78 0.04 0.00 -1.03 0.00 0.00 55.69 53.93 3h3b s MET 21 Cb -0.15 -2.42 -0.04 0.00 -1.53 0.00 0.00 34.83 30.69 3h3b s MET 21 CO -0.08 0.30 0.05 0.95 -2.03 0.00 0.00 175.02 174.22 3h3b s THR 22 N 0.08 4.34 -0.17 3.16 -4.23 -0.52 -0.59 115.64 117.71 3h3b s THR 22 Ca -0.08 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3h3b s THR 22 Cb -0.15 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.62 3h3b s THR 22 CO 0.05 0.10 -0.12 0.00 -0.54 0.00 0.00 174.62 174.11 3h3b s LYS 24 N 1.44 3.82 -0.07 0.00 2.20 0.40 -1.57 119.74 125.96 3h3b s LYS 24 Ca 0.02 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 3h3b s LYS 24 Cb -0.14 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3h3b s LYS 24 CO -0.10 0.06 0.13 0.45 -0.36 0.00 0.00 175.35 175.53 3h3b s SER 25 N 0.96 6.17 0.48 1.43 0.15 0.30 -0.31 113.70 122.89 3h3b s SER 25 Ca 0.04 0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.32 3h3b s SER 25 Cb -0.14 -1.93 0.75 0.00 -1.71 0.00 0.00 66.02 62.99 3h3b s SER 25 CO 0.03 0.35 1.76 0.77 1.20 0.00 0.00 173.24 177.35 3h3b h SER 26 N 4.58 0.00 -4.67 5.45 4.64 -1.62 -3.45 113.55 118.48 3h3b h SER 26 Ca -0.52 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.57 3h3b h SER 26 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 3h3b h SER 26 CO 0.61 0.00 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.76 3h3b s GLN 27 N -3.39 0.75 0.24 4.77 -0.21 -1.26 -4.98 119.66 115.58 3h3b s GLN 27 Ca 0.05 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 3h3b s GLN 27 Cb 0.07 -0.21 -0.10 0.00 1.00 0.00 0.00 33.01 33.76 3h3b s GLN 27 CO 0.62 -0.00 1.51 -0.08 -2.12 0.00 0.00 175.29 175.21 3h3b s THR 28 N -3.06 2.49 -0.54 -0.19 -1.32 -1.26 -4.65 115.64 107.11 3h3b s THR 28 Ca 0.06 0.40 0.16 0.00 -1.21 0.00 0.00 61.69 61.10 3h3b s THR 28 Cb 0.01 -3.25 0.77 0.00 -1.51 0.00 0.00 72.50 68.52 3h3b s THR 28 CO -0.04 0.06 1.69 0.18 -2.21 0.00 0.00 174.62 174.30 3h3b n LEU 29 N 2.63 5.29 -4.67 9.08 4.77 0.08 -4.93 117.00 129.26 3h3b n LEU 29 Ca 0.09 -2.77 -0.38 0.00 -0.03 0.00 0.00 56.01 52.91 3h3b n LEU 29 Cb 0.39 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 3h3b n LEU 29 CO 0.62 0.70 0.12 -0.22 -1.33 0.00 0.00 177.39 177.27 3h3b s LEU 30 N -2.45 4.16 -0.33 2.23 2.96 -1.26 0.19 118.68 124.17 3h3b s LEU 30 Ca 0.53 0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 54.80 3h3b s LEU 30 Cb 0.38 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 3h3b s LEU 30 CO 0.18 -0.09 0.55 -0.47 -1.32 0.00 0.00 176.35 175.20 3h3b s TYR 31 N 1.34 3.19 0.43 5.38 5.04 -0.66 -4.96 117.35 127.12 3h3b s TYR 31 Ca 0.20 0.34 0.11 0.00 -2.44 0.00 0.00 57.07 55.28 3h3b s TYR 31 Cb -0.15 -2.94 0.98 0.00 0.35 0.00 0.00 41.96 40.20 3h3b s TYR 31 CO 0.08 -0.50 2.04 0.66 -1.34 0.00 0.00 175.55 176.49 3h3b h SER 32 N 8.35 0.38 -0.04 4.32 4.64 -1.96 0.31 113.55 129.54 3h3b h SER 32 Ca -0.28 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h3b h SER 32 Cb 1.12 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3h3b h SER 32 CO 0.78 0.26 0.02 0.78 -0.87 0.00 0.00 176.83 177.79 3h3b h ASN 33 N 0.43 0.06 -0.01 4.97 4.21 -1.98 -3.28 115.58 119.98 3h3b h ASN 33 Ca 0.19 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.58 3h3b h ASN 33 Cb 0.20 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3h3b h ASN 33 CO -0.05 0.16 -0.28 -0.46 -1.29 0.00 0.00 177.43 175.52 3h3b n ASN 34 N -5.00 1.88 -3.60 5.81 0.23 -1.14 -5.00 115.26 108.45 3h3b n ASN 34 Ca -0.07 -1.44 -0.27 0.00 -0.53 0.00 0.00 54.58 52.28 3h3b n ASN 34 Cb 0.08 0.36 0.01 0.00 -2.08 0.00 0.00 39.78 38.16 3h3b n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h3b n GLN 35 N 0.15 -4.42 -4.17 -3.83 1.13 0.11 -4.99 117.38 101.36 3h3b n GLN 35 Ca 0.08 0.57 -0.34 0.00 -1.94 0.00 0.00 57.00 55.37 3h3b n GLN 35 Cb 0.38 -5.38 -0.08 0.00 0.11 0.00 0.00 30.24 25.28 3h3b n GLN 35 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3h3b s LYS 36 N -6.28 3.06 -0.20 -1.09 1.02 -1.22 -4.89 119.74 110.13 3h3b s LYS 36 Ca 0.52 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.85 3h3b s LYS 36 Cb -0.27 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3h3b s LYS 36 CO 0.64 0.67 0.68 -0.80 -0.92 0.00 0.00 175.35 175.63 3h3b s ASN 37 N -1.41 6.74 -1.33 2.83 0.01 -1.26 -1.65 114.94 118.87 3h3b s ASN 37 Ca 0.19 0.90 -0.07 0.00 -0.71 0.00 0.00 52.86 53.18 3h3b s ASN 37 Cb -0.12 -2.37 0.12 0.00 0.41 0.00 0.00 41.25 39.29 3h3b s ASN 37 CO 0.09 -0.32 2.28 -1.22 -1.51 0.00 0.00 177.10 176.42 3h3b n TYR 38 N 5.20 2.67 -4.29 2.20 4.02 0.13 -3.56 117.16 123.54 3h3b n TYR 38 Ca 0.00 -2.83 -0.20 0.00 -0.01 0.00 0.00 57.90 54.87 3h3b n TYR 38 Cb 0.49 -1.90 -0.16 0.00 -0.02 0.00 0.00 39.34 37.76 3h3b n TYR 38 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3h3b s LEU 39 N -1.48 1.62 0.13 7.72 1.98 -1.26 -1.92 118.68 125.47 3h3b s LEU 39 Ca 0.51 -0.16 0.06 0.00 -2.89 0.00 0.00 54.13 51.65 3h3b s LEU 39 Cb 0.16 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 46.48 3h3b s LEU 39 CO -0.07 0.01 -0.15 0.00 -1.89 0.00 0.00 176.35 174.26 3h3b s ALA 40 N 0.48 1.60 -0.08 5.97 0.00 0.73 -1.18 121.76 129.28 3h3b s ALA 40 Ca -0.07 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.58 3h3b s ALA 40 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3h3b s ALA 40 CO 0.01 0.12 -0.17 -1.58 0.00 0.00 0.00 175.76 174.14 3h3b s TRP 41 N -2.17 2.67 0.02 0.00 0.52 0.17 -0.15 118.94 120.00 3h3b s TRP 41 Ca 0.11 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.83 3h3b s TRP 41 Cb -0.05 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3h3b s TRP 41 CO 0.04 -0.05 -0.22 0.71 0.02 0.00 0.00 176.95 177.45 3h3b s TYR 42 N -0.23 1.92 -0.15 -1.98 2.02 0.11 -1.43 117.35 117.60 3h3b s TYR 42 Ca 0.00 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 3h3b s TYR 42 Cb -0.13 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 3h3b s TYR 42 CO 0.03 0.04 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.80 3h3b s GLN 43 N -0.90 3.39 -0.29 -0.62 0.74 -0.07 -0.94 119.66 120.97 3h3b s GLN 43 Ca 0.08 -0.67 0.03 0.00 0.05 0.00 0.00 55.36 54.85 3h3b s GLN 43 Cb -0.09 -2.72 0.08 0.00 1.10 0.00 0.00 33.01 31.38 3h3b s GLN 43 CO 0.01 0.12 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.69 3h3b s GLN 44 N 0.62 1.80 0.48 1.67 0.74 -0.61 -0.30 119.66 124.05 3h3b s GLN 44 Ca -0.06 -1.50 -0.20 0.00 0.05 0.00 0.00 55.36 53.65 3h3b s GLN 44 Cb -0.15 -2.93 -0.09 0.00 1.10 0.00 0.00 33.01 30.94 3h3b s GLN 44 CO 0.03 -0.74 1.04 0.15 -0.55 0.00 0.00 175.29 175.22 3h3b s LYS 45 N 1.08 3.81 0.14 1.67 1.02 -1.26 -1.87 119.74 124.34 3h3b s LYS 45 Ca -0.00 1.35 -0.34 0.00 0.02 0.00 0.00 55.97 57.00 3h3b s LYS 45 Cb -0.19 -2.10 -0.14 0.00 -0.52 0.00 0.00 37.83 34.88 3h3b s LYS 45 CO -0.07 -0.42 1.59 -2.30 -0.92 0.00 0.00 175.35 173.23 3h3b n PRO 46 N -0.96 2.11 -1.82 -1.68 -0.02 -1.26 -1.89 135.00 129.48 3h3b n PRO 46 Ca 0.09 0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3h3b n PRO 46 Cb 0.53 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3h3b n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3b n GLY 47 N 3.44 0.38 3.11 -1.23 0.00 -1.26 -5.03 105.19 104.59 3h3b n GLY 47 Ca 0.17 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 3h3b n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h3b s GLN 48 N -3.79 0.64 0.45 1.61 -0.21 -0.79 -5.16 119.66 112.41 3h3b s GLN 48 Ca 0.00 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 53.99 3h3b s GLN 48 Cb 0.00 0.23 -0.10 0.00 1.00 0.00 0.00 33.01 34.13 3h3b s GLN 48 CO 0.00 -0.13 0.96 -1.54 -2.12 0.00 0.00 175.29 172.46 3h3b s SER 49 N -2.91 6.87 1.02 5.90 1.04 -1.26 -4.62 113.70 119.73 3h3b s SER 49 Ca 0.07 1.68 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 3h3b s SER 49 Cb 0.08 -2.54 0.20 0.00 0.10 0.00 0.00 66.02 63.86 3h3b s SER 49 CO -0.10 -0.41 1.08 -2.84 0.98 0.00 0.00 173.24 171.94 3h3b s PRO 50 N -3.33 0.23 -0.01 4.02 0.02 -1.26 -4.68 135.00 129.99 3h3b s PRO 50 Ca 0.62 0.99 -0.02 0.00 0.02 0.00 0.00 61.00 62.60 3h3b s PRO 50 Cb -0.09 -1.68 -0.00 0.00 0.02 0.00 0.00 34.50 32.75 3h3b s PRO 50 CO 0.16 -2.99 0.04 0.15 -0.33 0.00 0.00 177.00 174.03 3h3b s LYS 51 N -4.67 0.20 -0.07 5.54 1.02 0.59 -4.60 119.74 117.75 3h3b s LYS 51 Ca 0.66 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 3h3b s LYS 51 Cb -0.22 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 3h3b s LYS 51 CO 0.60 -0.04 1.37 -1.17 -0.92 0.00 0.00 175.35 175.20 3h3b s LEU 52 N -0.62 4.27 -0.26 3.17 2.96 -1.25 -0.89 118.68 126.06 3h3b s LEU 52 Ca -0.07 1.96 -0.16 0.00 -0.22 0.00 0.00 54.13 55.64 3h3b s LEU 52 Cb -0.04 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.96 3h3b s LEU 52 CO -0.00 -0.75 -0.18 0.18 -1.32 0.00 0.00 176.35 174.28 3h3b n LEU 53 N 6.06 1.93 -3.76 -0.68 4.77 -0.52 -4.72 117.00 120.08 3h3b n LEU 53 Ca 0.14 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3h3b n LEU 53 Cb 0.44 -0.86 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 3h3b n LEU 53 CO 0.58 0.48 -0.15 -0.63 -1.33 0.00 0.00 177.39 176.34 3h3b s ILE 54 N -2.47 -0.02 0.43 -0.08 1.01 -1.17 -0.47 121.20 118.42 3h3b s ILE 54 Ca -0.36 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.42 3h3b s ILE 54 Cb 0.12 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3h3b s ILE 54 CO 0.52 0.04 0.04 -0.94 0.00 0.00 0.00 174.94 174.60 3h3b s SER 55 N 0.75 3.43 -1.32 3.58 1.04 -0.56 0.44 113.70 121.06 3h3b s SER 55 Ca -0.05 -1.54 -0.05 0.00 0.48 0.00 0.00 55.95 54.79 3h3b s SER 55 Cb -0.07 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3h3b s SER 55 CO -0.04 -0.73 0.33 0.79 0.98 0.00 0.00 173.24 174.56 3h3b n TRP 56 N -1.00 -1.65 0.00 5.02 7.02 -1.06 -0.74 117.44 125.02 3h3b n TRP 56 Ca -0.10 0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 3h3b n TRP 56 Cb 0.66 -3.35 0.00 0.00 -2.42 0.00 0.00 31.31 26.20 3h3b n TRP 56 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h3b n ALA 57 N -3.00 0.00 -0.89 6.99 0.00 -0.32 -3.94 120.51 119.34 3h3b n ALA 57 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3h3b n ALA 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3h3b n ALA 57 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3h3b n PHE 58 N 0.00 0.00 -2.95 0.00 1.16 -1.12 -3.42 117.46 111.13 3h3b n PHE 58 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 3h3b n PHE 58 Cb 0.00 0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 37.83 3h3b n PHE 58 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3h3b s THR 59 N 0.00 4.58 0.32 1.97 2.01 0.08 -4.64 115.64 119.96 3h3b s THR 59 Ca 0.00 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 3h3b s THR 59 Cb 0.00 -4.41 -0.10 0.00 0.01 0.00 0.00 72.50 67.99 3h3b s THR 59 CO 0.00 -0.91 1.35 -0.13 -0.69 0.00 0.00 174.62 174.23 3h3b s ARG 60 N 3.45 4.32 0.36 4.92 0.52 -1.26 -1.49 118.95 129.76 3h3b s ARG 60 Ca 0.27 2.26 -0.27 0.00 -0.52 0.00 0.00 55.73 57.47 3h3b s ARG 60 Cb -0.14 -3.07 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 3h3b s ARG 60 CO 0.19 -0.26 1.28 0.21 0.02 0.00 0.00 175.30 176.74 3h3b s LYS 61 N -1.57 4.20 -0.17 3.54 2.20 0.37 -4.91 119.74 123.40 3h3b s LYS 61 Ca 0.51 2.14 -0.38 0.00 -0.36 0.00 0.00 55.97 57.88 3h3b s LYS 61 Cb -0.41 -2.92 -0.15 0.00 -1.51 0.00 0.00 37.83 32.84 3h3b s LYS 61 CO 0.52 -0.29 1.71 0.45 -0.36 0.00 0.00 175.35 177.38 3h3b n SER 62 N 0.50 2.56 0.00 1.43 2.88 -1.26 -1.56 113.62 118.18 3h3b n SER 62 Ca 0.02 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3h3b n SER 62 Cb 0.43 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3h3b n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h3b n GLY 63 N 3.98 0.72 3.69 0.46 0.00 -1.26 -5.06 105.19 107.73 3h3b n GLY 63 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3h3b n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3b s VAL 64 N -2.45 4.92 0.09 1.61 1.01 -0.60 -4.99 120.40 119.99 3h3b s VAL 64 Ca 0.00 1.67 -0.36 0.00 0.00 0.00 0.00 61.98 63.29 3h3b s VAL 64 Cb 0.00 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 3h3b s VAL 64 CO 0.00 0.11 1.18 -2.65 0.00 0.00 0.00 175.10 173.75 3h3b n PRO 65 N 4.57 0.78 0.00 2.72 -0.02 -1.26 -4.81 135.00 136.98 3h3b n PRO 65 Ca 0.03 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 3h3b n PRO 65 Cb 0.50 -1.82 0.42 0.00 -0.02 0.00 0.00 33.50 32.58 3h3b n PRO 65 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h3b n ASP 66 N 2.10 0.00 0.08 2.55 5.75 -1.26 -2.15 116.55 123.62 3h3b n ASP 66 Ca 0.18 -0.43 0.13 0.00 -0.01 0.00 0.00 54.79 54.65 3h3b n ASP 66 Cb 0.18 -0.01 0.46 0.00 -1.03 0.00 0.00 41.12 40.72 3h3b n ASP 66 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3h3b n ARG 67 N -1.01 0.18 -2.97 0.11 1.85 -1.26 -4.68 116.66 108.88 3h3b n ARG 67 Ca 0.11 0.22 -0.42 0.00 -1.00 0.00 0.00 57.85 56.76 3h3b n ARG 67 Cb 0.05 -1.74 -0.05 0.00 -1.05 0.00 0.00 32.46 29.67 3h3b n ARG 67 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3h3b s PHE 68 N -3.12 3.23 -0.18 2.89 0.08 -0.91 -1.62 117.98 118.35 3h3b s PHE 68 Ca 0.10 0.86 0.01 0.00 0.12 0.00 0.00 56.93 58.01 3h3b s PHE 68 Cb 0.13 -3.12 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 3h3b s PHE 68 CO 0.51 -0.49 -0.16 0.99 -0.10 0.00 0.00 175.22 175.97 3h3b s THR 69 N 2.85 1.88 -0.09 0.64 2.01 0.55 -4.97 115.64 118.51 3h3b s THR 69 Ca 0.31 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.26 3h3b s THR 69 Cb -0.15 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3h3b s THR 69 CO 0.11 0.43 0.34 -0.83 -0.69 0.00 0.00 174.62 173.98 3h3b s GLY 70 N 1.35 2.33 0.25 4.40 0.00 -1.26 -0.52 107.32 113.87 3h3b s GLY 70 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 3h3b s GLY 70 CO -0.11 0.27 0.36 -1.35 0.00 0.00 0.00 173.10 172.27 3h3b s SER 71 N -0.27 0.23 0.00 1.64 1.04 -0.48 -4.42 113.70 111.44 3h3b s SER 71 Ca 0.20 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3h3b s SER 71 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3h3b s SER 71 CO 0.08 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3h3b n GLY 72 N -0.39 1.27 3.62 7.32 0.00 -1.26 -1.06 105.19 114.69 3h3b n GLY 72 Ca 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 3h3b n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h3b s SER 73 N 0.00 -0.53 0.00 1.61 0.15 -0.85 -4.95 113.70 109.13 3h3b s SER 73 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3h3b s SER 73 Cb 0.00 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 3h3b s SER 73 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3h3b n GLY 74 N 2.10 2.20 0.01 9.45 0.00 -1.26 -3.48 105.19 114.20 3h3b n GLY 74 Ca -0.13 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3h3b n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h3b n THR 75 N 0.00 0.07 -3.94 2.61 -2.24 -1.26 -0.74 114.28 108.78 3h3b n THR 75 Ca 0.00 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 3h3b n THR 75 Cb 0.00 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 3h3b n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3h3b s ASP 76 N -2.73 4.35 0.02 3.42 1.01 -1.23 -0.54 116.67 120.98 3h3b s ASP 76 Ca -0.02 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.90 3h3b s ASP 76 Cb 0.02 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.19 3h3b s ASP 76 CO 0.16 -0.01 -0.08 -0.36 0.21 0.00 0.00 175.17 175.09 3h3b s PHE 77 N 1.42 0.68 0.04 4.23 0.08 -0.61 -2.00 117.98 121.83 3h3b s PHE 77 Ca 0.05 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.84 3h3b s PHE 77 Cb -0.14 -0.42 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 3h3b s PHE 77 CO -0.02 -0.03 -0.13 0.95 -0.10 0.00 0.00 175.22 175.88 3h3b s THR 78 N -0.77 0.99 -0.18 0.64 -4.23 -0.23 0.78 115.64 112.64 3h3b s THR 78 Ca -0.03 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3h3b s THR 78 Cb -0.06 -0.92 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 3h3b s THR 78 CO 0.00 -0.06 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.68 3h3b s LEU 79 N -1.19 2.61 -0.09 4.79 2.96 0.24 -1.38 118.68 126.62 3h3b s LEU 79 Ca -0.00 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3h3b s LEU 79 Cb -0.08 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3h3b s LEU 79 CO 0.01 0.05 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.02 3h3b s THR 80 N 1.06 2.73 -0.25 3.68 2.01 0.32 -1.99 115.64 123.21 3h3b s THR 80 Ca -0.00 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3h3b s THR 80 Cb -0.15 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3h3b s THR 80 CO -0.03 0.56 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 3h3b s ILE 81 N -0.10 3.78 0.07 1.82 -1.09 -0.89 -0.33 121.20 124.46 3h3b s ILE 81 Ca -0.03 -0.48 -0.28 0.00 -2.23 0.00 0.00 60.65 57.63 3h3b s ILE 81 Cb -0.14 -2.81 -0.13 0.00 -1.58 0.00 0.00 42.46 37.80 3h3b s ILE 81 CO 0.04 0.29 1.43 1.23 -1.23 0.00 0.00 174.94 176.71 3h3b h GLY 82 N 8.18 -1.15 -7.16 6.18 0.00 -1.62 -2.73 103.07 104.77 3h3b h GLY 82 Ca -0.37 0.53 -0.48 0.00 0.00 0.00 0.00 47.33 47.01 3h3b h GLY 82 CO 0.59 -0.35 -0.76 -1.35 0.00 0.00 0.00 176.54 174.68 3h3b s SER 83 N -3.90 2.40 0.10 0.19 1.04 -1.26 -3.72 113.70 108.56 3h3b s SER 83 Ca -0.14 -0.58 -0.31 0.00 0.48 0.00 0.00 55.95 55.40 3h3b s SER 83 Cb 0.03 -0.42 -0.09 0.00 0.10 0.00 0.00 66.02 65.64 3h3b s SER 83 CO 0.47 -0.30 1.63 0.68 0.98 0.00 0.00 173.24 176.70 3h3b s VAL 84 N 1.99 2.89 0.87 5.02 -7.23 -0.89 -4.82 120.40 118.22 3h3b s VAL 84 Ca 0.01 0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.52 3h3b s VAL 84 Cb -0.16 -3.30 0.15 0.00 0.56 0.00 0.00 36.38 33.64 3h3b s VAL 84 CO -0.08 0.01 1.21 -0.54 -0.31 0.00 0.00 175.10 175.40 3h3b s LYS 85 N 2.15 1.24 0.18 4.82 3.01 -1.26 -2.17 119.74 127.70 3h3b s LYS 85 Ca 0.73 -0.37 -0.05 0.00 -1.01 0.00 0.00 55.97 55.27 3h3b s LYS 85 Cb -0.41 -1.97 0.08 0.00 -1.01 0.00 0.00 37.83 34.52 3h3b s LYS 85 CO 0.32 -1.98 1.49 0.00 0.51 0.00 0.00 175.35 175.69 3h3b h ALA 86 N -1.25 0.66 0.00 5.17 0.00 -2.01 -3.13 119.26 118.70 3h3b h ALA 86 Ca -0.44 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3h3b h ALA 86 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h3b h ALA 86 CO 0.47 0.69 0.00 1.05 0.00 0.00 0.00 179.25 181.46 3h3b h GLU 87 N 0.47 0.00 0.00 0.00 4.11 -2.02 -2.95 114.58 114.19 3h3b h GLU 87 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3h3b h GLU 87 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3h3b h GLU 87 CO 0.11 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.94 3h3b n ASP 88 N -2.68 0.00 -4.57 3.06 10.43 -1.18 -4.75 116.55 116.86 3h3b n ASP 88 Ca -0.01 -0.57 -0.38 0.00 2.57 0.00 0.00 54.79 56.40 3h3b n ASP 88 Cb 0.12 -0.11 -0.03 0.00 1.84 0.00 0.00 41.12 42.95 3h3b n ASP 88 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3h3b s LEU 89 N -2.22 3.41 0.22 0.64 2.96 -1.12 -4.86 118.68 117.73 3h3b s LEU 89 Ca 0.35 1.31 -0.22 0.00 -0.22 0.00 0.00 54.13 55.35 3h3b s LEU 89 Cb 0.18 -2.81 0.06 0.00 0.50 0.00 0.00 46.19 44.13 3h3b s LEU 89 CO 0.35 -2.61 0.93 0.00 -1.32 0.00 0.00 176.35 173.70 3h3b s ALA 90 N 11.03 -1.40 -0.18 5.97 0.00 -1.26 -4.41 121.76 131.50 3h3b s ALA 90 Ca 0.98 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 3h3b s ALA 90 Cb -0.22 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3h3b s ALA 90 CO 0.29 -1.04 0.06 0.08 0.00 0.00 0.00 175.76 175.14 3h3b s VAL 91 N -2.78 4.74 -0.19 0.00 1.01 -0.78 -1.86 120.40 120.53 3h3b s VAL 91 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3h3b s VAL 91 Cb -0.03 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3h3b s VAL 91 CO 0.06 0.46 -0.03 -0.31 0.00 0.00 0.00 175.10 175.28 3h3b s TYR 92 N 0.42 3.00 -0.12 5.22 2.02 0.17 -1.58 117.35 126.48 3h3b s TYR 92 Ca 0.03 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3h3b s TYR 92 Cb -0.13 -2.05 -0.00 0.00 -0.40 0.00 0.00 41.96 39.38 3h3b s TYR 92 CO 0.01 -0.29 -0.19 0.71 -1.57 0.00 0.00 175.55 174.22 3h3b s TYR 93 N 0.99 2.68 0.23 2.71 1.51 -0.11 -1.35 117.35 124.01 3h3b s TYR 93 Ca 0.01 -0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 55.02 3h3b s TYR 93 Cb -0.14 -1.79 -0.08 0.00 -0.11 0.00 0.00 41.96 39.84 3h3b s TYR 93 CO 0.01 -0.36 0.60 0.00 -1.11 0.00 0.00 175.55 174.68 3h3b s GLN 95 N -2.63 0.26 -0.09 0.00 -0.44 0.79 -0.05 119.66 117.50 3h3b s GLN 95 Ca 0.46 0.47 -0.02 0.00 -2.50 0.00 0.00 55.36 53.77 3h3b s GLN 95 Cb -0.12 0.00 -0.03 0.00 -1.64 0.00 0.00 33.01 31.22 3h3b s GLN 95 CO 0.20 -0.11 0.00 1.14 0.50 0.00 0.00 175.29 177.02 3h3b s GLN 96 N 0.77 3.04 -0.25 1.67 1.03 -0.74 -0.19 119.66 124.99 3h3b s GLN 96 Ca -0.05 -0.41 0.13 0.00 0.04 0.00 0.00 55.36 55.07 3h3b s GLN 96 Cb -0.06 -2.81 0.47 0.00 0.03 0.00 0.00 33.01 30.63 3h3b s GLN 96 CO -0.05 0.67 1.17 2.48 -2.54 0.00 0.00 175.29 177.02 3h3b n TYR 97 N 2.25 1.78 0.01 9.60 4.11 -0.81 -3.16 117.16 130.94 3h3b n TYR 97 Ca -0.18 -1.98 -0.22 0.00 -0.00 0.00 0.00 57.90 55.52 3h3b n TYR 97 Cb 0.54 -0.28 -0.14 0.00 -0.00 0.00 0.00 39.34 39.45 3h3b n TYR 97 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3h3b h SER 98 N 2.06 0.40 -5.04 9.48 0.87 -1.93 -3.49 113.55 115.90 3h3b h SER 98 Ca 0.14 -0.86 -0.12 0.00 -1.23 0.00 0.00 61.79 59.71 3h3b h SER 98 Cb 1.42 -0.13 -0.18 0.00 -0.44 0.00 0.00 62.40 63.07 3h3b h SER 98 CO 0.45 1.70 -0.44 0.20 -0.53 0.00 0.00 176.83 178.21 3h3b s ASN 99 N -7.06 0.05 0.28 6.23 0.01 -1.26 -5.13 114.94 108.05 3h3b s ASN 99 Ca -0.21 -0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 51.32 3h3b s ASN 99 Cb 0.05 0.25 -0.09 0.00 0.41 0.00 0.00 41.25 41.87 3h3b s ASN 99 CO 0.77 -0.49 1.14 -0.31 -1.51 0.00 0.00 177.10 176.70 3h3b s TYR 100 N -2.15 3.48 0.47 2.20 4.12 -1.26 -3.17 117.35 121.04 3h3b s TYR 100 Ca -0.08 1.62 -0.20 0.00 0.02 0.00 0.00 57.07 58.43 3h3b s TYR 100 Cb -0.03 -3.36 -0.09 0.00 -1.52 0.00 0.00 41.96 36.95 3h3b s TYR 100 CO -0.02 -0.83 0.99 -1.25 0.02 0.00 0.00 175.55 174.46 3h3b s PRO 101 N -1.36 3.99 0.38 -1.71 0.04 -1.26 -4.86 135.00 130.23 3h3b s PRO 101 Ca 0.46 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 3h3b s PRO 101 Cb -0.33 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 3h3b s PRO 101 CO 0.42 -0.24 1.34 -1.58 0.04 0.00 0.00 177.00 176.98 3h3b s TRP 102 N -2.20 2.81 0.07 0.56 0.52 -1.19 -4.71 118.94 114.80 3h3b s TRP 102 Ca 0.63 1.36 0.02 0.00 0.02 0.00 0.00 56.10 58.14 3h3b s TRP 102 Cb -0.12 -3.75 -0.03 0.00 -1.15 0.00 0.00 33.47 28.42 3h3b s TRP 102 CO 0.19 -2.24 -0.08 0.95 0.02 0.00 0.00 176.95 175.79 3h3b s THR 103 N -1.20 0.68 0.19 2.01 -4.23 -1.19 -4.38 115.64 107.52 3h3b s THR 103 Ca 0.54 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 3h3b s THR 103 Cb -0.40 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3h3b s THR 103 CO 0.53 -0.59 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.61 3h3b s PHE 104 N -2.40 2.73 0.87 3.99 0.40 -1.26 -1.79 117.98 120.51 3h3b s PHE 104 Ca 0.01 -0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 3h3b s PHE 104 Cb -0.03 -1.31 0.11 0.00 0.51 0.00 0.00 43.02 42.30 3h3b s PHE 104 CO -0.02 0.53 1.15 0.20 0.70 0.00 0.00 175.22 177.79 3h3b s GLY 105 N -3.00 1.58 0.53 4.36 0.00 0.92 -4.50 107.32 107.21 3h3b s GLY 105 Ca 0.27 -0.57 0.31 0.00 0.00 0.00 0.00 44.72 44.73 3h3b s GLY 105 CO 0.17 -0.05 1.99 -1.33 0.00 0.00 0.00 173.10 173.89 3h3b h GLY 106 N -1.30 0.00 0.00 0.20 0.00 -1.89 -3.43 103.07 96.64 3h3b h GLY 106 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h3b h GLY 106 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 3h3b n GLY 107 N -0.14 2.23 3.02 4.60 0.00 -1.26 -4.39 105.19 109.25 3h3b n GLY 107 Ca -0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 3h3b n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3b s THR 108 N -1.98 1.67 -0.23 2.61 2.01 -0.46 -4.45 115.64 114.82 3h3b s THR 108 Ca 0.00 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 3h3b s THR 108 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 3h3b s THR 108 CO 0.00 0.36 0.20 -0.60 -0.69 0.00 0.00 174.62 173.88 3h3b s ARG 109 N 1.42 4.11 -0.35 4.92 3.52 -0.82 -0.66 118.95 131.09 3h3b s ARG 109 Ca 0.03 -0.18 -0.19 0.00 -0.13 0.00 0.00 55.73 55.25 3h3b s ARG 109 Cb -0.14 -3.52 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3h3b s ARG 109 CO -0.10 0.08 0.57 -0.51 -0.81 0.00 0.00 175.30 174.53 3h3b s LEU 110 N 0.99 4.30 -0.14 -0.88 1.43 -0.78 -0.48 118.68 123.11 3h3b s LEU 110 Ca 0.10 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3h3b s LEU 110 Cb -0.13 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3h3b s LEU 110 CO 0.04 -0.53 0.10 -1.83 0.23 0.00 0.00 176.35 174.37 3h3b s GLU 111 N 2.53 3.64 0.00 1.70 -1.05 -0.76 -4.15 118.70 120.62 3h3b s GLU 111 Ca 0.21 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.51 3h3b s GLU 111 Cb -0.15 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 3h3b s GLU 111 CO 0.14 0.57 0.94 0.96 0.95 0.00 0.00 175.26 178.82 3h3b s ILE 112 N -0.44 4.85 -2.64 1.83 -4.36 -1.26 -0.25 121.20 118.94 3h3b s ILE 112 Ca 0.11 1.98 0.24 0.00 -0.26 0.00 0.00 60.65 62.72 3h3b s ILE 112 Cb -0.12 -4.28 0.36 0.00 1.25 0.00 0.00 42.46 39.67 3h3b s ILE 112 CO 0.02 0.19 1.38 0.29 0.24 0.00 0.00 174.94 177.05 3h3b n LYS 113 N 3.75 2.41 0.00 0.37 5.02 0.11 -4.85 118.16 124.96 3h3b n LYS 113 Ca 0.05 -2.10 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 3h3b n LYS 113 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3h3b n LYS 113 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3h3b n SER 134 N 1.37 0.00 0.30 4.39 2.88 -1.26 -4.92 113.62 116.39 3h3b n SER 134 Ca 0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.60 3h3b n SER 134 Cb 0.59 0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 3h3b n SER 134 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3h3b h GLU 135 N 0.00 -0.75 -6.11 -1.46 4.57 -1.93 -3.39 114.58 105.51 3h3b h GLU 135 Ca 0.00 0.05 -0.57 0.00 -1.18 0.00 0.00 59.36 57.66 3h3b h GLU 135 Cb 0.00 0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3h3b h GLU 135 CO 0.00 -0.50 1.41 0.08 -1.18 0.00 0.00 179.01 178.82 3h3b s VAL 136 N -4.47 3.02 -0.01 0.32 1.01 -1.26 -3.68 120.40 115.34 3h3b s VAL 136 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3h3b s VAL 136 Cb 0.01 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3h3b s VAL 136 CO 0.34 -0.01 0.01 -1.10 0.00 0.00 0.00 175.10 174.33 3h3b s GLN 137 N 5.74 0.01 -0.30 2.72 -0.21 -0.68 -5.01 119.66 121.93 3h3b s GLN 137 Ca 0.96 0.05 -0.04 0.00 0.02 0.00 0.00 55.36 56.35 3h3b s GLN 137 Cb -0.36 -0.10 0.03 0.00 1.00 0.00 0.00 33.01 33.59 3h3b s GLN 137 CO 0.37 -0.04 0.03 -0.51 -2.12 0.00 0.00 175.29 173.02 3h3b s LEU 138 N 0.31 3.83 -0.36 2.90 1.43 -1.26 -2.05 118.68 123.49 3h3b s LEU 138 Ca -0.03 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 3h3b s LEU 138 Cb -0.04 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3h3b s LEU 138 CO -0.01 -0.23 0.20 -1.58 0.23 0.00 0.00 176.35 174.96 3h3b s GLN 139 N 1.37 3.02 0.18 1.70 -0.44 0.12 -3.74 119.66 121.87 3h3b s GLN 139 Ca -0.01 -0.95 -0.03 0.00 -2.50 0.00 0.00 55.36 51.87 3h3b s GLN 139 Cb -0.18 -3.71 -0.05 0.00 -1.64 0.00 0.00 33.01 27.43 3h3b s GLN 139 CO 0.00 -0.61 0.40 -0.65 0.50 0.00 0.00 175.29 174.93 3h3b s GLN 140 N 1.59 3.57 0.88 1.67 -0.21 -1.26 -0.29 119.66 125.61 3h3b s GLN 140 Ca 0.03 -0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.11 3h3b s GLN 140 Cb -0.18 -2.83 0.12 0.00 1.00 0.00 0.00 33.01 31.12 3h3b s GLN 140 CO 0.07 0.42 1.11 -1.54 -2.12 0.00 0.00 175.29 173.22 3h3b s SER 141 N -2.83 3.40 1.24 5.90 1.04 -0.97 -4.99 113.70 116.49 3h3b s SER 141 Ca 0.40 1.89 -0.20 0.00 0.48 0.00 0.00 55.95 58.52 3h3b s SER 141 Cb -0.11 -2.47 0.30 0.00 0.10 0.00 0.00 66.02 63.84 3h3b s SER 141 CO 0.27 -2.75 1.09 -0.83 0.98 0.00 0.00 173.24 172.00 3h3b s GLY 142 N -3.04 1.56 0.55 7.32 0.00 -1.26 -4.63 107.32 107.82 3h3b s GLY 142 Ca 0.64 -0.95 -0.21 0.00 0.00 0.00 0.00 44.72 44.21 3h3b s GLY 142 CO 0.58 -0.04 1.28 2.56 0.00 0.00 0.00 173.10 177.49 3h3b s PRO 143 N -5.37 3.16 -0.07 2.90 0.04 -1.26 -4.69 135.00 129.71 3h3b s PRO 143 Ca 0.71 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.84 3h3b s PRO 143 Cb -0.10 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 3h3b s PRO 143 CO 0.56 -1.12 -0.22 -1.21 0.04 0.00 0.00 177.00 175.05 3h3b s GLU 144 N -3.00 2.54 -0.29 4.56 0.41 0.13 -4.97 118.70 118.08 3h3b s GLU 144 Ca 0.72 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 3h3b s GLU 144 Cb -0.36 -2.05 0.08 0.00 -1.78 0.00 0.00 34.13 30.02 3h3b s GLU 144 CO 0.41 0.25 -0.00 0.08 -0.49 0.00 0.00 175.26 175.52 3h3b s VAL 145 N 0.13 1.78 0.45 2.63 1.01 -1.26 -0.21 120.40 124.93 3h3b s VAL 145 Ca -0.10 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.21 3h3b s VAL 145 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3h3b s VAL 145 CO 0.05 -0.35 0.06 0.68 0.00 0.00 0.00 175.10 175.54 3h3b s VAL 146 N 1.22 0.96 0.29 2.92 -7.23 0.11 -4.99 120.40 113.68 3h3b s VAL 146 Ca 0.02 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 3h3b s VAL 146 Cb -0.19 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3h3b s VAL 146 CO -0.10 0.00 0.12 -1.59 -0.31 0.00 0.00 175.10 173.22 3h3b s LYS 147 N -3.79 2.51 0.20 4.82 -2.85 -1.26 -0.15 119.74 119.21 3h3b s LYS 147 Ca 0.16 -1.37 -0.33 0.00 -1.00 0.00 0.00 55.97 53.44 3h3b s LYS 147 Cb 0.03 -2.29 -0.13 0.00 -2.06 0.00 0.00 37.83 33.38 3h3b s LYS 147 CO 0.09 0.26 1.58 2.41 0.10 0.00 0.00 175.35 179.79 3h3b n THR 148 N -1.09 0.25 0.00 3.79 -1.04 -1.09 -2.10 114.28 113.01 3h3b n THR 148 Ca -0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3h3b n THR 148 Cb 0.60 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3h3b n THR 148 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h3b n GLY 149 N 3.20 3.37 3.80 3.41 0.00 0.81 -4.91 105.19 114.86 3h3b n GLY 149 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3h3b n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3b s ALA 150 N -2.48 1.81 0.14 4.61 0.00 -0.89 -4.04 121.76 120.90 3h3b s ALA 150 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.39 3h3b s ALA 150 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3h3b s ALA 150 CO 0.00 -2.36 -0.08 -1.12 0.00 0.00 0.00 175.76 172.20 3h3b s SER 151 N -4.16 4.39 0.01 0.00 0.01 -1.26 -1.47 113.70 111.22 3h3b s SER 151 Ca 0.65 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.48 3h3b s SER 151 Cb -0.13 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 3h3b s SER 151 CO 0.53 0.14 -0.07 0.54 0.41 0.00 0.00 173.24 174.79 3h3b s VAL 152 N -1.46 0.52 -0.20 3.43 0.11 0.16 -5.00 120.40 117.95 3h3b s VAL 152 Ca 0.23 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3h3b s VAL 152 Cb -0.10 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3h3b s VAL 152 CO 0.15 0.00 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.01 3h3b s LYS 153 N -0.53 2.89 -0.12 1.54 2.20 -1.26 -0.51 119.74 123.95 3h3b s LYS 153 Ca -0.01 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 54.60 3h3b s LYS 153 Cb -0.04 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 3h3b s LYS 153 CO 0.00 -0.28 0.20 0.42 -0.36 0.00 0.00 175.35 175.32 3h3b s ILE 154 N 1.28 5.40 0.10 5.43 1.01 -0.36 -4.96 121.20 129.10 3h3b s ILE 154 Ca 0.02 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.06 3h3b s ILE 154 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3h3b s ILE 154 CO -0.10 0.56 0.04 -0.94 0.00 0.00 0.00 174.94 174.50 3h3b s SER 155 N -0.67 5.20 -0.28 3.58 1.04 -1.26 -1.37 113.70 119.94 3h3b s SER 155 Ca 0.15 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 3h3b s SER 155 Cb -0.13 -1.29 0.09 0.00 0.10 0.00 0.00 66.02 64.80 3h3b s SER 155 CO 0.05 0.16 0.11 0.00 0.98 0.00 0.00 173.24 174.53 3h3b s LYS 157 N 1.90 4.26 -0.13 0.00 2.47 0.60 -0.64 119.74 128.21 3h3b s LYS 157 Ca 0.08 0.66 -0.05 0.00 -1.56 0.00 0.00 55.97 55.10 3h3b s LYS 157 Cb -0.17 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 3h3b s LYS 157 CO -0.29 -0.17 0.05 0.00 0.16 0.00 0.00 175.35 175.10 3h3b s ALA 158 N 1.65 3.44 0.13 3.13 0.00 0.05 0.14 121.76 130.30 3h3b s ALA 158 Ca 0.30 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 3h3b s ALA 158 Cb -0.16 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 3h3b s ALA 158 CO 0.12 0.45 0.25 -1.54 0.00 0.00 0.00 175.76 175.03 3h3b s SER 159 N -0.46 0.07 0.00 0.00 1.04 -0.87 -4.84 113.70 108.64 3h3b s SER 159 Ca 0.09 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3h3b s SER 159 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3h3b s SER 159 CO 0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3h3b n GLY 160 N -0.15 0.76 3.70 7.32 0.00 -1.24 -1.69 105.19 113.88 3h3b n GLY 160 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3h3b n GLY 160 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3b s TYR 161 N -2.84 -0.14 -0.61 1.61 1.13 -1.26 -4.24 117.35 111.00 3h3b s TYR 161 Ca 0.00 -0.25 -0.27 0.00 -1.41 0.00 0.00 57.07 55.14 3h3b s TYR 161 Cb 0.00 0.55 0.01 0.00 -1.10 0.00 0.00 41.96 41.43 3h3b s TYR 161 CO 0.00 -1.09 1.42 0.45 -2.51 0.00 0.00 175.55 173.82 3h3b s SER 162 N -2.90 6.06 0.20 -0.18 0.15 -1.26 -4.91 113.70 110.85 3h3b s SER 162 Ca 0.11 0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.73 3h3b s SER 162 Cb -0.04 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 3h3b s SER 162 CO 0.03 -1.81 1.65 0.15 1.20 0.00 0.00 173.24 174.46 3h3b h PHE 163 N 11.17 -0.22 0.00 3.44 3.57 -1.97 -2.03 116.94 130.90 3h3b h PHE 163 Ca -0.27 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3h3b h PHE 163 Cb 1.09 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3h3b h PHE 163 CO 1.06 -0.22 0.00 0.25 -2.23 0.00 0.00 178.31 177.17 3h3b n THR 164 N -5.36 0.68 1.09 4.41 -2.24 -1.26 -2.87 114.28 108.73 3h3b n THR 164 Ca 0.07 0.17 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 3h3b n THR 164 Cb 0.32 -0.89 0.35 0.00 -2.10 0.00 0.00 70.33 68.01 3h3b n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h3b n GLY 165 N 0.17 0.52 3.42 3.38 0.00 -0.76 -4.03 105.19 107.88 3h3b n GLY 165 Ca 0.06 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3h3b n GLY 165 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h3b s TYR 166 N -1.77 1.78 0.16 1.61 2.02 -1.14 -4.66 117.35 115.35 3h3b s TYR 166 Ca 0.34 -1.50 0.10 0.00 -0.37 0.00 0.00 57.07 55.63 3h3b s TYR 166 Cb 0.19 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3h3b s TYR 166 CO 0.28 -0.60 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.40 3h3b s PHE 167 N -3.28 2.44 -0.27 2.71 0.40 0.42 -2.65 117.98 117.75 3h3b s PHE 167 Ca 0.31 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 3h3b s PHE 167 Cb 0.02 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.32 3h3b s PHE 167 CO 0.21 0.45 -0.00 0.42 0.70 0.00 0.00 175.22 176.99 3h3b s ILE 168 N -1.43 3.23 0.30 0.64 -1.09 -0.66 -2.42 121.20 119.77 3h3b s ILE 168 Ca 0.20 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 3h3b s ILE 168 Cb -0.09 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 3h3b s ILE 168 CO 0.10 0.10 0.57 0.20 -1.23 0.00 0.00 174.94 174.68 3h3b s ASN 169 N 1.36 6.45 -0.10 3.58 -0.87 0.17 -1.36 114.94 124.17 3h3b s ASN 169 Ca -0.00 0.74 0.01 0.00 -1.57 0.00 0.00 52.86 52.04 3h3b s ASN 169 Cb -0.17 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 38.92 3h3b s ASN 169 CO -0.02 -0.21 -0.13 0.26 -2.57 0.00 0.00 177.10 174.43 3h3b s TRP 170 N -2.10 1.80 -0.03 2.20 0.52 0.41 -0.60 118.94 121.14 3h3b s TRP 170 Ca 0.44 -0.84 0.07 0.00 0.02 0.00 0.00 56.10 55.79 3h3b s TRP 170 Cb -0.11 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 3h3b s TRP 170 CO 0.30 -0.46 -0.23 0.08 0.02 0.00 0.00 176.95 176.66 3h3b s VAL 171 N 1.09 1.82 -0.16 4.03 1.01 0.31 0.36 120.40 128.87 3h3b s VAL 171 Ca -0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3h3b s VAL 171 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3h3b s VAL 171 CO -0.02 0.51 0.04 -0.75 0.00 0.00 0.00 175.10 174.88 3h3b s LYS 172 N -0.42 3.71 -0.13 2.72 2.20 0.46 -0.53 119.74 127.75 3h3b s LYS 172 Ca 0.05 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3h3b s LYS 172 Cb -0.10 -3.09 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3h3b s LYS 172 CO 0.00 0.39 -0.02 0.21 -0.36 0.00 0.00 175.35 175.57 3h3b s LYS 173 N 0.03 0.97 -0.09 4.03 2.47 -0.37 -0.47 119.74 126.30 3h3b s LYS 173 Ca 0.05 -0.21 -0.02 0.00 -1.56 0.00 0.00 55.97 54.22 3h3b s LYS 173 Cb -0.12 -1.57 -0.03 0.00 -1.46 0.00 0.00 37.83 34.65 3h3b s LYS 173 CO 0.01 -0.40 0.01 -0.80 0.16 0.00 0.00 175.35 174.33 3h3b s ASN 174 N 1.82 5.29 0.18 1.43 0.01 -1.26 -2.10 114.94 120.31 3h3b s ASN 174 Ca 0.03 0.15 -0.31 0.00 -0.71 0.00 0.00 52.86 52.02 3h3b s ASN 174 Cb -0.14 -1.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.90 3h3b s ASN 174 CO -0.07 0.37 1.41 -0.94 -1.51 0.00 0.00 177.10 176.36 3h3b s SER 175 N -0.81 6.76 0.00 -1.22 1.04 -1.26 -1.61 113.70 116.61 3h3b s SER 175 Ca 0.12 2.47 0.00 0.00 0.48 0.00 0.00 55.95 59.03 3h3b s SER 175 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3h3b s SER 175 CO 0.02 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3h3b n GLY 176 N 2.95 0.77 3.32 7.32 0.00 -1.26 -5.05 105.19 113.24 3h3b n GLY 176 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3h3b n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3b s LYS 177 N -0.35 1.24 0.54 1.61 1.02 -0.63 -5.14 119.74 118.04 3h3b s LYS 177 Ca 0.00 -1.47 -0.21 0.00 0.02 0.00 0.00 55.97 54.31 3h3b s LYS 177 Cb 0.00 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 3h3b s LYS 177 CO 0.00 0.20 1.27 -1.12 -0.92 0.00 0.00 175.35 174.78 3h3b s SER 178 N -2.97 5.43 0.42 2.83 0.01 -1.26 -4.65 113.70 113.51 3h3b s SER 178 Ca 0.18 2.54 -0.25 0.00 1.31 0.00 0.00 55.95 59.73 3h3b s SER 178 Cb -0.03 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 3h3b s SER 178 CO 0.06 -1.44 1.19 -2.84 0.41 0.00 0.00 173.24 170.61 3h3b s PRO 179 N -3.00 3.95 -0.15 12.44 0.02 -1.26 -4.63 135.00 142.37 3h3b s PRO 179 Ca 0.72 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 3h3b s PRO 179 Cb -0.35 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3h3b s PRO 179 CO 0.40 -0.41 -0.09 -1.21 -0.33 0.00 0.00 177.00 175.36 3h3b s GLU 180 N -2.40 3.48 -0.38 5.54 2.02 0.38 -4.35 118.70 122.99 3h3b s GLU 180 Ca 0.59 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 3h3b s GLU 180 Cb -0.31 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.17 3h3b s GLU 180 CO 0.39 0.19 1.31 -0.46 0.02 0.00 0.00 175.26 176.70 3h3b s TRP 181 N 0.45 2.61 -0.01 1.61 -0.00 -1.26 -0.40 118.94 121.94 3h3b s TRP 181 Ca -0.07 0.77 -0.21 0.00 -0.00 0.00 0.00 56.10 56.58 3h3b s TRP 181 Cb -0.15 -4.18 -0.21 0.00 -0.00 0.00 0.00 33.47 28.93 3h3b s TRP 181 CO 0.04 -1.70 1.13 0.82 -0.00 0.00 0.00 176.95 177.23 3h3b h ILE 182 N 6.22 1.45 0.00 5.86 2.04 -0.46 -3.41 117.51 129.21 3h3b h ILE 182 Ca -0.26 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3h3b h ILE 182 Cb 1.09 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3h3b h ILE 182 CO 1.07 0.53 0.00 0.61 0.00 0.00 0.00 178.15 180.37 3h3b n GLY 183 N 0.87 -1.85 3.11 5.37 0.00 -1.19 -0.28 105.19 111.22 3h3b n GLY 183 Ca -0.09 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 3h3b n GLY 183 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h3b s HIS 184 N -2.54 0.53 -0.02 1.61 -3.43 -0.57 -0.45 115.29 110.43 3h3b s HIS 184 Ca 0.00 -1.04 0.05 0.00 -0.80 0.00 0.00 55.06 53.27 3h3b s HIS 184 Cb 0.00 -0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 30.77 3h3b s HIS 184 CO 0.00 -0.42 -0.18 -1.50 -2.00 0.00 0.00 174.74 170.63 3h3b s ILE 185 N -3.93 1.48 -0.14 -5.38 2.07 -0.46 -1.03 121.20 113.80 3h3b s ILE 185 Ca 0.10 -0.79 -0.29 0.00 -1.41 0.00 0.00 60.65 58.26 3h3b s ILE 185 Cb 0.08 -1.24 -0.03 0.00 0.13 0.00 0.00 42.46 41.40 3h3b s ILE 185 CO -0.08 0.42 1.46 -0.55 -1.91 0.00 0.00 174.94 174.28 3h3b s SER 186 N -0.32 6.75 0.59 4.50 0.15 0.09 -1.66 113.70 123.81 3h3b s SER 186 Ca 0.04 1.86 0.37 0.00 0.70 0.00 0.00 55.95 58.92 3h3b s SER 186 Cb -0.08 -2.54 1.80 0.00 -1.71 0.00 0.00 66.02 63.49 3h3b s SER 186 CO 0.00 -0.90 2.15 0.28 1.20 0.00 0.00 173.24 175.97 3h3b h SER 187 N 9.09 0.00 0.00 5.45 0.02 -1.80 0.95 113.55 127.27 3h3b h SER 187 Ca -0.32 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.25 3h3b h SER 187 Cb 1.14 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 3h3b h SER 187 CO 0.97 0.02 -2.45 -1.54 -1.14 0.00 0.00 176.83 172.70 3h3b n SER 188 N -3.19 1.76 -0.88 3.07 3.41 -1.26 -4.59 113.62 111.95 3h3b n SER 188 Ca -0.01 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3h3b n SER 188 Cb 0.20 -0.23 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 3h3b n SER 188 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h3b n TYR 189 N -3.19 0.03 -2.43 7.33 4.01 -1.20 -4.97 117.16 116.75 3h3b n TYR 189 Ca -0.44 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.90 57.14 3h3b n TYR 189 Cb 1.00 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.03 3h3b n TYR 189 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h3b n ALA 190 N 1.23 -0.74 -2.67 -0.72 0.00 0.32 -4.93 120.51 113.00 3h3b n ALA 190 Ca 0.13 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3h3b n ALA 190 Cb 0.54 -1.69 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 3h3b n ALA 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3h3b s THR 191 N -2.73 4.91 -0.11 0.00 2.01 -1.24 -4.80 115.64 113.67 3h3b s THR 191 Ca 0.00 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.52 3h3b s THR 191 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3h3b s THR 191 CO 0.00 0.04 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.47 3h3b s SER 192 N 1.18 4.65 -0.10 3.53 0.01 -1.26 -0.73 113.70 120.97 3h3b s SER 192 Ca 0.36 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.54 3h3b s SER 192 Cb -0.16 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.58 3h3b s SER 192 CO 0.12 0.25 -0.18 -0.89 0.41 0.00 0.00 173.24 172.95 3h3b s THR 193 N -0.16 1.64 -0.06 1.44 2.01 -0.20 -5.02 115.64 115.30 3h3b s THR 193 Ca 0.02 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.30 3h3b s THR 193 Cb -0.13 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3h3b s THR 193 CO 0.03 0.47 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.99 3h3b s TYR 194 N 0.75 2.78 0.11 4.92 2.02 -1.26 -1.51 117.35 125.16 3h3b s TYR 194 Ca -0.11 -0.12 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 3h3b s TYR 194 Cb -0.16 -1.66 -0.10 0.00 -0.40 0.00 0.00 41.96 39.64 3h3b s TYR 194 CO 0.02 0.22 1.85 1.21 -1.57 0.00 0.00 175.55 177.27 3h3b s ASN 195 N -0.72 6.43 0.54 2.29 3.84 0.61 -4.87 114.94 123.07 3h3b s ASN 195 Ca 0.11 2.74 0.32 0.00 0.21 0.00 0.00 52.86 56.25 3h3b s ASN 195 Cb -0.11 -2.56 1.49 0.00 -0.55 0.00 0.00 41.25 39.52 3h3b s ASN 195 CO 0.01 -1.01 1.87 -0.61 -2.79 0.00 0.00 177.10 174.57 3h3b h GLN 196 N 8.86 0.00 -0.54 0.43 5.75 -1.94 0.39 115.11 128.06 3h3b h GLN 196 Ca -0.46 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.07 3h3b h GLN 196 Cb 1.22 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 3h3b h GLN 196 CO 0.95 0.00 0.36 -0.22 -2.65 0.00 0.00 178.83 177.26 3h3b h LYS 197 N 0.00 0.58 -0.13 1.69 3.11 -1.94 -3.06 116.57 116.81 3h3b h LYS 197 Ca 0.44 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.25 3h3b h LYS 197 Cb 1.78 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 3h3b h LYS 197 CO -0.00 0.38 0.00 1.19 -2.81 0.00 0.00 179.45 178.21 3h3b n PHE 198 N -4.47 0.17 -0.26 1.91 3.72 0.13 -4.79 117.46 113.87 3h3b n PHE 198 Ca 0.06 -0.21 0.01 0.00 -0.05 0.00 0.00 57.45 57.27 3h3b n PHE 198 Cb 0.16 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 38.77 3h3b n PHE 198 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3h3b h LYS 199 N 1.84 0.00 -0.71 -1.08 1.63 -1.18 0.35 116.57 117.43 3h3b h LYS 199 Ca 0.00 -0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 3h3b h LYS 199 Cb 0.53 -0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 31.96 3h3b h LYS 199 CO 0.00 0.00 0.33 0.27 -3.45 0.00 0.00 179.45 176.60 3h3b n ASN 200 N -5.49 3.55 -0.02 4.20 6.94 -1.26 -4.31 115.26 118.87 3h3b n ASN 200 Ca 0.10 -3.57 -0.03 0.00 -0.02 0.00 0.00 54.58 51.07 3h3b n ASN 200 Cb 0.38 -0.74 -0.02 0.00 -2.36 0.00 0.00 39.78 37.03 3h3b n ASN 200 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 3h3b n LYS 201 N -0.93 0.67 -4.30 -3.83 3.00 -0.01 -4.91 118.16 107.84 3h3b n LYS 201 Ca 0.46 0.02 -0.28 0.00 -0.00 0.00 0.00 58.31 58.51 3h3b n LYS 201 Cb 1.39 -1.09 -0.11 0.00 0.00 0.00 0.00 35.03 35.22 3h3b n LYS 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3h3b s ALA 202 N -2.09 2.77 -0.07 3.14 0.00 -0.46 -2.26 121.76 122.79 3h3b s ALA 202 Ca -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 3h3b s ALA 202 Cb 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.51 3h3b s ALA 202 CO 0.12 0.55 0.17 0.00 0.00 0.00 0.00 175.76 176.59 3h3b s ALA 203 N -1.36 -0.33 -0.15 0.00 0.00 -0.67 -4.85 121.76 114.40 3h3b s ALA 203 Ca 0.20 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 3h3b s ALA 203 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3h3b s ALA 203 CO 0.12 -0.16 0.07 -0.06 0.00 0.00 0.00 175.76 175.72 3h3b s PHE 204 N 1.16 3.31 0.08 0.00 2.99 -1.26 -1.09 117.98 123.18 3h3b s PHE 204 Ca -0.09 0.21 0.04 0.00 0.00 0.00 0.00 56.93 57.08 3h3b s PHE 204 Cb -0.11 -1.98 -0.03 0.00 0.00 0.00 0.00 43.02 40.90 3h3b s PHE 204 CO -0.06 0.36 -0.10 0.95 -0.00 0.00 0.00 175.22 176.37 3h3b s THR 205 N -0.24 0.89 0.01 0.64 -4.23 -0.96 -5.01 115.64 106.75 3h3b s THR 205 Ca 0.08 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3h3b s THR 205 Cb -0.12 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 3h3b s THR 205 CO 0.01 -0.48 -0.12 0.68 -0.54 0.00 0.00 174.62 174.17 3h3b s VAL 206 N -2.10 0.94 -0.43 2.29 -7.23 -1.26 0.07 120.40 112.69 3h3b s VAL 206 Ca 0.02 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3h3b s VAL 206 Cb -0.05 -0.83 0.09 0.00 0.56 0.00 0.00 36.38 36.15 3h3b s VAL 206 CO 0.00 0.10 0.27 -0.62 -0.31 0.00 0.00 175.10 174.54 3h3b s ASP 207 N -0.70 5.60 0.36 4.85 -1.08 0.83 -4.97 116.67 121.56 3h3b s ASP 207 Ca 0.02 -1.62 0.08 0.00 -0.52 0.00 0.00 52.55 50.51 3h3b s ASP 207 Cb -0.06 -1.97 0.69 0.00 -1.46 0.00 0.00 42.92 40.12 3h3b s ASP 207 CO 0.00 -0.56 1.86 0.74 0.52 0.00 0.00 175.17 177.73 3h3b h THR 208 N 6.12 1.21 0.00 1.71 2.02 -1.86 -1.50 112.91 120.61 3h3b h THR 208 Ca -0.22 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3h3b h THR 208 Cb 1.08 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3h3b h THR 208 CO 0.77 0.30 -0.16 0.77 0.37 0.00 0.00 175.52 177.56 3h3b h SER 209 N 0.25 0.00 -0.08 4.18 4.64 -1.96 -3.24 113.55 117.34 3h3b h SER 209 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h3b h SER 209 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3h3b h SER 209 CO 0.03 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 174.61 3h3b n SER 210 N -3.21 2.02 -3.90 4.97 3.41 -1.13 -5.01 113.62 110.77 3h3b n SER 210 Ca 0.02 -1.79 -0.27 0.00 -0.26 0.00 0.00 58.87 56.57 3h3b n SER 210 Cb 0.49 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3h3b n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h3b n SER 211 N -0.12 -2.26 -4.12 4.04 7.64 -0.62 -4.76 113.62 113.41 3h3b n SER 211 Ca 0.03 -0.88 -0.25 0.00 1.01 0.00 0.00 58.87 58.77 3h3b n SER 211 Cb 0.25 -3.56 -0.16 0.00 -1.01 0.00 0.00 64.21 59.72 3h3b n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h3b s THR 212 N -3.59 1.36 0.02 0.44 2.01 -0.84 -0.77 115.64 114.27 3h3b s THR 212 Ca 0.29 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.65 3h3b s THR 212 Cb -0.15 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3h3b s THR 212 CO 0.85 0.39 -0.02 0.00 -0.69 0.00 0.00 174.62 175.16 3h3b s ALA 213 N 0.08 3.22 0.12 7.40 0.00 0.19 -0.12 121.76 132.65 3h3b s ALA 213 Ca -0.04 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 50.98 3h3b s ALA 213 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3h3b s ALA 213 CO 0.02 0.65 -0.18 -0.06 0.00 0.00 0.00 175.76 176.20 3h3b s PHE 214 N -1.12 1.63 -0.07 0.00 0.40 0.11 0.68 117.98 119.61 3h3b s PHE 214 Ca 0.20 -0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3h3b s PHE 214 Cb -0.11 -0.86 0.03 0.00 0.51 0.00 0.00 43.02 42.58 3h3b s PHE 214 CO 0.11 0.21 -0.01 1.41 0.70 0.00 0.00 175.22 177.64 3h3b s MET 215 N -2.34 0.71 -0.22 0.44 1.75 -0.47 -2.26 119.30 116.92 3h3b s MET 215 Ca 0.09 0.05 -0.12 0.00 -1.25 0.00 0.00 55.69 54.46 3h3b s MET 215 Cb -0.07 -1.00 -0.05 0.00 2.84 0.00 0.00 34.83 36.55 3h3b s MET 215 CO 0.04 -0.27 0.21 -1.14 -0.65 0.00 0.00 175.02 173.21 3h3b s GLN 216 N 1.81 4.13 -0.26 4.11 0.74 -0.25 -1.22 119.66 128.73 3h3b s GLN 216 Ca 0.03 -0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.24 3h3b s GLN 216 Cb -0.13 -3.50 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 3h3b s GLN 216 CO -0.05 0.11 0.05 -0.51 -0.55 0.00 0.00 175.29 174.34 3h3b s LEU 217 N 0.89 3.47 0.29 3.68 1.43 0.33 -1.67 118.68 127.10 3h3b s LEU 217 Ca 0.11 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3h3b s LEU 217 Cb -0.13 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3h3b s LEU 217 CO 0.04 -0.09 0.15 0.54 0.23 0.00 0.00 176.35 177.22 3h3b s ASN 218 N 1.55 5.03 -1.31 2.29 4.22 -0.96 -0.67 114.94 125.09 3h3b s ASN 218 Ca 0.05 -0.52 -0.00 0.00 -2.14 0.00 0.00 52.86 50.24 3h3b s ASN 218 Cb -0.16 -1.01 0.00 0.00 1.28 0.00 0.00 41.25 41.36 3h3b s ASN 218 CO 0.02 -0.15 0.71 -1.20 -2.04 0.00 0.00 177.10 174.43 3h3b n SER 219 N -1.14 -1.20 -4.77 3.54 7.64 -1.00 -4.86 113.62 111.82 3h3b n SER 219 Ca -0.05 -0.81 -0.41 0.00 1.01 0.00 0.00 58.87 58.60 3h3b n SER 219 Cb 0.59 -4.08 -0.00 0.00 -1.01 0.00 0.00 64.21 59.71 3h3b n SER 219 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3h3b n LEU 220 N -4.27 4.78 -4.51 -3.43 7.99 -0.54 -4.57 117.00 112.44 3h3b n LEU 220 Ca -0.30 1.22 -0.24 0.00 -0.01 0.00 0.00 56.01 56.68 3h3b n LEU 220 Cb 0.68 -1.62 -0.10 0.00 -0.11 0.00 0.00 43.42 42.27 3h3b n LEU 220 CO 0.68 0.19 -0.25 0.42 -1.51 0.00 0.00 177.39 176.93 3h3b s THR 221 N -0.95 1.06 0.60 -5.08 -4.23 -1.26 -0.13 115.64 105.64 3h3b s THR 221 Ca 0.55 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.36 3h3b s THR 221 Cb -0.47 -2.60 0.36 0.00 1.34 0.00 0.00 72.50 71.12 3h3b s THR 221 CO 0.62 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.62 3h3b h SER 222 N 1.91 0.00 0.96 3.99 4.64 -1.85 -1.18 113.55 122.01 3h3b h SER 222 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3h3b h SER 222 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3h3b h SER 222 CO 0.67 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.01 3h3b n GLU 223 N -3.72 0.10 0.00 4.77 -0.58 -1.26 -2.33 120.64 117.62 3h3b n GLU 223 Ca -0.00 0.18 0.14 0.00 -0.42 0.00 0.00 57.16 57.06 3h3b n GLU 223 Cb 0.25 -1.64 0.48 0.00 -0.57 0.00 0.00 31.44 29.95 3h3b n GLU 223 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3h3b n ASP 224 N -1.82 1.27 -4.66 1.62 10.43 -0.45 -4.88 116.55 118.07 3h3b n ASP 224 Ca 0.05 -1.24 -0.42 0.00 2.57 0.00 0.00 54.79 55.75 3h3b n ASP 224 Cb 0.30 0.05 -0.03 0.00 1.84 0.00 0.00 41.12 43.29 3h3b n ASP 224 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3h3b s SER 225 N -2.20 6.65 -0.07 -2.24 0.01 -0.98 -4.88 113.70 109.98 3h3b s SER 225 Ca 0.33 2.29 -0.31 0.00 1.31 0.00 0.00 55.95 59.57 3h3b s SER 225 Cb 0.20 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 64.02 3h3b s SER 225 CO 0.41 -0.93 1.37 0.00 0.41 0.00 0.00 173.24 174.50 3h3b s ALA 226 N 3.93 -2.50 -0.14 1.44 0.00 -0.45 -4.94 121.76 119.10 3h3b s ALA 226 Ca 0.75 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 3h3b s ALA 226 Cb -0.35 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3h3b s ALA 226 CO 0.31 -1.10 0.36 0.08 0.00 0.00 0.00 175.76 175.41 3h3b s VAL 227 N -2.11 5.26 -0.11 0.00 1.01 -0.89 -0.81 120.40 122.76 3h3b s VAL 227 Ca 0.20 0.70 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 3h3b s VAL 227 Cb 0.05 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3h3b s VAL 227 CO -0.05 0.37 -0.09 -0.31 0.00 0.00 0.00 175.10 175.03 3h3b s TYR 228 N 0.50 2.89 0.01 5.22 1.51 0.49 -1.24 117.35 126.73 3h3b s TYR 228 Ca 0.20 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 3h3b s TYR 228 Cb -0.14 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 3h3b s TYR 228 CO 0.06 0.07 -0.22 0.71 -1.11 0.00 0.00 175.55 175.06 3h3b s TYR 229 N -0.17 2.46 -0.08 2.71 1.51 0.30 -0.48 117.35 123.61 3h3b s TYR 229 Ca 0.01 -0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 3h3b s TYR 229 Cb -0.13 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 3h3b s TYR 229 CO 0.03 0.12 0.18 0.00 -1.11 0.00 0.00 175.55 174.77 3h3b s VAL 231 N -1.11 0.00 0.16 0.00 1.01 0.23 -1.01 120.40 119.69 3h3b s VAL 231 Ca 0.19 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3h3b s VAL 231 Cb -0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 36.38 36.06 3h3b s VAL 231 CO 0.08 0.09 0.78 -0.60 0.00 0.00 0.00 175.10 175.46 3h3b s ARG 232 N 0.90 4.58 0.04 2.72 3.52 -0.11 0.42 118.95 131.02 3h3b s ARG 232 Ca -0.08 1.17 -0.02 0.00 -0.13 0.00 0.00 55.73 56.67 3h3b s ARG 232 Cb -0.11 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 3h3b s ARG 232 CO -0.02 0.56 -0.00 -1.54 -0.81 0.00 0.00 175.30 173.48 3h3b s SER 233 N -1.10 0.36 0.00 -2.12 1.04 -1.01 -0.56 113.70 110.31 3h3b s SER 233 Ca 0.36 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3h3b s SER 233 Cb -0.23 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3h3b s SER 233 CO 0.26 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3h3b n GLY 234 N 0.59 5.32 3.70 7.32 0.00 -0.07 -0.43 105.19 121.62 3h3b n GLY 234 Ca -0.17 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 3h3b n GLY 234 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3b s ASN 235 N 1.00 4.37 0.70 1.61 0.01 -1.25 -4.12 114.94 117.25 3h3b s ASN 235 Ca 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 3h3b s ASN 235 Cb 0.00 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.13 3h3b s ASN 235 CO 0.00 -0.42 0.00 -1.22 -1.51 0.00 0.00 177.10 173.95 3h3b n TYR 236 N -1.13 0.00 0.30 2.20 4.01 -1.26 -1.06 117.16 120.22 3h3b n TYR 236 Ca -0.02 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.90 3h3b n TYR 236 Cb 0.64 0.01 1.00 0.00 -0.31 0.00 0.00 39.34 40.67 3h3b n TYR 236 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3h3b h GLU 237 N 0.00 0.00 -0.69 -0.72 4.39 -2.03 -1.04 114.58 114.49 3h3b h GLU 237 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3h3b h GLU 237 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3h3b h GLU 237 CO 0.00 0.00 0.08 0.39 -1.16 0.00 0.00 179.01 178.32 3h3b n GLU 238 N -2.87 4.05 -0.30 2.33 1.02 -0.23 -4.67 120.64 119.97 3h3b n GLU 238 Ca -0.02 -2.69 0.09 0.00 -0.02 0.00 0.00 57.16 54.51 3h3b n GLU 238 Cb 0.15 -2.14 0.30 0.00 -0.02 0.00 0.00 31.44 29.73 3h3b n GLU 238 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3h3b h TYR 239 N 3.08 0.97 -4.33 -0.32 5.03 -1.13 -0.16 116.97 120.11 3h3b h TYR 239 Ca 0.08 0.03 -0.51 0.00 2.58 0.00 0.00 58.73 60.90 3h3b h TYR 239 Cb 1.89 -0.31 0.10 0.00 1.55 0.00 0.00 36.73 39.96 3h3b h TYR 239 CO 1.00 0.40 0.37 0.00 -1.32 0.00 0.00 178.16 178.62 3h3b s ALA 240 N -5.82 2.67 0.08 1.82 0.00 -1.26 -3.94 121.76 115.32 3h3b s ALA 240 Ca -0.11 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 3h3b s ALA 240 Cb 0.22 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 3h3b s ALA 240 CO 0.80 -1.23 1.67 -1.64 0.00 0.00 0.00 175.76 175.36 3h3b s MET 241 N -5.02 4.19 -0.00 0.00 -1.94 -1.26 -4.12 119.30 111.15 3h3b s MET 241 Ca 0.58 2.37 -0.06 0.00 -1.71 0.00 0.00 55.69 56.87 3h3b s MET 241 Cb -0.14 -3.57 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 3h3b s MET 241 CO 0.55 -0.74 -0.12 -0.40 -0.01 0.00 0.00 175.02 174.30 3h3b n ASP 242 N 5.52 1.28 -4.57 3.03 5.68 0.28 -4.79 116.55 122.97 3h3b n ASP 242 Ca 0.16 0.19 -0.37 0.00 -0.50 0.00 0.00 54.79 54.27 3h3b n ASP 242 Cb 0.40 -0.46 -0.11 0.00 -1.14 0.00 0.00 41.12 39.81 3h3b n ASP 242 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3h3b s TYR 243 N -2.20 3.21 0.07 2.11 1.51 -1.24 -3.93 117.35 116.88 3h3b s TYR 243 Ca -0.10 0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3h3b s TYR 243 Cb 0.01 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 3h3b s TYR 243 CO 0.14 -0.15 0.31 -1.58 -1.11 0.00 0.00 175.55 173.16 3h3b s TRP 244 N 1.52 3.53 1.09 2.71 0.52 -1.26 -0.93 118.94 126.12 3h3b s TRP 244 Ca 0.07 0.52 -0.17 0.00 0.02 0.00 0.00 56.10 56.54 3h3b s TRP 244 Cb -0.15 -1.97 0.24 0.00 -1.15 0.00 0.00 33.47 30.44 3h3b s TRP 244 CO 0.08 0.53 1.18 0.20 0.02 0.00 0.00 176.95 178.96 3h3b s GLY 245 N -2.12 1.64 0.29 0.98 0.00 -0.18 -4.60 107.32 103.33 3h3b s GLY 245 Ca 0.34 -0.96 0.26 0.00 0.00 0.00 0.00 44.72 44.35 3h3b s GLY 245 CO 0.22 -0.16 1.76 0.06 0.00 0.00 0.00 173.10 174.97 3h3b h GLN 246 N -2.14 0.00 0.00 2.90 -0.00 -1.90 -3.45 115.11 110.51 3h3b h GLN 246 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3h3b h GLN 246 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3h3b h GLN 246 CO 0.39 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.63 3h3b n GLY 247 N 0.67 1.35 3.10 0.06 0.00 -1.26 -4.69 105.19 104.43 3h3b n GLY 247 Ca 0.04 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 3h3b n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3b s THR 248 N -2.14 1.90 -0.12 2.61 2.01 0.37 -4.90 115.64 115.37 3h3b s THR 248 Ca 0.00 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 3h3b s THR 248 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 3h3b s THR 248 CO 0.00 0.51 0.99 -0.55 -0.69 0.00 0.00 174.62 174.88 3h3b s SER 249 N 1.18 7.20 -0.20 3.53 0.15 -1.26 -0.38 113.70 123.92 3h3b s SER 249 Ca 0.01 1.48 0.02 0.00 0.70 0.00 0.00 55.95 58.15 3h3b s SER 249 Cb -0.14 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3h3b s SER 249 CO -0.08 -0.45 -0.17 -0.69 1.20 0.00 0.00 173.24 173.04 3h3b s VAL 250 N 2.09 2.08 -0.12 4.45 1.01 0.01 0.18 120.40 130.10 3h3b s VAL 250 Ca 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3h3b s VAL 250 Cb -0.18 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3h3b s VAL 250 CO 0.16 0.38 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 3h3b s THR 251 N 1.24 3.02 -0.19 3.92 2.01 0.71 -1.34 115.64 125.01 3h3b s THR 251 Ca 0.01 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 3h3b s THR 251 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.11 3h3b s THR 251 CO -0.11 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 3h3b s VAL 252 N 0.25 2.65 -1.75 3.82 1.01 -1.26 -0.71 120.40 124.42 3h3b s VAL 252 Ca -0.09 -0.74 0.14 0.00 0.00 0.00 0.00 61.98 61.29 3h3b s VAL 252 Cb -0.16 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.18 3h3b s VAL 252 CO 0.05 0.49 0.94 -1.54 0.00 0.00 0.00 175.10 175.05