#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 2.26 -1.63 -1.09 -0.04 -1.26 -5.05 135.00 128.19 3h3b n PRO -1 Ca 0.00 -2.98 -0.39 0.00 -0.04 0.00 0.00 63.50 60.09 3h3b n PRO -1 Cb 0.00 -2.17 0.04 0.00 -0.04 0.00 0.00 33.50 31.33 3h3b n PRO -1 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3b n ALA 0 N -1.10 0.39 -1.78 0.55 0.00 -1.26 -4.89 120.51 112.42 3h3b n ALA 0 Ca 0.59 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.71 3h3b n ALA 0 Cb 1.58 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3h3b n ALA 0 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h3b s ASP 1 N -1.03 6.41 -0.06 0.00 1.01 -1.26 -4.96 116.67 116.77 3h3b s ASP 1 Ca 0.71 2.91 -0.25 0.00 0.71 0.00 0.00 52.55 56.63 3h3b s ASP 1 Cb -0.46 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 40.81 3h3b s ASP 1 CO 0.51 -0.89 0.75 -0.63 0.21 0.00 0.00 175.17 175.12 3h3b s ILE 2 N 0.03 5.01 -0.20 0.77 1.01 -1.26 -5.00 121.20 121.56 3h3b s ILE 2 Ca 0.63 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.76 3h3b s ILE 2 Cb -0.47 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 3h3b s ILE 2 CO 0.47 0.22 0.06 -0.69 0.00 0.00 0.00 174.94 175.00 3h3b s VAL 3 N 0.94 4.58 -0.25 2.92 1.01 -1.26 -4.80 120.40 123.54 3h3b s VAL 3 Ca 0.40 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 3h3b s VAL 3 Cb -0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3h3b s VAL 3 CO 0.19 0.42 0.06 -0.76 0.00 0.00 0.00 175.10 175.01 3h3b s LEU 4 N 0.78 3.41 -0.31 3.92 1.43 -1.26 -1.72 118.68 124.93 3h3b s LEU 4 Ca 0.03 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3h3b s LEU 4 Cb -0.14 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3h3b s LEU 4 CO 0.02 -0.04 0.14 -0.89 0.23 0.00 0.00 176.35 175.82 3h3b s THR 5 N 1.60 4.51 -0.13 5.49 2.01 0.88 -3.96 115.64 126.04 3h3b s THR 5 Ca 0.06 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 3h3b s THR 5 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3h3b s THR 5 CO 0.03 0.06 0.06 -1.10 -0.69 0.00 0.00 174.62 172.98 3h3b s GLN 6 N 1.60 3.47 -0.02 4.92 -0.21 -1.26 -0.87 119.66 127.29 3h3b s GLN 6 Ca 0.04 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 3h3b s GLN 6 Cb -0.17 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.80 3h3b s GLN 6 CO 0.06 0.57 0.04 0.99 -2.12 0.00 0.00 175.29 174.84 3h3b s THR 7 N -0.48 -0.03 0.57 -0.19 2.01 -0.37 -4.20 115.64 112.94 3h3b s THR 7 Ca 0.10 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 3h3b s THR 7 Cb -0.12 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3h3b s THR 7 CO 0.02 0.05 0.94 -2.16 -0.69 0.00 0.00 174.62 172.78 3h3b s PRO 8 N 0.67 3.60 0.47 4.92 0.04 -1.26 0.34 135.00 143.78 3h3b s PRO 8 Ca -0.05 0.57 0.27 0.00 0.04 0.00 0.00 61.00 61.82 3h3b s PRO 8 Cb -0.08 -2.19 0.91 0.00 0.04 0.00 0.00 34.50 33.19 3h3b s PRO 8 CO -0.02 -0.43 1.81 0.66 0.04 0.00 0.00 177.00 179.06 3h3b h SER 9 N -0.06 0.00 -3.72 6.66 4.64 -1.78 -3.40 113.55 115.90 3h3b h SER 9 Ca -0.45 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.64 3h3b h SER 9 Cb 1.19 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.00 3h3b h SER 9 CO 0.62 0.13 -0.66 -0.55 -0.87 0.00 0.00 176.83 175.49 3h3b s SER 10 N -6.04 -0.05 -0.29 4.97 0.15 -1.26 -1.43 113.70 109.76 3h3b s SER 10 Ca 0.02 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.75 3h3b s SER 10 Cb 0.09 0.09 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 3h3b s SER 10 CO 0.62 -0.03 0.10 -0.22 1.20 0.00 0.00 173.24 174.91 3h3b s LEU 11 N 0.16 1.41 0.17 3.45 0.20 0.11 -4.88 118.68 119.30 3h3b s LEU 11 Ca -0.01 -1.40 -0.32 0.00 0.69 0.00 0.00 54.13 53.10 3h3b s LEU 11 Cb -0.02 -0.62 -0.11 0.00 -0.43 0.00 0.00 46.19 45.02 3h3b s LEU 11 CO -0.00 -0.41 1.63 -2.16 -0.29 0.00 0.00 176.35 175.11 3h3b s PRO 12 N 1.85 4.18 0.11 0.98 0.04 -1.26 -2.55 135.00 138.35 3h3b s PRO 12 Ca 0.08 2.44 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3h3b s PRO 12 Cb -0.17 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3h3b s PRO 12 CO -0.28 -0.66 -0.08 0.14 0.04 0.00 0.00 177.00 176.16 3h3b s VAL 13 N 1.27 0.84 0.22 -0.36 -7.23 0.19 -4.92 120.40 110.41 3h3b s VAL 13 Ca 0.72 -1.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 3h3b s VAL 13 Cb -0.45 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3h3b s VAL 13 CO 0.32 -0.78 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.77 3h3b s SER 14 N -2.95 4.07 0.26 4.85 0.01 -1.26 -4.12 113.70 114.56 3h3b s SER 14 Ca 0.12 -0.72 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 3h3b s SER 14 Cb 0.03 -0.60 -0.12 0.00 0.21 0.00 0.00 66.02 65.54 3h3b s SER 14 CO -0.03 0.07 1.62 0.52 0.41 0.00 0.00 173.24 175.83 3h3b n VAL 15 N -0.26 0.72 -0.07 3.43 0.31 -1.26 -2.65 118.33 118.55 3h3b n VAL 15 Ca -0.09 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3h3b n VAL 15 Cb 0.57 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3h3b n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h3b n GLY 16 N 2.67 0.65 3.79 2.92 0.00 -0.04 -4.94 105.19 110.23 3h3b n GLY 16 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3h3b n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3b s GLU 17 N -0.78 4.49 0.01 1.61 2.02 -1.09 -4.45 118.70 120.51 3h3b s GLU 17 Ca 0.00 1.26 -0.26 0.00 0.02 0.00 0.00 54.97 55.99 3h3b s GLU 17 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 3h3b s GLU 17 CO 0.00 0.21 0.81 0.21 0.02 0.00 0.00 175.26 176.50 3h3b s LYS 18 N -2.32 4.51 0.02 1.61 2.20 -1.23 -1.38 119.74 123.14 3h3b s LYS 18 Ca 0.53 1.11 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 3h3b s LYS 18 Cb -0.16 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3h3b s LYS 18 CO 0.21 0.14 -0.12 0.54 -0.36 0.00 0.00 175.35 175.76 3h3b s VAL 19 N 0.44 0.94 -0.08 4.02 0.11 -0.65 -5.00 120.40 120.19 3h3b s VAL 19 Ca 0.42 -0.82 -0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3h3b s VAL 19 Cb -0.20 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3h3b s VAL 19 CO 0.23 0.03 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.10 3h3b s THR 20 N -0.71 0.72 -0.01 5.04 2.01 -1.26 -1.05 115.64 120.39 3h3b s THR 20 Ca 0.01 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.93 3h3b s THR 20 Cb -0.07 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 3h3b s THR 20 CO 0.01 0.30 -0.17 0.00 -0.69 0.00 0.00 174.62 174.06 3h3b s MET 21 N 1.51 2.27 -0.08 4.92 0.23 0.01 -4.76 119.30 123.41 3h3b s MET 21 Ca -0.01 -0.84 -0.01 0.00 -1.03 0.00 0.00 55.69 53.80 3h3b s MET 21 Cb -0.13 -2.25 -0.03 0.00 -1.53 0.00 0.00 34.83 30.88 3h3b s MET 21 CO -0.04 0.58 -0.01 0.99 -2.03 0.00 0.00 175.02 174.51 3h3b s THR 22 N -0.79 4.22 -0.16 3.16 2.01 0.15 -0.70 115.64 123.53 3h3b s THR 22 Ca 0.13 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 3h3b s THR 22 Cb -0.10 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.67 3h3b s THR 22 CO 0.02 0.59 -0.03 0.00 -0.69 0.00 0.00 174.62 174.51 3h3b s LYS 24 N 1.70 3.17 -0.02 0.00 1.02 -0.05 -1.30 119.74 124.26 3h3b s LYS 24 Ca 0.01 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3h3b s LYS 24 Cb -0.15 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3h3b s LYS 24 CO -0.07 0.35 0.03 0.45 -0.92 0.00 0.00 175.35 175.19 3h3b s SER 25 N -0.00 5.35 0.24 2.83 0.15 0.50 -0.09 113.70 122.70 3h3b s SER 25 Ca -0.03 0.08 0.25 0.00 0.70 0.00 0.00 55.95 56.96 3h3b s SER 25 Cb -0.14 -1.48 0.88 0.00 -1.71 0.00 0.00 66.02 63.58 3h3b s SER 25 CO 0.04 0.30 1.75 0.77 1.20 0.00 0.00 173.24 177.30 3h3b h SER 26 N 4.43 0.00 -4.75 5.45 4.64 -1.66 -3.45 113.55 118.21 3h3b h SER 26 Ca -0.50 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.56 3h3b h SER 26 Cb 1.18 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3h3b h SER 26 CO 0.58 0.00 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.71 3h3b s GLN 27 N -3.20 0.49 0.36 4.77 -0.21 -1.26 -4.97 119.66 115.63 3h3b s GLN 27 Ca 0.08 -0.71 -0.28 0.00 0.02 0.00 0.00 55.36 54.46 3h3b s GLN 27 Cb 0.11 -0.25 -0.11 0.00 1.00 0.00 0.00 33.01 33.76 3h3b s GLN 27 CO 0.52 0.04 1.49 -0.08 -2.12 0.00 0.00 175.29 175.14 3h3b s THR 28 N -1.32 2.11 -2.20 -0.19 -1.32 -1.26 -4.64 115.64 106.83 3h3b s THR 28 Ca -0.10 0.11 0.18 0.00 -1.21 0.00 0.00 61.69 60.67 3h3b s THR 28 Cb -0.10 -3.07 0.15 0.00 -1.51 0.00 0.00 72.50 67.97 3h3b s THR 28 CO 0.00 0.02 1.07 0.18 -2.21 0.00 0.00 174.62 173.68 3h3b n LEU 29 N 0.83 2.49 -4.68 9.08 4.77 0.26 -4.95 117.00 124.81 3h3b n LEU 29 Ca 0.02 -1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 3h3b n LEU 29 Cb 0.39 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3h3b n LEU 29 CO 0.63 0.44 0.90 -0.22 -1.33 0.00 0.00 177.39 177.81 3h3b s LEU 30 N -1.46 4.23 -0.26 2.23 2.96 -1.26 -1.29 118.68 123.82 3h3b s LEU 30 Ca 0.21 1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 55.59 3h3b s LEU 30 Cb 0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3h3b s LEU 30 CO 0.22 -0.56 0.37 -0.47 -1.32 0.00 0.00 176.35 174.59 3h3b s TYR 31 N 2.43 3.26 0.03 5.38 5.04 -0.08 -4.97 117.35 128.44 3h3b s TYR 31 Ca 0.51 0.42 0.28 0.00 -2.44 0.00 0.00 57.07 55.84 3h3b s TYR 31 Cb -0.20 -2.56 1.02 0.00 0.35 0.00 0.00 41.96 40.57 3h3b s TYR 31 CO 0.17 -0.21 1.86 0.66 -1.34 0.00 0.00 175.55 176.69 3h3b h SER 32 N 8.10 0.00 -0.25 4.32 4.64 -1.95 0.22 113.55 128.62 3h3b h SER 32 Ca -0.32 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.86 3h3b h SER 32 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3h3b h SER 32 CO 0.65 0.10 -0.36 0.78 -0.87 0.00 0.00 176.83 177.13 3h3b h ASN 33 N 0.00 0.82 0.00 4.97 2.35 -1.97 -3.34 115.58 118.41 3h3b h ASN 33 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3h3b h ASN 33 Cb 0.69 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3h3b h ASN 33 CO 0.01 1.09 0.00 -0.46 -1.65 0.00 0.00 177.43 176.43 3h3b n ASN 34 N -4.06 1.30 -2.80 5.81 0.23 -1.15 -5.01 115.26 109.59 3h3b n ASN 34 Ca -0.01 -1.32 -0.18 0.00 -0.53 0.00 0.00 54.58 52.54 3h3b n ASN 34 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 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 -0.16 -2.92 -4.09 -3.83 1.13 0.75 -4.97 117.38 103.30 3h3b n GLN 35 Ca 0.00 0.63 -0.35 0.00 -1.94 0.00 0.00 57.00 55.34 3h3b n GLN 35 Cb 0.09 -5.30 -0.07 0.00 0.11 0.00 0.00 30.24 25.06 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 -5.42 3.22 -0.27 -1.09 1.02 -1.21 -4.87 119.74 111.12 3h3b s LYS 36 Ca 0.16 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 3h3b s LYS 36 Cb -0.08 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 3h3b s LYS 36 CO 0.20 0.73 0.40 -0.80 -0.92 0.00 0.00 175.35 174.95 3h3b s ASN 37 N -1.15 6.29 -1.46 2.83 0.01 -1.26 -0.90 114.94 119.30 3h3b s ASN 37 Ca 0.16 0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 52.56 3h3b s ASN 37 Cb -0.12 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.35 3h3b s ASN 37 CO 0.06 -0.20 2.55 -1.22 -1.51 0.00 0.00 177.10 176.78 3h3b n TYR 38 N 5.37 2.66 -4.43 2.20 4.02 -0.41 -3.30 117.16 123.27 3h3b n TYR 38 Ca -0.08 -2.95 -0.21 0.00 -0.01 0.00 0.00 57.90 54.66 3h3b n TYR 38 Cb 0.51 -2.19 -0.16 0.00 -0.02 0.00 0.00 39.34 37.48 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 -0.53 1.78 0.14 7.72 1.98 -1.26 -1.94 118.68 126.57 3h3b s LEU 39 Ca 0.58 -0.20 0.07 0.00 -2.89 0.00 0.00 54.13 51.68 3h3b s LEU 39 Cb 0.17 -0.59 -0.04 0.00 0.66 0.00 0.00 46.19 46.39 3h3b s LEU 39 CO -0.07 0.07 -0.15 0.00 -1.89 0.00 0.00 176.35 174.31 3h3b s ALA 40 N 0.21 1.65 -0.03 5.97 0.00 0.60 -1.43 121.76 128.73 3h3b s ALA 40 Ca -0.04 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.59 3h3b s ALA 40 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3h3b s ALA 40 CO 0.01 0.12 -0.15 -1.58 0.00 0.00 0.00 175.76 174.15 3h3b s TRP 41 N -2.25 2.66 0.03 0.00 0.52 0.61 -0.12 118.94 120.40 3h3b s TRP 41 Ca 0.12 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.11 3h3b s TRP 41 Cb -0.04 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3h3b s TRP 41 CO 0.04 0.20 -0.17 0.71 0.02 0.00 0.00 176.95 177.74 3h3b s TYR 42 N -0.78 1.50 -0.14 -1.98 2.02 0.13 -2.07 117.35 116.04 3h3b s TYR 42 Ca 0.12 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3h3b s TYR 42 Cb -0.11 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 3h3b s TYR 42 CO 0.02 0.05 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.76 3h3b s GLN 43 N -1.05 3.27 -0.28 -0.62 0.74 -0.49 -0.73 119.66 120.51 3h3b s GLN 43 Ca 0.05 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.75 3h3b s GLN 43 Cb -0.08 -2.61 0.07 0.00 1.10 0.00 0.00 33.01 31.50 3h3b s GLN 43 CO 0.01 0.10 -0.04 -1.14 -0.55 0.00 0.00 175.29 173.67 3h3b s GLN 44 N 0.62 1.75 0.48 1.67 0.74 -0.59 -0.52 119.66 123.81 3h3b s GLN 44 Ca -0.08 -1.37 -0.19 0.00 0.05 0.00 0.00 55.36 53.77 3h3b s GLN 44 Cb -0.16 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 31.04 3h3b s GLN 44 CO 0.03 -0.71 0.99 0.15 -0.55 0.00 0.00 175.29 175.20 3h3b s LYS 45 N 1.17 3.97 0.04 1.67 1.02 -1.26 -2.30 119.74 124.04 3h3b s LYS 45 Ca -0.01 1.13 -0.34 0.00 0.02 0.00 0.00 55.97 56.77 3h3b s LYS 45 Cb -0.19 -2.14 -0.12 0.00 -0.52 0.00 0.00 37.83 34.86 3h3b s LYS 45 CO -0.08 -0.26 1.75 -2.30 -0.92 0.00 0.00 175.35 173.55 3h3b n PRO 46 N -1.12 2.26 -0.22 -1.68 -0.02 -1.26 -1.56 135.00 131.40 3h3b n PRO 46 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3h3b n PRO 46 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.98 1.35 3.56 -1.23 0.00 -1.26 -5.04 105.19 106.56 3h3b n GLY 47 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.43 2.02 0.50 1.61 -0.21 -0.60 -5.13 119.66 117.41 3h3b s GLN 48 Ca 0.00 -1.38 -0.20 0.00 0.02 0.00 0.00 55.36 53.80 3h3b s GLN 48 Cb 0.00 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 3h3b s GLN 48 CO 0.00 0.40 1.04 -1.54 -2.12 0.00 0.00 175.29 173.07 3h3b s SER 49 N -3.08 6.30 0.59 5.90 1.04 -1.26 -4.48 113.70 118.71 3h3b s SER 49 Ca 0.26 1.90 -0.20 0.00 0.48 0.00 0.00 55.95 58.39 3h3b s SER 49 Cb -0.08 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 3h3b s SER 49 CO 0.16 -0.81 1.27 -2.65 0.98 0.00 0.00 173.24 172.18 3h3b n PRO 50 N -1.11 1.34 -4.64 4.02 -0.02 -1.26 -4.69 135.00 128.64 3h3b n PRO 50 Ca 0.09 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 3h3b n PRO 50 Cb 0.53 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 3h3b n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h3b s LYS 51 N -3.04 1.14 0.14 -0.52 1.02 0.32 -4.50 119.74 114.30 3h3b s LYS 51 Ca 0.77 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.95 3h3b s LYS 51 Cb -0.41 -1.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.72 3h3b s LYS 51 CO 0.45 0.29 1.44 -1.17 -0.92 0.00 0.00 175.35 175.45 3h3b s LEU 52 N -0.30 4.37 -0.20 3.17 2.96 -1.26 -1.39 118.68 126.03 3h3b s LEU 52 Ca 0.05 2.43 -0.12 0.00 -0.22 0.00 0.00 54.13 56.26 3h3b s LEU 52 Cb -0.06 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 3h3b s LEU 52 CO -0.00 -0.70 -0.29 0.18 -1.32 0.00 0.00 176.35 174.21 3h3b n LEU 53 N 3.85 1.65 -3.80 -0.68 4.77 -0.88 -4.70 117.00 117.21 3h3b n LEU 53 Ca 0.12 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3h3b n LEU 53 Cb 0.41 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 3h3b n LEU 53 CO 0.59 0.24 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.96 3h3b s ILE 54 N -2.51 -0.03 0.33 -0.08 1.01 -1.20 -0.32 121.20 118.41 3h3b s ILE 54 Ca -0.30 0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.57 3h3b s ILE 54 Cb 0.10 -0.11 -0.06 0.00 0.01 0.00 0.00 42.46 42.39 3h3b s ILE 54 CO 0.39 0.05 -0.12 -0.94 0.00 0.00 0.00 174.94 174.32 3h3b s SER 55 N 0.62 3.71 -0.76 3.58 1.04 0.65 -0.28 113.70 122.26 3h3b s SER 55 Ca -0.05 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.22 3h3b s SER 55 Cb -0.07 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.71 3h3b s SER 55 CO -0.02 -0.16 0.00 0.79 0.98 0.00 0.00 173.24 174.84 3h3b n TRP 56 N -0.76 -0.43 0.00 5.02 5.03 -0.82 -0.87 117.44 124.61 3h3b n TRP 56 Ca -0.05 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.48 3h3b n TRP 56 Cb 0.63 -2.27 0.00 0.00 -1.03 0.00 0.00 31.31 28.64 3h3b n TRP 56 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3h3b n ALA 57 N -1.45 0.00 -1.08 6.99 0.00 -0.51 -4.20 120.51 120.27 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 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.09 0.00 1.16 -1.20 -3.80 117.46 110.54 3h3b n PHE 58 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 3h3b n PHE 58 Cb 0.00 0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 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 4.83 0.37 1.97 2.01 -0.05 -4.68 115.64 120.09 3h3b s THR 59 Ca 0.00 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 3h3b s THR 59 Cb 0.00 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 3h3b s THR 59 CO 0.00 -0.48 1.09 -0.13 -0.69 0.00 0.00 174.62 174.41 3h3b s ARG 60 N 2.84 4.26 0.55 4.92 0.52 -1.26 -0.25 118.95 130.53 3h3b s ARG 60 Ca 0.25 1.66 -0.20 0.00 -0.52 0.00 0.00 55.73 56.92 3h3b s ARG 60 Cb -0.14 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 3h3b s ARG 60 CO 0.17 -0.09 1.18 0.21 0.02 0.00 0.00 175.30 176.80 3h3b s LYS 61 N -2.18 3.26 0.04 3.54 2.20 0.56 -4.89 119.74 122.27 3h3b s LYS 61 Ca 0.54 1.77 -0.35 0.00 -0.36 0.00 0.00 55.97 57.58 3h3b s LYS 61 Cb -0.27 -2.06 -0.14 0.00 -1.51 0.00 0.00 37.83 33.86 3h3b s LYS 61 CO 0.34 -0.97 1.67 0.45 -0.36 0.00 0.00 175.35 176.48 3h3b n SER 62 N -1.26 3.02 0.00 1.43 2.88 -1.26 -1.92 113.62 116.51 3h3b n SER 62 Ca 0.12 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3h3b n SER 62 Cb 0.49 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 3.70 3.13 3.69 0.46 0.00 -1.26 -5.06 105.19 109.86 3h3b n GLY 63 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.87 3.59 0.32 1.61 1.01 -0.81 -4.96 120.40 118.29 3h3b s VAL 64 Ca 0.00 1.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 3h3b s VAL 64 Cb 0.00 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3h3b s VAL 64 CO 0.00 0.02 1.04 -2.65 0.00 0.00 0.00 175.10 173.51 3h3b n PRO 65 N 5.03 1.46 0.00 2.72 -0.02 -1.26 -4.87 135.00 138.06 3h3b n PRO 65 Ca 0.13 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 3h3b n PRO 65 Cb 0.43 -1.94 0.47 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.06 0.00 0.22 2.55 5.68 -1.26 -2.35 116.55 122.44 3h3b n ASP 66 Ca 0.09 -0.85 0.11 0.00 -0.50 0.00 0.00 54.79 53.63 3h3b n ASP 66 Cb 0.34 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.54 3h3b n ASP 66 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3h3b h ARG 67 N 0.00 0.00 -5.77 0.11 0.11 -1.93 -3.42 114.38 103.48 3h3b h ARG 67 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3h3b h ARG 67 Cb 0.00 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 30.99 3h3b h ARG 67 CO 0.00 0.08 0.42 -0.06 0.10 0.00 0.00 179.97 180.51 3h3b s PHE 68 N -3.24 3.26 -0.11 4.08 0.08 -0.99 -0.89 117.98 120.17 3h3b s PHE 68 Ca 0.06 0.98 -0.00 0.00 0.12 0.00 0.00 56.93 58.09 3h3b s PHE 68 Cb 0.06 -3.11 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 3h3b s PHE 68 CO 0.67 -0.46 -0.09 0.99 -0.10 0.00 0.00 175.22 176.22 3h3b s THR 69 N 2.87 1.10 -0.13 0.64 2.01 0.66 -4.98 115.64 117.81 3h3b s THR 69 Ca 0.33 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 3h3b s THR 69 Cb -0.15 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 3h3b s THR 69 CO 0.10 0.38 0.27 -0.83 -0.69 0.00 0.00 174.62 173.84 3h3b s GLY 70 N 1.58 2.23 0.24 4.40 0.00 -1.26 -0.69 107.32 113.82 3h3b s GLY 70 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 3h3b s GLY 70 CO -0.07 0.20 0.28 -1.35 0.00 0.00 0.00 173.10 172.15 3h3b s SER 71 N -0.09 0.29 0.00 1.64 1.04 -0.61 -4.37 113.70 111.59 3h3b s SER 71 Ca 0.17 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3h3b s SER 71 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3h3b s SER 71 CO 0.05 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3h3b n GLY 72 N -0.36 1.18 3.48 7.32 0.00 -1.26 -1.06 105.19 114.48 3h3b n GLY 72 Ca 0.01 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.61 0.20 1.61 0.15 0.22 -4.93 113.70 110.34 3h3b s SER 73 Ca 0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3h3b s SER 73 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3h3b s SER 73 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 3h3b n GLY 74 N 0.30 1.07 0.00 9.45 0.00 -1.26 -1.97 105.19 112.79 3h3b n GLY 74 Ca -0.18 0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -4.07 2.61 -2.24 -1.26 -0.57 114.28 108.74 3h3b n THR 75 Ca 0.00 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 3h3b n THR 75 Cb 0.00 0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.01 4.56 0.01 3.42 1.01 -0.83 -0.37 116.67 122.46 3h3b s ASP 76 Ca 0.00 -0.28 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 3h3b s ASP 76 Cb 0.03 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 3h3b s ASP 76 CO 0.20 0.04 0.01 -0.36 0.21 0.00 0.00 175.17 175.28 3h3b s PHE 77 N 1.13 0.14 0.06 4.23 0.08 -0.42 -0.61 117.98 122.59 3h3b s PHE 77 Ca 0.02 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.81 3h3b s PHE 77 Cb -0.15 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.17 3h3b s PHE 77 CO 0.00 -0.15 -0.09 0.95 -0.10 0.00 0.00 175.22 175.84 3h3b s THR 78 N -0.98 0.69 -0.13 0.64 -4.23 -0.23 -0.04 115.64 111.35 3h3b s THR 78 Ca -0.11 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 3h3b s THR 78 Cb -0.07 -0.89 0.01 0.00 1.34 0.00 0.00 72.50 72.90 3h3b s THR 78 CO -0.00 -0.44 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.21 3h3b s LEU 79 N -1.87 2.05 -0.08 4.79 2.96 0.12 -1.57 118.68 125.08 3h3b s LEU 79 Ca -0.05 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3h3b s LEU 79 Cb -0.07 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3h3b s LEU 79 CO 0.00 0.07 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 3h3b s THR 80 N 0.83 2.54 -0.29 3.68 2.01 0.13 -0.81 115.64 123.73 3h3b s THR 80 Ca -0.07 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 3h3b s THR 80 Cb -0.15 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3h3b s THR 80 CO -0.02 0.56 0.06 -0.63 -0.69 0.00 0.00 174.62 173.91 3h3b s ILE 81 N -0.12 3.84 0.10 1.82 1.01 -0.21 -0.25 121.20 127.39 3h3b s ILE 81 Ca -0.03 -0.71 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 3h3b s ILE 81 Cb -0.14 -2.97 -0.11 0.00 0.01 0.00 0.00 42.46 39.26 3h3b s ILE 81 CO 0.04 0.11 1.63 1.23 0.00 0.00 0.00 174.94 177.95 3h3b h GLY 82 N 8.21 -0.60 -6.99 6.18 0.00 -1.31 -1.72 103.07 106.84 3h3b h GLY 82 Ca -0.32 0.33 -0.50 0.00 0.00 0.00 0.00 47.33 46.84 3h3b h GLY 82 CO 0.60 -0.24 -0.76 -0.45 0.00 0.00 0.00 176.54 175.68 3h3b s SER 83 N -4.74 2.91 0.24 0.19 0.15 -1.26 -3.54 113.70 107.65 3h3b s SER 83 Ca -0.16 -0.93 -0.30 0.00 0.70 0.00 0.00 55.95 55.26 3h3b s SER 83 Cb 0.07 -0.35 -0.10 0.00 -1.71 0.00 0.00 66.02 63.93 3h3b s SER 83 CO 0.64 -0.38 1.44 0.68 1.20 0.00 0.00 173.24 176.83 3h3b s VAL 84 N 2.07 2.70 0.34 4.45 -7.23 -0.48 -4.73 120.40 117.51 3h3b s VAL 84 Ca 0.05 0.57 0.07 0.00 -1.81 0.00 0.00 61.98 60.86 3h3b s VAL 84 Cb -0.16 -3.37 -0.01 0.00 0.56 0.00 0.00 36.38 33.40 3h3b s VAL 84 CO -0.20 0.09 0.47 -0.54 -0.31 0.00 0.00 175.10 174.61 3h3b s LYS 85 N -0.19 3.06 0.40 4.82 3.01 -1.26 -0.86 119.74 128.71 3h3b s LYS 85 Ca 0.60 -1.06 0.09 0.00 -1.01 0.00 0.00 55.97 54.59 3h3b s LYS 85 Cb -0.42 -2.79 0.84 0.00 -1.01 0.00 0.00 37.83 34.45 3h3b s LYS 85 CO 0.42 0.03 1.98 0.00 0.51 0.00 0.00 175.35 178.29 3h3b h ALA 86 N 0.89 1.61 0.00 5.17 0.00 -1.98 -2.42 119.26 122.53 3h3b h ALA 86 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3h3b h ALA 86 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h3b h ALA 86 CO 0.52 0.30 0.00 1.05 0.00 0.00 0.00 179.25 181.12 3h3b h GLU 87 N 0.35 0.00 0.00 0.00 4.11 -2.02 -3.06 114.58 113.95 3h3b h GLU 87 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3h3b h GLU 87 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3h3b h GLU 87 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 3h3b n ASP 88 N -2.83 0.00 -4.57 3.06 10.43 -0.91 -4.77 116.55 116.95 3h3b n ASP 88 Ca 0.01 0.05 -0.40 0.00 2.57 0.00 0.00 54.79 57.02 3h3b n ASP 88 Cb 0.27 -0.34 -0.03 0.00 1.84 0.00 0.00 41.12 42.86 3h3b n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3h3b s LEU 89 N -2.68 3.38 0.21 0.64 1.43 -1.16 -4.84 118.68 115.66 3h3b s LEU 89 Ca 0.23 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 53.88 3h3b s LEU 89 Cb 0.18 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.60 3h3b s LEU 89 CO 0.44 -2.19 1.01 0.00 0.23 0.00 0.00 176.35 175.84 3h3b s ALA 90 N 8.62 -1.49 -0.11 4.21 0.00 -1.22 -4.66 121.76 127.12 3h3b s ALA 90 Ca 0.75 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3h3b s ALA 90 Cb -0.17 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 3h3b s ALA 90 CO 0.26 -1.06 0.25 0.08 0.00 0.00 0.00 175.76 175.29 3h3b s VAL 91 N -2.15 5.32 -0.19 0.00 1.01 -0.97 -1.39 120.40 122.02 3h3b s VAL 91 Ca 0.21 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 3h3b s VAL 91 Cb -0.03 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3h3b s VAL 91 CO 0.06 0.52 -0.09 -0.31 0.00 0.00 0.00 175.10 175.28 3h3b s TYR 92 N -0.42 2.89 -0.14 5.22 2.02 -0.60 -1.54 117.35 124.78 3h3b s TYR 92 Ca 0.17 -0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 55.88 3h3b s TYR 92 Cb -0.13 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3h3b s TYR 92 CO 0.05 -0.50 -0.09 0.71 -1.57 0.00 0.00 175.55 174.15 3h3b s TYR 93 N 1.15 2.90 0.36 2.71 1.51 0.09 -1.21 117.35 124.86 3h3b s TYR 93 Ca 0.01 -0.52 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 3h3b s TYR 93 Cb -0.14 -1.90 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 3h3b s TYR 93 CO -0.03 -0.16 0.70 0.00 -1.11 0.00 0.00 175.55 174.96 3h3b s GLN 95 N -3.68 0.44 -0.08 0.00 -0.44 0.83 -0.43 119.66 116.30 3h3b s GLN 95 Ca 0.49 0.63 0.00 0.00 -2.50 0.00 0.00 55.36 53.98 3h3b s GLN 95 Cb -0.10 0.14 -0.03 0.00 -1.64 0.00 0.00 33.01 31.38 3h3b s GLN 95 CO 0.30 -0.09 -0.05 1.14 0.50 0.00 0.00 175.29 177.09 3h3b s GLN 96 N 0.60 2.84 -0.18 1.67 1.03 -0.60 -0.29 119.66 124.72 3h3b s GLN 96 Ca -0.03 -0.51 0.16 0.00 0.04 0.00 0.00 55.36 55.01 3h3b s GLN 96 Cb -0.05 -2.65 0.44 0.00 0.03 0.00 0.00 33.01 30.79 3h3b s GLN 96 CO -0.04 0.66 1.19 2.48 -2.54 0.00 0.00 175.29 177.04 3h3b n TYR 97 N 2.25 0.75 0.01 9.60 4.11 -0.82 -3.15 117.16 129.90 3h3b n TYR 97 Ca -0.18 -1.48 -0.22 0.00 -0.00 0.00 0.00 57.90 56.02 3h3b n TYR 97 Cb 0.53 -0.24 -0.14 0.00 -0.00 0.00 0.00 39.34 39.49 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 1.46 0.40 -5.06 9.48 0.87 -1.93 -3.49 113.55 115.28 3h3b h SER 98 Ca -0.00 -0.88 -0.15 0.00 -1.23 0.00 0.00 61.79 59.53 3h3b h SER 98 Cb 1.38 -0.13 -0.19 0.00 -0.44 0.00 0.00 62.40 63.02 3h3b h SER 98 CO 0.21 1.76 -0.63 0.20 -0.53 0.00 0.00 176.83 177.84 3h3b s ASN 99 N -7.07 0.26 0.25 6.23 0.01 -1.26 -5.13 114.94 108.23 3h3b s ASN 99 Ca -0.21 -0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 51.04 3h3b s ASN 99 Cb 0.06 0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.79 3h3b s ASN 99 CO 0.76 -0.42 1.00 -0.31 -1.51 0.00 0.00 177.10 176.62 3h3b s TYR 100 N -2.28 3.83 0.46 2.20 4.12 -1.26 -3.07 117.35 121.36 3h3b s TYR 100 Ca -0.08 1.83 -0.20 0.00 0.02 0.00 0.00 57.07 58.64 3h3b s TYR 100 Cb -0.04 -3.09 -0.10 0.00 -1.52 0.00 0.00 41.96 37.21 3h3b s TYR 100 CO -0.04 0.08 0.97 -1.25 0.02 0.00 0.00 175.55 175.33 3h3b s PRO 101 N -1.20 4.09 0.27 -1.71 0.04 -1.26 -4.69 135.00 130.54 3h3b s PRO 101 Ca 0.43 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3h3b s PRO 101 Cb -0.28 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3h3b s PRO 101 CO 0.35 -0.16 1.47 -1.58 0.04 0.00 0.00 177.00 177.12 3h3b s TRP 102 N -2.28 2.94 0.15 0.56 0.52 -1.17 -4.66 118.94 115.00 3h3b s TRP 102 Ca 0.62 1.00 0.05 0.00 0.02 0.00 0.00 56.10 57.79 3h3b s TRP 102 Cb -0.10 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.29 3h3b s TRP 102 CO 0.19 -2.85 -0.11 0.95 0.02 0.00 0.00 176.95 175.16 3h3b s THR 103 N -0.13 1.24 0.21 2.01 -4.23 -1.19 -4.26 115.64 109.28 3h3b s THR 103 Ca 0.59 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 59.12 3h3b s THR 103 Cb -0.43 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 3h3b s THR 103 CO 0.46 -0.73 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.37 3h3b s PHE 104 N -3.27 2.61 0.75 3.99 0.40 -1.26 -1.55 117.98 119.64 3h3b s PHE 104 Ca 0.17 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 3h3b s PHE 104 Cb 0.02 -1.24 0.04 0.00 0.51 0.00 0.00 43.02 42.35 3h3b s PHE 104 CO 0.01 0.55 1.13 0.20 0.70 0.00 0.00 175.22 177.81 3h3b s GLY 105 N -3.07 1.61 0.00 4.36 0.00 0.43 -4.54 107.32 106.11 3h3b s GLY 105 Ca 0.27 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.64 3h3b s GLY 105 CO 0.16 -0.03 1.31 0.61 0.00 0.00 0.00 173.10 175.15 3h3b n GLY 106 N -3.09 -0.83 0.00 0.20 0.00 -1.25 -4.73 105.19 95.49 3h3b n GLY 106 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3h3b n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3b n GLY 107 N -0.50 -1.18 3.14 -0.02 0.00 -1.26 -4.64 105.19 100.72 3h3b n GLY 107 Ca 0.02 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.32 2.47 -0.34 2.61 2.01 -0.35 -4.44 115.64 114.28 3h3b s THR 108 Ca 0.00 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.53 3h3b s THR 108 Cb 0.00 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3h3b s THR 108 CO 0.00 0.17 0.79 -0.60 -0.69 0.00 0.00 174.62 174.29 3h3b s ARG 109 N 1.24 3.86 -0.25 4.92 3.52 -0.52 -1.55 118.95 130.16 3h3b s ARG 109 Ca -0.02 0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 3h3b s ARG 109 Cb -0.17 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3h3b s ARG 109 CO -0.06 -0.77 0.36 -1.17 -0.81 0.00 0.00 175.30 172.85 3h3b s LEU 110 N 3.04 4.07 0.03 -0.88 2.96 -0.49 0.04 118.68 127.45 3h3b s LEU 110 Ca 0.32 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3h3b s LEU 110 Cb -0.14 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 3h3b s LEU 110 CO 0.15 -0.14 -0.06 -1.83 -1.32 0.00 0.00 176.35 173.15 3h3b s GLU 111 N 1.81 0.44 0.15 1.98 -1.05 -1.06 -3.41 118.70 117.57 3h3b s GLU 111 Ca 0.15 -0.66 -0.03 0.00 -0.15 0.00 0.00 54.97 54.29 3h3b s GLU 111 Cb -0.15 -0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.35 3h3b s GLU 111 CO 0.09 0.02 1.37 -0.84 0.95 0.00 0.00 175.26 176.85 3h3b h ILE 112 N 4.59 1.40 0.00 1.83 3.07 -1.89 0.54 117.51 127.04 3h3b h ILE 112 Ca -0.34 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 63.76 3h3b h ILE 112 Cb 1.20 2.27 0.00 0.00 -0.27 0.00 0.00 36.82 40.02 3h3b h ILE 112 CO 0.42 0.69 0.00 -0.62 -1.05 0.00 0.00 178.15 177.59 3h3b n GLU 135 N -3.78 0.00 -2.18 0.16 4.71 -1.26 -4.14 120.64 114.14 3h3b n GLU 135 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.67 3h3b n GLU 135 Cb 0.77 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 31.18 3h3b n GLU 135 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3h3b s VAL 136 N 0.00 3.87 0.00 2.62 1.01 -1.26 -3.69 120.40 122.95 3h3b s VAL 136 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.04 3h3b s VAL 136 Cb 0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3h3b s VAL 136 CO 0.00 -0.09 -0.03 -1.58 0.00 0.00 0.00 175.10 173.40 3h3b s GLN 137 N 3.78 0.23 -0.29 2.72 0.74 -0.45 -5.02 119.66 121.38 3h3b s GLN 137 Ca 0.66 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.89 3h3b s GLN 137 Cb -0.29 -0.17 0.08 0.00 1.10 0.00 0.00 33.01 33.74 3h3b s GLN 137 CO 0.23 0.04 0.03 -0.51 -0.55 0.00 0.00 175.29 174.54 3h3b s LEU 138 N -0.30 2.95 -0.41 3.68 1.43 -1.26 -1.46 118.68 123.31 3h3b s LEU 138 Ca -0.01 -1.58 -0.17 0.00 -1.03 0.00 0.00 54.13 51.34 3h3b s LEU 138 Cb -0.02 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.06 3h3b s LEU 138 CO -0.00 -0.34 0.44 -1.58 0.23 0.00 0.00 176.35 175.10 3h3b s GLN 139 N 1.37 3.17 0.25 1.70 0.74 0.57 -3.74 119.66 123.72 3h3b s GLN 139 Ca 0.04 -0.69 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 3h3b s GLN 139 Cb -0.18 -3.94 -0.06 0.00 1.10 0.00 0.00 33.01 29.93 3h3b s GLN 139 CO -0.14 -0.81 0.53 -0.65 -0.55 0.00 0.00 175.29 173.67 3h3b s GLN 140 N 2.15 3.68 0.83 1.67 -0.21 -1.26 -0.72 119.66 125.81 3h3b s GLN 140 Ca 0.13 0.08 -0.10 0.00 0.02 0.00 0.00 55.36 55.48 3h3b s GLN 140 Cb -0.17 -2.68 0.09 0.00 1.00 0.00 0.00 33.01 31.26 3h3b s GLN 140 CO 0.14 0.28 1.11 -1.54 -2.12 0.00 0.00 175.29 173.16 3h3b s SER 141 N -2.80 3.85 1.19 5.90 1.04 -1.04 -4.98 113.70 116.85 3h3b s SER 141 Ca 0.45 1.92 -0.16 0.00 0.48 0.00 0.00 55.95 58.63 3h3b s SER 141 Cb -0.11 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.78 3h3b s SER 141 CO 0.26 -2.47 1.04 -0.83 0.98 0.00 0.00 173.24 172.23 3h3b s GLY 142 N -3.14 1.53 0.57 7.32 0.00 -1.26 -4.71 107.32 107.62 3h3b s GLY 142 Ca 0.63 -0.52 -0.21 0.00 0.00 0.00 0.00 44.72 44.63 3h3b s GLY 142 CO 0.57 0.27 1.27 -1.55 0.00 0.00 0.00 173.10 173.66 3h3b n PRO 143 N -4.85 1.45 -4.06 2.90 -0.04 -1.26 -4.79 135.00 124.35 3h3b n PRO 143 Ca 0.07 0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 63.76 3h3b n PRO 143 Cb 0.57 -2.47 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 3h3b n PRO 143 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3h3b s GLU 144 N -2.90 2.56 -0.34 0.54 0.41 0.46 -4.99 118.70 114.44 3h3b s GLU 144 Ca 0.74 -0.72 -0.05 0.00 -0.41 0.00 0.00 54.97 54.52 3h3b s GLU 144 Cb -0.42 -2.36 0.05 0.00 -1.78 0.00 0.00 34.13 29.62 3h3b s GLU 144 CO 0.48 -0.25 0.09 0.08 -0.49 0.00 0.00 175.26 175.16 3h3b s VAL 145 N 1.38 3.59 0.24 2.63 1.01 -1.26 -1.03 120.40 126.96 3h3b s VAL 145 Ca 0.04 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.81 3h3b s VAL 145 Cb -0.13 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3h3b s VAL 145 CO -0.11 -0.20 0.02 0.68 0.00 0.00 0.00 175.10 175.49 3h3b s VAL 146 N 1.36 0.96 0.53 2.92 -7.23 -0.26 -5.00 120.40 113.67 3h3b s VAL 146 Ca -0.02 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.12 3h3b s VAL 146 Cb -0.20 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.33 3h3b s VAL 146 CO 0.02 -0.24 0.77 -0.54 -0.31 0.00 0.00 175.10 174.79 3h3b s LYS 147 N -3.90 2.79 0.05 4.82 1.02 -1.26 -0.32 119.74 122.94 3h3b s LYS 147 Ca 0.31 -0.51 -0.31 0.00 0.02 0.00 0.00 55.97 55.48 3h3b s LYS 147 Cb 0.06 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.84 3h3b s LYS 147 CO 0.10 -0.57 1.47 0.99 -0.92 0.00 0.00 175.35 176.43 3h3b s THR 148 N -2.74 3.40 0.00 2.17 2.01 -1.26 -2.67 115.64 116.55 3h3b s THR 148 Ca 0.53 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.41 3h3b s THR 148 Cb -0.10 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3h3b s THR 148 CO 0.40 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3h3b n GLY 149 N 3.71 0.78 3.90 4.40 0.00 0.75 -4.95 105.19 113.78 3h3b n GLY 149 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.22 2.26 0.32 4.61 0.00 -1.09 -4.32 121.76 121.32 3h3b s ALA 150 Ca 0.00 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.08 3h3b s ALA 150 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 3h3b s ALA 150 CO 0.00 -2.25 -0.12 -1.12 0.00 0.00 0.00 175.76 172.27 3h3b s SER 151 N -4.71 3.75 -0.07 0.00 0.01 -1.26 -2.53 113.70 108.89 3h3b s SER 151 Ca 0.70 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 3h3b s SER 151 Cb -0.07 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.81 3h3b s SER 151 CO 0.52 -0.11 0.20 0.54 0.41 0.00 0.00 173.24 174.80 3h3b s VAL 152 N -2.55 0.00 -0.36 3.43 0.11 -0.23 -5.00 120.40 115.80 3h3b s VAL 152 Ca 0.32 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.38 3h3b s VAL 152 Cb -0.01 -0.29 0.10 0.00 -1.53 0.00 0.00 36.38 34.65 3h3b s VAL 152 CO 0.16 -0.01 0.09 -0.75 -3.33 0.00 0.00 175.10 171.26 3h3b s LYS 153 N 0.06 1.45 -0.04 1.54 2.20 -1.26 -0.29 119.74 123.41 3h3b s LYS 153 Ca -0.00 -1.89 -0.27 0.00 -0.36 0.00 0.00 55.97 53.44 3h3b s LYS 153 Cb -0.02 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 3h3b s LYS 153 CO 0.00 -0.97 0.87 0.42 -0.36 0.00 0.00 175.35 175.31 3h3b s ILE 154 N 0.81 4.93 0.13 5.43 1.01 -0.10 -4.90 121.20 128.52 3h3b s ILE 154 Ca 0.12 1.82 0.01 0.00 0.00 0.00 0.00 60.65 62.59 3h3b s ILE 154 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 3h3b s ILE 154 CO -0.09 0.18 0.28 -0.94 0.00 0.00 0.00 174.94 174.38 3h3b s SER 155 N 0.94 6.36 -0.28 3.58 1.04 -1.26 -1.19 113.70 122.90 3h3b s SER 155 Ca 0.46 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 57.12 3h3b s SER 155 Cb -0.20 -1.95 0.09 0.00 0.10 0.00 0.00 66.02 64.07 3h3b s SER 155 CO 0.23 0.07 0.12 0.00 0.98 0.00 0.00 173.24 174.64 3h3b s LYS 157 N 2.03 4.17 -0.04 0.00 2.47 0.10 -0.93 119.74 127.54 3h3b s LYS 157 Ca 0.08 0.72 -0.08 0.00 -1.56 0.00 0.00 55.97 55.13 3h3b s LYS 157 Cb -0.16 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 3h3b s LYS 157 CO -0.32 -0.40 0.25 0.00 0.16 0.00 0.00 175.35 175.04 3h3b s ALA 158 N 2.45 3.83 0.02 3.13 0.00 0.72 -0.32 121.76 131.60 3h3b s ALA 158 Ca 0.30 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 3h3b s ALA 158 Cb -0.16 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.90 3h3b s ALA 158 CO 0.09 0.61 0.31 -1.54 0.00 0.00 0.00 175.76 175.23 3h3b s SER 159 N -1.33 -0.16 0.00 0.00 1.04 -0.54 -4.82 113.70 107.90 3h3b s SER 159 Ca 0.22 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3h3b s SER 159 Cb -0.13 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3h3b s SER 159 CO 0.11 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3h3b n GLY 160 N 0.81 0.74 3.60 7.32 0.00 -1.24 -1.34 105.19 115.08 3h3b n GLY 160 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.16 -0.36 -0.39 1.61 1.13 -1.26 -4.42 117.35 111.50 3h3b s TYR 161 Ca 0.00 0.04 -0.28 0.00 -1.41 0.00 0.00 57.07 55.42 3h3b s TYR 161 Cb 0.00 0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 41.45 3h3b s TYR 161 CO 0.00 -1.01 1.72 0.45 -2.51 0.00 0.00 175.55 174.20 3h3b s SER 162 N -2.83 5.91 0.19 -0.18 0.15 -1.26 -4.91 113.70 110.77 3h3b s SER 162 Ca 0.06 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 57.65 3h3b s SER 162 Cb -0.03 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.88 3h3b s SER 162 CO -0.04 -1.74 1.84 0.15 1.20 0.00 0.00 173.24 174.65 3h3b h PHE 163 N 12.67 0.73 0.00 3.44 3.57 -1.96 -2.78 116.94 132.61 3h3b h PHE 163 Ca -0.31 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3h3b h PHE 163 Cb 1.15 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3h3b h PHE 163 CO 0.97 0.43 0.00 0.25 -2.23 0.00 0.00 178.31 177.73 3h3b n THR 164 N -4.70 0.63 1.56 4.41 -2.24 -1.26 -2.85 114.28 109.82 3h3b n THR 164 Ca 0.05 0.10 0.15 0.00 -2.27 0.00 0.00 64.05 62.09 3h3b n THR 164 Cb 0.06 -0.83 0.79 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.61 -1.19 3.30 3.38 0.00 -1.05 -3.94 105.19 106.30 3h3b n GLY 165 Ca 0.05 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 1.46 0.14 1.61 2.02 -1.13 -4.66 117.35 114.35 3h3b s TYR 166 Ca 0.33 -0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 56.15 3h3b s TYR 166 Cb 0.21 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 3h3b s TYR 166 CO 0.44 -0.01 0.31 -0.06 -1.57 0.00 0.00 175.55 174.67 3h3b s PHE 167 N -3.40 3.49 -0.27 2.71 0.40 0.45 -3.38 117.98 117.98 3h3b s PHE 167 Ca 0.25 0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.84 3h3b s PHE 167 Cb 0.05 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.80 3h3b s PHE 167 CO 0.06 0.48 -0.02 0.42 0.70 0.00 0.00 175.22 176.86 3h3b s ILE 168 N -1.71 3.13 0.05 0.64 -1.09 -0.66 -2.39 121.20 119.17 3h3b s ILE 168 Ca 0.37 -1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 57.64 3h3b s ILE 168 Cb -0.12 -2.65 -0.06 0.00 -1.58 0.00 0.00 42.46 38.06 3h3b s ILE 168 CO 0.28 0.10 0.39 0.20 -1.23 0.00 0.00 174.94 174.67 3h3b s ASN 169 N 1.34 6.66 -0.09 3.58 -0.87 0.15 -1.03 114.94 124.70 3h3b s ASN 169 Ca -0.01 0.81 0.02 0.00 -1.57 0.00 0.00 52.86 52.12 3h3b s ASN 169 Cb -0.17 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 38.85 3h3b s ASN 169 CO -0.02 0.22 -0.16 0.26 -2.57 0.00 0.00 177.10 174.83 3h3b s TRP 170 N -1.30 2.70 -0.03 2.20 0.52 0.40 0.54 118.94 123.97 3h3b s TRP 170 Ca 0.30 -0.48 0.03 0.00 0.02 0.00 0.00 56.10 55.97 3h3b s TRP 170 Cb -0.14 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 3h3b s TRP 170 CO 0.16 -0.06 -0.11 0.08 0.02 0.00 0.00 176.95 177.04 3h3b s VAL 171 N -0.15 0.91 -0.19 4.03 1.01 0.46 -0.64 120.40 125.83 3h3b s VAL 171 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3h3b s VAL 171 Cb -0.14 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3h3b s VAL 171 CO 0.03 0.28 0.11 -0.75 0.00 0.00 0.00 175.10 174.77 3h3b s LYS 172 N 0.12 4.08 -0.13 2.72 2.20 0.14 -0.48 119.74 128.39 3h3b s LYS 172 Ca -0.03 -0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 3h3b s LYS 172 Cb -0.09 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3h3b s LYS 172 CO 0.01 0.32 -0.03 0.21 -0.36 0.00 0.00 175.35 175.50 3h3b s LYS 173 N 0.27 1.11 0.17 4.03 2.47 0.14 -0.87 119.74 127.07 3h3b s LYS 173 Ca 0.07 -0.24 0.04 0.00 -1.56 0.00 0.00 55.97 54.28 3h3b s LYS 173 Cb -0.11 -1.58 -0.04 0.00 -1.46 0.00 0.00 37.83 34.64 3h3b s LYS 173 CO -0.01 -0.37 0.25 -0.80 0.16 0.00 0.00 175.35 174.58 3h3b s ASN 174 N 1.79 6.05 0.13 1.43 0.01 -1.26 -1.42 114.94 121.66 3h3b s ASN 174 Ca 0.03 0.04 -0.32 0.00 -0.71 0.00 0.00 52.86 51.90 3h3b s ASN 174 Cb -0.14 -1.73 -0.11 0.00 0.41 0.00 0.00 41.25 39.67 3h3b s ASN 174 CO -0.07 0.03 1.79 -1.54 -1.51 0.00 0.00 177.10 175.80 3h3b n SER 175 N -0.66 3.88 -0.51 -1.22 3.41 -1.26 -2.78 113.62 114.46 3h3b n SER 175 Ca -0.08 1.01 -0.07 0.00 -0.26 0.00 0.00 58.87 59.48 3h3b n SER 175 Cb 0.55 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 3h3b n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3b n GLY 176 N 4.09 0.87 3.23 5.00 0.00 -1.26 -5.01 105.19 112.11 3h3b n GLY 176 Ca 0.18 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.24 0.98 0.55 1.61 1.02 -1.12 -5.16 119.74 115.38 3h3b s LYS 177 Ca 0.00 -1.23 -0.17 0.00 0.02 0.00 0.00 55.97 54.59 3h3b s LYS 177 Cb 0.00 -0.80 -0.06 0.00 -0.52 0.00 0.00 37.83 36.45 3h3b s LYS 177 CO 0.00 0.15 1.04 -1.54 -0.92 0.00 0.00 175.35 174.08 3h3b s SER 178 N -2.49 6.06 0.47 2.83 1.04 -1.26 -4.42 113.70 115.93 3h3b s SER 178 Ca 0.08 1.83 -0.24 0.00 0.48 0.00 0.00 55.95 58.10 3h3b s SER 178 Cb -0.04 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 3h3b s SER 178 CO 0.02 -0.98 1.37 -2.84 0.98 0.00 0.00 173.24 171.79 3h3b s PRO 179 N -3.78 3.61 -0.16 4.02 0.02 -1.26 -4.72 135.00 132.72 3h3b s PRO 179 Ca 0.64 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.94 3h3b s PRO 179 Cb -0.16 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.80 3h3b s PRO 179 CO 0.30 -0.83 -0.12 -1.21 -0.33 0.00 0.00 177.00 174.81 3h3b s GLU 180 N -2.54 3.33 -0.44 5.54 2.02 -0.05 -4.39 118.70 122.17 3h3b s GLU 180 Ca 0.63 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 3h3b s GLU 180 Cb -0.41 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3h3b s GLU 180 CO 0.51 0.05 1.43 -0.46 0.02 0.00 0.00 175.26 176.81 3h3b s TRP 181 N 0.76 2.36 0.17 1.61 -0.00 -1.26 -0.68 118.94 121.89 3h3b s TRP 181 Ca -0.05 0.64 -0.05 0.00 -0.00 0.00 0.00 56.10 56.64 3h3b s TRP 181 Cb -0.15 -4.32 0.06 0.00 -0.00 0.00 0.00 33.47 29.06 3h3b s TRP 181 CO 0.01 -2.00 1.48 0.82 -0.00 0.00 0.00 176.95 177.26 3h3b h ILE 182 N 6.47 1.31 0.00 5.86 2.04 -1.24 -3.41 117.51 128.54 3h3b h ILE 182 Ca -0.27 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3h3b h ILE 182 Cb 1.10 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3h3b h ILE 182 CO 1.10 0.56 0.00 0.61 0.00 0.00 0.00 178.15 180.42 3h3b n GLY 183 N 0.27 -0.97 3.19 5.37 0.00 -1.20 -0.90 105.19 110.95 3h3b n GLY 183 Ca -0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.88 0.66 -0.03 1.61 -3.43 -0.55 -0.46 115.29 111.21 3h3b s HIS 184 Ca 0.00 -1.05 0.04 0.00 -0.80 0.00 0.00 55.06 53.25 3h3b s HIS 184 Cb 0.00 -0.33 -0.00 0.00 -1.43 0.00 0.00 32.58 30.81 3h3b s HIS 184 CO 0.00 -0.56 -0.15 -1.50 -2.00 0.00 0.00 174.74 170.53 3h3b s ILE 185 N -4.00 1.25 -0.04 -5.38 2.07 -0.20 -0.95 121.20 113.96 3h3b s ILE 185 Ca 0.19 -0.63 -0.30 0.00 -1.41 0.00 0.00 60.65 58.50 3h3b s ILE 185 Cb 0.06 -1.07 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 3h3b s ILE 185 CO -0.01 0.36 1.26 -0.55 -1.91 0.00 0.00 174.94 174.09 3h3b s SER 186 N -0.04 6.99 0.06 4.50 0.15 0.12 -1.65 113.70 123.83 3h3b s SER 186 Ca -0.01 1.91 -0.20 0.00 0.70 0.00 0.00 55.95 58.35 3h3b s SER 186 Cb -0.09 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.54 3h3b s SER 186 CO 0.01 -0.62 1.43 0.28 1.20 0.00 0.00 173.24 175.54 3h3b h SER 187 N 7.55 0.40 -0.30 5.45 0.02 -1.84 -1.27 113.55 123.56 3h3b h SER 187 Ca -0.35 -0.40 -0.17 0.00 -0.84 0.00 0.00 61.79 60.03 3h3b h SER 187 Cb 1.17 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3h3b h SER 187 CO 0.89 0.71 -0.48 0.77 -1.14 0.00 0.00 176.83 177.57 3h3b h SER 188 N 0.09 0.95 -0.36 3.07 4.64 -1.84 -3.33 113.55 116.77 3h3b h SER 188 Ca 0.04 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3h3b h SER 188 Cb 0.55 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3h3b h SER 188 CO 0.03 1.28 0.00 -1.22 -0.87 0.00 0.00 176.83 176.05 3h3b n TYR 189 N -4.06 0.47 -3.96 4.77 4.01 -1.25 -4.97 117.16 112.18 3h3b n TYR 189 Ca -0.04 -0.34 -0.32 0.00 -0.16 0.00 0.00 57.90 57.04 3h3b n TYR 189 Cb 0.59 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.98 -1.22 -2.57 -0.72 0.00 -0.48 -4.92 120.51 111.57 3h3b n ALA 190 Ca 0.15 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 3h3b n ALA 190 Cb 0.48 -3.79 -0.09 0.00 0.00 0.00 0.00 19.45 16.05 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 -3.22 5.16 -0.14 0.00 2.01 -1.21 -4.88 115.64 113.36 3h3b s THR 191 Ca 0.66 0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 3h3b s THR 191 Cb -0.35 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3h3b s THR 191 CO 0.81 0.01 0.02 -0.44 -0.69 0.00 0.00 174.62 174.33 3h3b s SER 192 N 1.70 5.28 -0.08 3.53 0.01 -1.26 -0.70 113.70 122.18 3h3b s SER 192 Ca 0.14 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.49 3h3b s SER 192 Cb -0.16 -1.76 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 3h3b s SER 192 CO 0.11 0.25 -0.22 -0.89 0.41 0.00 0.00 173.24 172.89 3h3b s THR 193 N -0.08 1.89 0.02 1.44 2.01 -0.12 -5.02 115.64 115.78 3h3b s THR 193 Ca 0.04 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.18 3h3b s THR 193 Cb -0.13 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3h3b s THR 193 CO 0.02 0.53 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.95 3h3b s TYR 194 N 0.25 2.47 0.27 4.92 2.02 -1.26 -1.48 117.35 124.53 3h3b s TYR 194 Ca -0.14 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 55.94 3h3b s TYR 194 Cb -0.16 -1.48 -0.11 0.00 -0.40 0.00 0.00 41.96 39.81 3h3b s TYR 194 CO 0.07 0.15 1.57 1.21 -1.57 0.00 0.00 175.55 176.98 3h3b s ASN 195 N -1.10 6.44 0.32 2.29 3.84 -0.07 -4.91 114.94 121.74 3h3b s ASN 195 Ca 0.12 2.86 0.08 0.00 0.21 0.00 0.00 52.86 56.14 3h3b s ASN 195 Cb -0.10 -2.63 0.81 0.00 -0.55 0.00 0.00 41.25 38.78 3h3b s ASN 195 CO 0.02 -0.87 1.78 -0.61 -2.79 0.00 0.00 177.10 174.63 3h3b h GLN 196 N 5.20 0.67 0.00 0.43 5.75 -1.94 -0.49 115.11 124.73 3h3b h GLN 196 Ca -0.46 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3h3b h GLN 196 Cb 1.22 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 3h3b h GLN 196 CO 0.81 0.44 -0.01 -0.22 -2.65 0.00 0.00 178.83 177.21 3h3b h LYS 197 N 0.69 0.00 -0.33 1.69 3.64 -1.95 -2.75 116.57 117.56 3h3b h LYS 197 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3h3b h LYS 197 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3h3b h LYS 197 CO -0.38 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 178.00 3h3b n PHE 198 N -4.15 0.84 -0.11 1.91 3.72 -0.20 -4.74 117.46 114.72 3h3b n PHE 198 Ca -0.03 -0.71 -0.08 0.00 -0.05 0.00 0.00 57.45 56.58 3h3b n PHE 198 Cb 0.09 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 2.13 0.44 -0.57 -1.08 3.64 -1.33 -0.81 116.57 118.97 3h3b h LYS 199 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3h3b h LYS 199 Cb 1.19 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3h3b h LYS 199 CO 0.15 0.29 0.01 0.09 -2.27 0.00 0.00 179.45 177.72 3h3b n ASN 200 N -4.87 5.70 -0.06 4.20 3.02 -1.26 -4.42 115.26 117.56 3h3b n ASN 200 Ca 0.00 -2.95 -0.12 0.00 -0.03 0.00 0.00 54.58 51.48 3h3b n ASN 200 Cb 0.05 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.49 3h3b n ASN 200 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3h3b n LYS 201 N 0.57 0.25 -4.44 3.52 3.00 -0.59 -4.86 118.16 115.62 3h3b n LYS 201 Ca 0.28 0.11 -0.30 0.00 -0.00 0.00 0.00 58.31 58.40 3h3b n LYS 201 Cb 1.21 -0.96 -0.11 0.00 0.00 0.00 0.00 35.03 35.17 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 -2.22 2.74 -0.03 3.14 0.00 -0.41 -2.60 121.76 122.37 3h3b s ALA 202 Ca -0.16 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 3h3b s ALA 202 Cb 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.44 3h3b s ALA 202 CO 0.21 0.60 0.05 0.00 0.00 0.00 0.00 175.76 176.62 3h3b s ALA 203 N -1.06 0.14 -0.08 0.00 0.00 -0.52 -4.82 121.76 115.42 3h3b s ALA 203 Ca 0.17 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 3h3b s ALA 203 Cb -0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3h3b s ALA 203 CO 0.09 -0.32 0.23 -0.06 0.00 0.00 0.00 175.76 175.70 3h3b s PHE 204 N 1.67 3.64 0.17 0.00 2.99 -1.26 -0.97 117.98 124.21 3h3b s PHE 204 Ca -0.02 0.68 0.02 0.00 0.00 0.00 0.00 56.93 57.62 3h3b s PHE 204 Cb -0.12 -2.07 -0.05 0.00 0.00 0.00 0.00 43.02 40.78 3h3b s PHE 204 CO -0.03 0.69 -0.01 0.95 -0.00 0.00 0.00 175.22 176.81 3h3b s THR 205 N -0.98 0.74 0.08 0.64 -4.23 -0.67 -5.01 115.64 106.21 3h3b s THR 205 Ca 0.18 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 3h3b s THR 205 Cb -0.14 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3h3b s THR 205 CO 0.07 -0.53 -0.07 0.68 -0.54 0.00 0.00 174.62 174.22 3h3b s VAL 206 N -3.61 0.66 -0.30 2.29 -7.23 -1.26 -0.32 120.40 110.63 3h3b s VAL 206 Ca 0.22 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3h3b s VAL 206 Cb 0.06 -1.30 0.09 0.00 0.56 0.00 0.00 36.38 35.79 3h3b s VAL 206 CO 0.03 -0.68 0.06 -0.62 -0.31 0.00 0.00 175.10 173.58 3h3b s ASP 207 N -2.50 4.10 0.26 4.85 2.15 0.78 -4.98 116.67 121.33 3h3b s ASP 207 Ca 0.04 -1.63 -0.02 0.00 0.43 0.00 0.00 52.55 51.37 3h3b s ASP 207 Cb -0.00 -1.06 0.49 0.00 -0.30 0.00 0.00 42.92 42.05 3h3b s ASP 207 CO -0.03 -0.37 1.78 0.74 -0.17 0.00 0.00 175.17 177.12 3h3b h THR 208 N 6.55 0.79 -0.42 1.71 2.02 -1.90 -1.77 112.91 119.87 3h3b h THR 208 Ca -0.12 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3h3b h THR 208 Cb 1.03 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3h3b h THR 208 CO 0.46 0.12 0.26 0.28 0.37 0.00 0.00 175.52 177.02 3h3b h SER 209 N 0.68 0.50 -0.57 4.18 0.02 -1.95 -2.91 113.55 113.51 3h3b h SER 209 Ca 0.44 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3h3b h SER 209 Cb 0.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3h3b h SER 209 CO -0.33 0.40 0.00 -1.54 -1.14 0.00 0.00 176.83 174.22 3h3b n SER 210 N -4.76 3.32 -3.82 3.07 3.41 -1.09 -4.95 113.62 108.81 3h3b n SER 210 Ca 0.01 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.34 3h3b n SER 210 Cb 0.05 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.33 -3.83 -4.23 4.04 7.64 -0.70 -4.71 113.62 113.15 3h3b n SER 211 Ca 0.21 -0.71 -0.30 0.00 1.01 0.00 0.00 58.87 59.08 3h3b n SER 211 Cb 0.54 -3.13 -0.16 0.00 -1.01 0.00 0.00 64.21 60.45 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 -3.14 1.88 0.08 0.44 2.01 -0.98 -0.20 115.64 115.73 3h3b s THR 212 Ca 0.60 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3h3b s THR 212 Cb -0.32 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 3h3b s THR 212 CO 0.73 0.53 0.06 0.00 -0.69 0.00 0.00 174.62 175.25 3h3b s ALA 213 N -0.13 3.51 0.06 7.40 0.00 -0.11 -0.15 121.76 132.34 3h3b s ALA 213 Ca -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 50.96 3h3b s ALA 213 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3h3b s ALA 213 CO 0.03 0.74 -0.17 -0.06 0.00 0.00 0.00 175.76 176.30 3h3b s PHE 214 N -1.37 1.49 -0.10 0.00 0.40 0.56 0.03 117.98 119.00 3h3b s PHE 214 Ca 0.28 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 3h3b s PHE 214 Cb -0.12 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.58 3h3b s PHE 214 CO 0.21 0.10 -0.07 1.41 0.70 0.00 0.00 175.22 177.57 3h3b s MET 215 N -1.48 1.36 -0.21 0.44 1.75 -0.33 -1.67 119.30 119.16 3h3b s MET 215 Ca 0.03 -0.20 -0.12 0.00 -1.25 0.00 0.00 55.69 54.15 3h3b s MET 215 Cb -0.09 -1.43 -0.05 0.00 2.84 0.00 0.00 34.83 36.10 3h3b s MET 215 CO 0.02 -0.24 0.24 -1.14 -0.65 0.00 0.00 175.02 173.25 3h3b s GLN 216 N 1.61 4.15 -0.17 4.11 0.74 -0.14 -0.92 119.66 129.04 3h3b s GLN 216 Ca 0.02 -0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.32 3h3b s GLN 216 Cb -0.13 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 3h3b s GLN 216 CO -0.06 0.11 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.22 3h3b s LEU 217 N 0.91 3.10 0.39 3.68 1.43 0.61 -1.44 118.68 127.36 3h3b s LEU 217 Ca 0.12 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3h3b s LEU 217 Cb -0.13 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 3h3b s LEU 217 CO 0.04 0.13 0.02 0.54 0.23 0.00 0.00 176.35 177.31 3h3b s ASN 218 N 0.60 3.51 -1.50 2.29 2.20 -1.07 -1.07 114.94 119.91 3h3b s ASN 218 Ca -0.03 -1.37 -0.11 0.00 -0.94 0.00 0.00 52.86 50.41 3h3b s ASN 218 Cb -0.15 -0.32 0.07 0.00 -2.00 0.00 0.00 41.25 38.85 3h3b s ASN 218 CO 0.03 -0.49 0.89 -1.20 -2.94 0.00 0.00 177.10 173.38 3h3b n SER 219 N -0.90 -3.75 -4.68 3.54 7.64 -1.23 -4.85 113.62 109.39 3h3b n SER 219 Ca -0.04 -0.82 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 3h3b n SER 219 Cb 0.67 -3.79 -0.03 0.00 -1.01 0.00 0.00 64.21 60.05 3h3b n SER 219 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h3b s LEU 220 N -7.15 4.40 0.00 -3.43 1.02 -1.05 -4.65 118.68 107.82 3h3b s LEU 220 Ca 0.51 2.68 0.01 0.00 0.02 0.00 0.00 54.13 57.35 3h3b s LEU 220 Cb -0.26 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.41 3h3b s LEU 220 CO 0.84 -1.00 0.11 0.35 0.02 0.00 0.00 176.35 176.67 3h3b n THR 221 N 4.95 0.00 0.17 5.49 -2.24 -1.26 -0.18 114.28 121.21 3h3b n THR 221 Ca 0.18 -2.09 0.06 0.00 -2.27 0.00 0.00 64.05 59.93 3h3b n THR 221 Cb 0.39 0.28 0.53 0.00 -2.10 0.00 0.00 70.33 69.43 3h3b n THR 221 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h3b h SER 222 N 0.94 0.15 0.34 3.42 0.02 -1.95 -2.04 113.55 114.44 3h3b h SER 222 Ca -0.36 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3h3b h SER 222 Cb 1.14 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3h3b h SER 222 CO 0.59 0.17 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.10 3h3b h GLU 223 N 0.17 0.00 -0.01 3.45 5.08 -1.96 -2.29 114.58 119.03 3h3b h GLU 223 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h3b h GLU 223 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3h3b h GLU 223 CO -0.00 0.02 -0.23 -0.25 -1.00 0.00 0.00 179.01 177.55 3h3b n ASP 224 N -3.22 0.76 -4.66 1.42 10.43 -0.76 -4.83 116.55 115.68 3h3b n ASP 224 Ca -0.02 -0.67 -0.43 0.00 2.57 0.00 0.00 54.79 56.25 3h3b n ASP 224 Cb 0.16 0.06 -0.02 0.00 1.84 0.00 0.00 41.12 43.16 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 -2.57 6.84 -0.04 -2.24 0.01 -0.86 -4.88 113.70 109.96 3h3b s SER 225 Ca 0.24 1.91 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 3h3b s SER 225 Cb 0.19 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 64.00 3h3b s SER 225 CO 0.53 -0.81 1.32 0.00 0.41 0.00 0.00 173.24 174.69 3h3b s ALA 226 N 3.59 -2.44 0.07 1.44 0.00 -0.19 -4.95 121.76 119.28 3h3b s ALA 226 Ca 0.62 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 3h3b s ALA 226 Cb -0.26 0.62 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 3h3b s ALA 226 CO 0.21 -1.11 0.65 0.08 0.00 0.00 0.00 175.76 175.59 3h3b s VAL 227 N -2.14 4.70 -0.07 0.00 1.01 -0.51 -0.63 120.40 122.77 3h3b s VAL 227 Ca 0.23 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.65 3h3b s VAL 227 Cb 0.03 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3h3b s VAL 227 CO -0.03 0.48 -0.23 -0.31 0.00 0.00 0.00 175.10 175.02 3h3b s TYR 228 N -0.72 2.31 0.03 5.22 1.51 0.28 -0.69 117.35 125.28 3h3b s TYR 228 Ca 0.32 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 3h3b s TYR 228 Cb -0.20 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 3h3b s TYR 228 CO 0.21 -0.27 -0.22 0.71 -1.11 0.00 0.00 175.55 174.86 3h3b s TYR 229 N 0.06 2.45 -0.12 2.71 1.51 0.37 -0.43 117.35 123.90 3h3b s TYR 229 Ca -0.09 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 3h3b s TYR 229 Cb -0.15 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 3h3b s TYR 229 CO 0.05 0.16 0.12 0.00 -1.11 0.00 0.00 175.55 174.77 3h3b s VAL 231 N -0.92 0.46 0.08 0.00 1.01 0.19 -0.86 120.40 120.37 3h3b s VAL 231 Ca 0.14 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 3h3b s VAL 231 Cb -0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 3h3b s VAL 231 CO 0.03 0.15 0.61 -0.60 0.00 0.00 0.00 175.10 175.30 3h3b s ARG 232 N 0.14 4.29 0.11 2.72 3.52 -0.44 0.35 118.95 129.64 3h3b s ARG 232 Ca -0.01 0.82 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 3h3b s ARG 232 Cb -0.06 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3h3b s ARG 232 CO -0.00 0.58 -0.04 -1.54 -0.81 0.00 0.00 175.30 173.49 3h3b s SER 233 N -0.96 1.00 0.00 -2.12 1.04 -1.00 -0.52 113.70 111.15 3h3b s SER 233 Ca 0.31 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3h3b s SER 233 Cb -0.20 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3h3b s SER 233 CO 0.20 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3h3b n GLY 234 N -0.06 5.46 3.50 7.32 0.00 0.24 -0.41 105.19 121.23 3h3b n GLY 234 Ca -0.11 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 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 3.36 1.14 1.61 0.01 -1.25 -4.21 114.94 116.61 3h3b s ASN 235 Ca 0.00 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 3h3b s ASN 235 Cb 0.00 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.38 3h3b s ASN 235 CO 0.00 -0.24 0.00 -1.22 -1.51 0.00 0.00 177.10 174.13 3h3b n TYR 236 N -0.71 0.00 0.27 2.20 4.02 -1.26 -0.45 117.16 121.24 3h3b n TYR 236 Ca -0.05 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.02 3h3b n TYR 236 Cb 0.63 0.00 0.91 0.00 -0.02 0.00 0.00 39.34 40.86 3h3b n TYR 236 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3h3b h GLU 237 N 0.00 0.00 -0.71 -0.72 4.39 -2.03 -1.67 114.58 113.85 3h3b h GLU 237 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3h3b h GLU 237 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 3h3b h GLU 237 CO 0.00 0.00 0.16 0.39 -1.16 0.00 0.00 179.01 178.40 3h3b n GLU 238 N -3.30 4.05 -0.19 2.33 1.02 0.40 -4.63 120.64 120.33 3h3b n GLU 238 Ca -0.00 -2.96 0.08 0.00 -0.02 0.00 0.00 57.16 54.27 3h3b n GLU 238 Cb 0.31 -2.20 0.38 0.00 -0.02 0.00 0.00 31.44 29.91 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 3.05 0.73 -4.26 -0.32 3.20 -1.27 0.71 116.97 118.81 3h3b h TYR 239 Ca 0.16 0.02 -0.50 0.00 3.14 0.00 0.00 58.73 61.55 3h3b h TYR 239 Cb 2.14 -0.24 0.07 0.00 1.54 0.00 0.00 36.73 40.24 3h3b h TYR 239 CO 1.17 0.36 0.38 0.00 -1.64 0.00 0.00 178.16 178.42 3h3b s ALA 240 N -5.64 2.78 0.18 1.82 0.00 -1.26 -4.07 121.76 115.58 3h3b s ALA 240 Ca -0.09 0.21 -0.32 0.00 0.00 0.00 0.00 51.96 51.76 3h3b s ALA 240 Cb 0.20 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 3h3b s ALA 240 CO 0.77 -0.90 1.64 -1.64 0.00 0.00 0.00 175.76 175.64 3h3b s MET 241 N -4.53 4.17 0.02 0.00 -1.94 -1.26 -4.10 119.30 111.66 3h3b s MET 241 Ca 0.60 2.48 -0.02 0.00 -1.71 0.00 0.00 55.69 57.04 3h3b s MET 241 Cb -0.14 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 3h3b s MET 241 CO 0.45 -0.68 -0.04 -0.40 -0.01 0.00 0.00 175.02 174.34 3h3b n ASP 242 N 4.03 0.60 -4.60 3.03 5.68 0.32 -4.86 116.55 120.75 3h3b n ASP 242 Ca 0.15 0.08 -0.38 0.00 -0.50 0.00 0.00 54.79 54.14 3h3b n ASP 242 Cb 0.37 -0.26 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.55 3.24 0.16 2.11 1.51 -1.25 -3.97 117.35 117.59 3h3b s TYR 243 Ca -0.03 0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 3h3b s TYR 243 Cb 0.00 -2.47 -0.07 0.00 -0.11 0.00 0.00 41.96 39.31 3h3b s TYR 243 CO 0.04 -0.18 0.50 -1.58 -1.11 0.00 0.00 175.55 173.22 3h3b s TRP 244 N 1.88 3.53 1.05 2.71 0.52 -1.26 -1.33 118.94 126.04 3h3b s TRP 244 Ca 0.11 0.89 -0.16 0.00 0.02 0.00 0.00 56.10 56.95 3h3b s TRP 244 Cb -0.16 -2.25 0.22 0.00 -1.15 0.00 0.00 33.47 30.14 3h3b s TRP 244 CO 0.10 0.40 1.19 0.20 0.02 0.00 0.00 176.95 178.86 3h3b s GLY 245 N -2.01 1.65 0.31 0.98 0.00 -0.03 -4.73 107.32 103.49 3h3b s GLY 245 Ca 0.40 -0.94 0.26 0.00 0.00 0.00 0.00 44.72 44.44 3h3b s GLY 245 CO 0.20 -0.17 1.74 0.06 0.00 0.00 0.00 173.10 174.93 3h3b h GLN 246 N -2.00 0.00 0.00 2.90 -0.00 -1.89 -3.46 115.11 110.66 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 0.42 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.66 3h3b n GLY 247 N 0.94 2.38 2.68 0.06 0.00 -1.26 -4.73 105.19 105.26 3h3b n GLY 247 Ca 0.04 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.54 0.12 -0.08 2.61 2.01 0.43 -4.87 115.64 113.33 3h3b s THR 248 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 3h3b s THR 248 Cb 0.00 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3h3b s THR 248 CO 0.00 -0.08 1.06 -0.55 -0.69 0.00 0.00 174.62 174.36 3h3b s SER 249 N 2.06 7.20 -0.19 3.53 0.15 -1.26 -0.56 113.70 124.63 3h3b s SER 249 Ca 0.02 1.64 -0.00 0.00 0.70 0.00 0.00 55.95 58.31 3h3b s SER 249 Cb -0.15 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 3h3b s SER 249 CO -0.07 -0.47 -0.15 -0.69 1.20 0.00 0.00 173.24 173.06 3h3b s VAL 250 N 1.94 2.44 -0.15 4.45 1.01 0.20 -0.40 120.40 129.89 3h3b s VAL 250 Ca 0.51 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3h3b s VAL 250 Cb -0.21 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3h3b s VAL 250 CO 0.20 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.79 3h3b s THR 251 N 1.32 2.87 -0.25 3.92 2.01 -0.20 -1.02 115.64 124.30 3h3b s THR 251 Ca 0.05 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 3h3b s THR 251 Cb -0.13 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.16 3h3b s THR 251 CO -0.10 0.51 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 3h3b s VAL 252 N 0.69 3.44 -2.97 3.82 1.01 -1.26 -1.10 120.40 124.03 3h3b s VAL 252 Ca -0.07 -0.67 0.24 0.00 0.00 0.00 0.00 61.98 61.48 3h3b s VAL 252 Cb -0.15 -2.67 0.21 0.00 0.00 0.00 0.00 36.38 33.76 3h3b s VAL 252 CO 0.02 0.27 1.29 -1.54 0.00 0.00 0.00 175.10 175.13