#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 0.63 2.76 3.03 0.00 -1.26 -4.90 105.19 105.45 1r3b n GLY 15 Ca 0.00 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 1r3b n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 16 N -4.00 1.27 -0.03 1.61 1.04 -1.26 -5.15 113.70 107.18 1r3b s SER 16 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1r3b s SER 16 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1r3b s SER 16 CO 0.00 -0.29 0.02 -0.44 0.98 0.00 0.00 173.24 173.51 1r3b s SER 17 N 2.27 5.30 0.10 7.02 0.01 -1.26 -5.12 113.70 122.01 1r3b s SER 17 Ca 0.04 0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.48 1r3b s SER 17 Cb -0.14 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1r3b s SER 17 CO -0.08 0.31 -0.26 -2.28 0.41 0.00 0.00 173.24 171.34 1r3b s HIS 18 N -1.06 2.25 -0.13 2.43 5.65 -1.26 -5.13 115.29 118.03 1r3b s HIS 18 Ca 0.19 -0.39 -0.02 0.00 0.25 0.00 0.00 55.06 55.08 1r3b s HIS 18 Cb -0.12 -1.26 -0.03 0.00 -1.18 0.00 0.00 32.58 29.99 1r3b s HIS 18 CO 0.09 0.25 -0.05 -1.01 -0.65 0.00 0.00 174.74 173.36 1r3b s HIS 19 N -0.98 2.98 -0.27 3.88 4.02 -1.26 -5.10 115.29 118.57 1r3b s HIS 19 Ca 0.12 -0.27 -0.03 0.00 1.02 0.00 0.00 55.06 55.90 1r3b s HIS 19 Cb -0.10 -1.89 0.02 0.00 -1.02 0.00 0.00 32.58 29.59 1r3b s HIS 19 CO 0.04 0.02 -0.01 -3.38 1.02 0.00 0.00 174.74 172.44 1r3b s HIS 20 N 0.11 3.12 -0.04 1.40 0.00 -1.26 -5.10 115.29 113.52 1r3b s HIS 20 Ca -0.02 -1.41 -0.15 0.00 -3.00 0.00 0.00 55.06 50.49 1r3b s HIS 20 Cb -0.14 -2.13 -0.05 0.00 -4.00 0.00 0.00 32.58 26.26 1r3b s HIS 20 CO 0.03 -0.69 0.39 -1.58 -1.00 0.00 0.00 174.74 171.89 1r3b s HIS 21 N 1.37 3.66 -0.18 0.38 5.65 -1.26 -5.08 115.29 119.84 1r3b s HIS 21 Ca 0.00 0.92 0.01 0.00 0.25 0.00 0.00 55.06 56.24 1r3b s HIS 21 Cb -0.17 -2.32 0.02 0.00 -1.18 0.00 0.00 32.58 28.93 1r3b s HIS 21 CO -0.02 0.54 -0.18 -3.38 -0.65 0.00 0.00 174.74 171.05 1r3b s HIS 22 N -0.66 2.63 0.15 3.88 0.00 -1.26 -5.12 115.29 114.91 1r3b s HIS 22 Ca 0.23 -1.57 -0.05 0.00 -3.00 0.00 0.00 55.06 50.67 1r3b s HIS 22 Cb -0.16 -1.82 -0.06 0.00 -4.00 0.00 0.00 32.58 26.54 1r3b s HIS 22 CO 0.11 -0.77 0.39 -3.38 -1.00 0.00 0.00 174.74 170.09 1r3b s HIS 23 N 1.34 3.47 0.05 0.38 0.00 -1.26 -5.11 115.29 114.15 1r3b s HIS 23 Ca 0.04 0.56 0.04 0.00 -3.00 0.00 0.00 55.06 52.70 1r3b s HIS 23 Cb -0.13 -2.01 -0.02 0.00 -4.00 0.00 0.00 32.58 26.41 1r3b s HIS 23 CO -0.12 0.42 -0.11 0.45 -1.00 0.00 0.00 174.74 174.38 1r3b s SER 24 N -2.46 1.27 0.00 7.38 0.15 -1.26 -5.16 113.70 113.62 1r3b s SER 24 Ca 0.41 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1r3b s SER 24 Cb -0.12 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1r3b s SER 24 CO 0.25 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.36 1r3b n SER 25 N 1.64 0.00 -3.64 5.45 2.88 -1.26 -5.18 113.62 113.50 1r3b n SER 25 Ca -0.20 -0.99 -0.03 0.00 -1.33 0.00 0.00 58.87 56.32 1r3b n SER 25 Cb 0.55 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 1r3b n SER 25 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1r3b s GLY 26 N -0.99 0.08 -0.29 0.46 0.00 -1.26 -5.14 107.32 100.19 1r3b s GLY 26 Ca 0.00 3.19 -0.19 0.00 0.00 0.00 0.00 44.72 47.72 1r3b s GLY 26 CO 0.00 2.46 0.56 0.48 0.00 0.00 0.00 173.10 176.60 1r3b s LEU 27 N 1.06 4.14 -0.38 0.66 2.34 -1.26 -5.03 118.68 120.20 1r3b s LEU 27 Ca -0.06 0.38 -0.29 0.00 0.06 0.00 0.00 54.13 54.22 1r3b s LEU 27 Cb -0.04 -2.70 0.02 0.00 -0.56 0.00 0.00 46.19 42.91 1r3b s LEU 27 CO -0.13 -0.39 1.18 0.68 -1.06 0.00 0.00 176.35 176.63 1r3b s VAL 28 N 2.44 4.25 0.03 1.48 -7.23 -1.26 -4.99 120.40 115.12 1r3b s VAL 28 Ca 0.22 1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 61.45 1r3b s VAL 28 Cb -0.15 -4.41 -0.07 0.00 0.56 0.00 0.00 36.38 32.31 1r3b s VAL 28 CO 0.11 -0.70 1.52 -2.16 -0.31 0.00 0.00 175.10 173.56 1r3b s PRO 29 N 4.20 4.24 -0.05 4.82 0.04 -1.26 -5.01 135.00 141.98 1r3b s PRO 29 Ca 0.50 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 1r3b s PRO 29 Cb -0.11 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1r3b s PRO 29 CO 0.25 -0.66 0.21 1.03 0.04 0.00 0.00 177.00 177.87 1r3b s ARG 30 N 2.56 3.52 0.02 4.56 0.52 -1.26 -5.10 118.95 123.77 1r3b s ARG 30 Ca 0.69 -0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.68 1r3b s ARG 30 Cb -0.35 -3.14 0.01 0.00 0.52 0.00 0.00 34.95 31.99 1r3b s ARG 30 CO 0.29 0.71 0.22 0.20 0.02 0.00 0.00 175.30 176.74 1r3b s GLY 31 N -1.43 -0.02 0.16 -3.53 0.00 -1.26 -5.17 107.32 96.06 1r3b s GLY 31 Ca 0.22 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.72 1r3b s GLY 31 CO 0.12 -0.27 0.39 -0.56 0.00 0.00 0.00 173.10 172.78 1r3b s SER 32 N -1.78 -0.13 -0.01 1.64 0.01 -1.26 -5.17 113.70 107.00 1r3b s SER 32 Ca -0.09 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.62 1r3b s SER 32 Cb -0.03 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1r3b s SER 32 CO -0.01 -0.93 -0.08 0.00 0.41 0.00 0.00 173.24 172.63 1r3b s ALA 33 N -3.88 0.70 0.01 1.44 0.00 -1.26 -5.15 121.76 113.62 1r3b s ALA 33 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1r3b s ALA 33 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1r3b s ALA 33 CO -0.05 0.17 -0.05 0.95 0.00 0.00 0.00 175.76 176.78 1r3b s THR 34 N -0.15 0.32 -0.21 0.00 -4.23 -1.26 -5.15 115.64 104.96 1r3b s THR 34 Ca 0.03 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 1r3b s THR 34 Cb -0.04 -0.34 0.06 0.00 1.34 0.00 0.00 72.50 73.52 1r3b s THR 34 CO -0.00 -0.14 0.54 -0.22 -0.54 0.00 0.00 174.62 174.25 1r3b s LEU 35 N -0.72 -0.34 -0.30 4.79 1.98 -1.26 -5.11 118.68 117.72 1r3b s LEU 35 Ca -0.05 1.15 -0.17 0.00 -2.89 0.00 0.00 54.13 52.17 1r3b s LEU 35 Cb -0.05 1.83 0.17 0.00 0.66 0.00 0.00 46.19 48.80 1r3b s LEU 35 CO -0.00 -0.21 1.19 -0.83 -1.89 0.00 0.00 176.35 174.62 1r3b s GLY 36 N 1.10 -0.12 0.09 7.98 0.00 -1.26 -5.18 107.32 109.93 1r3b s GLY 36 Ca -0.06 3.09 -0.17 0.00 0.00 0.00 0.00 44.72 47.57 1r3b s GLY 36 CO -0.10 3.91 0.42 -0.45 0.00 0.00 0.00 173.10 176.87 1r3b s SER 37 N 2.94 -0.27 0.00 1.64 0.15 -1.26 -5.01 113.70 111.89 1r3b s SER 37 Ca -0.08 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1r3b s SER 37 Cb -0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1r3b s SER 37 CO -0.08 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1r3b n GLY 38 N 0.11 2.01 3.55 9.45 0.00 -1.26 -5.08 105.19 113.98 1r3b n GLY 38 Ca -0.17 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1r3b n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3b s ASN 39 N 2.00 5.93 0.38 1.61 0.01 -1.26 -4.81 114.94 118.80 1r3b s ASN 39 Ca 0.00 -0.60 0.20 0.00 -0.71 0.00 0.00 52.86 51.75 1r3b s ASN 39 Cb 0.00 -2.56 0.50 0.00 0.41 0.00 0.00 41.25 39.61 1r3b s ASN 39 CO 0.00 -1.99 1.65 0.25 -1.51 0.00 0.00 177.10 175.50 1r3b h LEU 40 N 14.34 0.00 -0.91 0.60 5.85 -2.00 -3.23 115.31 129.96 1r3b h LEU 40 Ca -0.09 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1r3b h LEU 40 Cb 1.05 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1r3b h LEU 40 CO 1.30 0.30 0.57 -0.09 -0.34 0.00 0.00 178.44 180.19 1r3b h ARG 41 N 0.00 1.00 0.00 1.25 2.43 -2.02 -0.23 114.38 116.82 1r3b h ARG 41 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1r3b h ARG 41 Cb 1.03 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1r3b h ARG 41 CO 0.04 0.66 -0.12 0.37 -1.51 0.00 0.00 179.97 179.41 1r3b h GLN 42 N 1.03 0.00 0.00 0.20 4.15 -1.88 -2.98 115.11 115.64 1r3b h GLN 42 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1r3b h GLN 42 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1r3b h GLN 42 CO -0.18 0.12 0.00 0.00 -1.93 0.00 0.00 178.83 176.84 1r3b n ALA 43 N -2.15 1.31 0.00 3.38 0.00 -0.10 -2.02 120.51 120.93 1r3b n ALA 43 Ca 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1r3b n ALA 43 Cb 0.43 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b h VAL 44 N 0.00 1.04 -3.33 0.00 2.07 -1.55 -3.46 116.25 111.02 1r3b h VAL 44 Ca 0.00 -2.84 -0.65 0.00 0.82 0.00 0.00 66.70 64.03 1r3b h VAL 44 Cb 0.16 2.54 -0.33 0.00 -1.52 0.00 0.00 31.29 32.14 1r3b h VAL 44 CO 0.00 0.64 -0.87 -0.32 0.02 0.00 0.00 177.57 177.04 1r3b s MET 45 N -2.62 2.83 -0.45 1.57 -2.45 -0.86 -5.01 119.30 112.32 1r3b s MET 45 Ca -0.05 -0.80 -0.34 0.00 -1.25 0.00 0.00 55.69 53.24 1r3b s MET 45 Cb 0.08 -2.19 -0.13 0.00 1.25 0.00 0.00 34.83 33.85 1r3b s MET 45 CO 0.82 0.12 2.27 -0.11 1.05 0.00 0.00 175.02 179.17 1r3b n LEU 46 N 3.67 1.84 -4.38 4.11 7.94 -1.26 -4.77 117.00 124.14 1r3b n LEU 46 Ca -0.20 0.31 -0.52 0.00 -1.11 0.00 0.00 56.01 54.49 1r3b n LEU 46 Cb 0.53 -1.23 -0.10 0.00 0.53 0.00 0.00 43.42 43.15 1r3b n LEU 46 CO 0.27 -0.82 1.85 -2.65 -1.11 0.00 0.00 177.39 174.93 1r3b n PRO 47 N 8.26 0.52 -0.77 1.96 -0.02 -1.26 -4.56 135.00 139.13 1r3b n PRO 47 Ca 0.45 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1r3b n PRO 47 Cb 0.22 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1r3b n PRO 47 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r3b n GLU 48 N 8.02 -1.55 -1.40 -0.52 1.02 -1.26 -3.90 120.64 121.05 1r3b n GLU 48 Ca 0.50 1.02 -0.41 0.00 -0.02 0.00 0.00 57.16 58.25 1r3b n GLU 48 Cb 0.12 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r3b n GLY 49 N -2.30 3.53 3.97 0.62 0.00 -1.26 -4.91 105.19 104.85 1r3b n GLY 49 Ca 0.01 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1r3b n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3b s GLU 50 N 3.95 3.16 0.39 1.61 2.02 -1.25 -5.06 118.70 123.51 1r3b s GLU 50 Ca 0.52 -0.79 -0.27 0.00 0.02 0.00 0.00 54.97 54.45 1r3b s GLU 50 Cb 0.14 -2.74 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 1r3b s GLU 50 CO 0.01 0.01 1.44 0.34 0.02 0.00 0.00 175.26 177.08 1r3b s ASP 51 N -4.16 6.28 0.01 -0.19 2.15 -1.26 -4.94 116.67 114.56 1r3b s ASP 51 Ca 0.44 2.96 -0.25 0.00 0.43 0.00 0.00 52.55 56.13 1r3b s ASP 51 Cb -0.10 -2.66 -0.18 0.00 -0.30 0.00 0.00 42.92 39.68 1r3b s ASP 51 CO 0.33 -0.91 1.34 0.25 -0.17 0.00 0.00 175.17 176.02 1r3b h LEU 52 N 2.86 -0.12 -1.82 -1.34 5.85 -2.00 -2.70 115.31 116.04 1r3b h LEU 52 Ca -0.51 -0.29 0.37 0.00 0.84 0.00 0.00 57.88 58.29 1r3b h LEU 52 Cb 1.24 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1r3b h LEU 52 CO 0.63 0.23 0.89 -1.13 -0.34 0.00 0.00 178.44 178.73 1r3b h ASN 53 N -0.49 0.11 -0.02 1.25 -0.73 -2.00 0.50 115.58 114.19 1r3b h ASN 53 Ca -0.01 0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 1r3b h ASN 53 Cb 0.40 0.01 0.01 0.00 0.27 0.00 0.00 38.32 39.01 1r3b h ASN 53 CO 0.02 -0.00 -0.43 -0.08 -0.37 0.00 0.00 177.43 176.57 1r3b h GLU 54 N 0.08 0.33 -0.46 6.67 4.81 -1.91 -3.03 114.58 121.06 1r3b h GLU 54 Ca 0.64 -0.33 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1r3b h GLU 54 Cb 2.33 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 31.72 1r3b h GLU 54 CO -0.10 1.00 -0.03 2.35 -0.73 0.00 0.00 179.01 181.50 1r3b h TRP 55 N -0.22 -0.09 -0.08 0.92 -0.00 0.29 0.36 115.95 117.12 1r3b h TRP 55 Ca -0.05 0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1r3b h TRP 55 Cb 1.14 0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 30.38 1r3b h TRP 55 CO 0.15 -0.13 -0.10 0.82 -0.00 0.00 0.00 178.44 179.18 1r3b h ILE 56 N 0.08 0.72 -0.42 2.65 2.04 -1.35 -0.64 117.51 120.59 1r3b h ILE 56 Ca 0.23 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1r3b h ILE 56 Cb 0.35 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1r3b h ILE 56 CO -0.41 0.00 0.12 0.00 0.00 0.00 0.00 178.15 177.86 1r3b h ALA 57 N 0.92 1.43 -0.14 1.87 0.00 -1.23 -0.20 119.26 121.92 1r3b h ALA 57 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r3b h ALA 57 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r3b h ALA 57 CO -0.16 0.42 0.06 0.28 0.00 0.00 0.00 179.25 179.85 1r3b h VAL 58 N 0.60 1.14 0.00 0.00 2.07 0.51 -2.91 116.25 117.66 1r3b h VAL 58 Ca 0.14 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1r3b h VAL 58 Cb 0.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1r3b h VAL 58 CO -0.01 0.12 -0.57 0.78 0.02 0.00 0.00 177.57 177.92 1r3b h ASN 59 N 0.08 0.00 0.46 0.57 2.35 -0.91 -2.83 115.58 115.30 1r3b h ASN 59 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1r3b h ASN 59 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1r3b h ASN 59 CO -0.00 0.57 -0.22 0.74 -1.65 0.00 0.00 177.43 176.86 1r3b h THR 60 N 0.00 0.53 -0.17 2.81 2.02 -0.93 0.99 112.91 118.16 1r3b h THR 60 Ca -0.01 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1r3b h THR 60 Cb 1.22 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1r3b h THR 60 CO 0.07 0.04 -0.16 0.58 0.37 0.00 0.00 175.52 176.42 1r3b h VAL 61 N -0.76 1.21 0.05 3.16 2.07 -1.61 0.42 116.25 120.79 1r3b h VAL 61 Ca -0.06 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1r3b h VAL 61 Cb 0.54 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1r3b h VAL 61 CO 0.10 0.29 -0.02 0.44 0.02 0.00 0.00 177.57 178.40 1r3b h ASP 62 N 0.27 -0.06 0.56 0.57 5.19 -1.29 -2.44 116.42 119.22 1r3b h ASP 62 Ca 0.05 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 1r3b h ASP 62 Cb 0.46 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1r3b h ASP 62 CO 0.03 0.44 -0.29 -0.26 -3.12 0.00 0.00 179.24 176.04 1r3b h PHE 63 N -0.58 -0.76 -0.92 4.55 -1.00 0.12 -0.03 116.94 118.31 1r3b h PHE 63 Ca -0.01 -0.01 0.26 0.00 2.81 0.00 0.00 57.97 61.02 1r3b h PHE 63 Cb 0.51 0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 1r3b h PHE 63 CO 0.09 -0.46 0.66 0.35 -1.61 0.00 0.00 178.31 177.34 1r3b h PHE 64 N -0.78 0.08 0.02 -0.55 3.57 -1.00 0.18 116.94 118.45 1r3b h PHE 64 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1r3b h PHE 64 Cb 0.61 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1r3b h PHE 64 CO -0.05 0.02 -0.01 -0.97 -2.23 0.00 0.00 178.31 175.06 1r3b h ASN 65 N 0.05 -0.02 -0.70 0.41 -1.24 -0.86 -3.07 115.58 110.14 1r3b h ASN 65 Ca 0.45 -0.71 0.05 0.00 0.71 0.00 0.00 56.30 56.80 1r3b h ASN 65 Cb 1.69 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.71 1r3b h ASN 65 CO -0.03 0.79 0.46 -0.61 -1.29 0.00 0.00 177.43 176.75 1r3b h GLN 66 N -0.93 0.75 -0.37 6.67 5.75 -0.11 -0.70 115.11 126.16 1r3b h GLN 66 Ca -0.00 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 1r3b h GLN 66 Cb 0.73 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1r3b h GLN 66 CO 0.00 0.49 -0.22 0.82 -2.65 0.00 0.00 178.83 177.28 1r3b h ILE 67 N 0.77 1.27 -0.16 2.39 2.04 -1.11 -2.30 117.51 120.40 1r3b h ILE 67 Ca 0.30 -1.31 -0.21 0.00 1.00 0.00 0.00 64.86 64.63 1r3b h ILE 67 Cb 0.19 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1r3b h ILE 67 CO -0.09 0.43 -0.74 -1.13 0.00 0.00 0.00 178.15 176.62 1r3b h ASN 68 N 0.63 0.89 0.39 1.72 -0.00 -1.22 -2.89 115.58 115.09 1r3b h ASN 68 Ca 0.09 -0.56 -0.05 0.00 -0.00 0.00 0.00 56.30 55.77 1r3b h ASN 68 Cb 0.71 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.76 1r3b h ASN 68 CO 0.05 1.36 -0.26 -0.03 -0.00 0.00 0.00 177.43 178.55 1r3b h MET 69 N 0.53 0.00 0.02 6.67 4.05 -1.07 -1.71 114.93 123.41 1r3b h MET 69 Ca -0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1r3b h MET 69 Cb 1.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 1r3b h MET 69 CO 0.15 0.26 -0.01 -0.07 0.23 0.00 0.00 176.91 177.47 1r3b h LEU 70 N 0.00 -0.02 -1.77 3.39 3.38 -1.36 -3.13 115.31 115.79 1r3b h LEU 70 Ca -0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1r3b h LEU 70 Cb 0.53 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1r3b h LEU 70 CO 0.03 0.69 -0.16 0.22 0.09 0.00 0.00 178.44 179.31 1r3b h TYR 71 N -0.76 0.00 0.00 1.13 5.03 -1.46 -2.40 116.97 118.52 1r3b h TYR 71 Ca -0.00 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1r3b h TYR 71 Cb 0.70 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 1r3b h TYR 71 CO 0.17 0.16 -0.46 0.78 -1.32 0.00 0.00 178.16 177.48 1r3b h GLY 72 N 0.92 0.00 1.65 1.82 0.00 -1.34 0.46 103.07 106.59 1r3b h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r3b h GLY 72 CO 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.23 1r3b h THR 73 N 0.00 0.00 0.00 4.70 1.03 -1.38 -3.33 112.91 113.93 1r3b h THR 73 Ca -0.00 -0.90 -0.00 0.00 -0.01 0.00 0.00 66.41 65.49 1r3b h THR 73 Cb 0.87 1.72 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1r3b h THR 73 CO 0.06 0.00 -1.69 0.00 -0.01 0.00 0.00 175.52 173.88 1r3b n ILE 74 N -2.81 0.02 -0.24 0.00 0.00 -1.10 -4.53 119.36 110.70 1r3b n ILE 74 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 62.75 62.37 1r3b n ILE 74 Cb 0.52 0.14 0.05 0.00 0.00 0.00 0.00 39.64 40.34 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r3b h THR 75 N 0.00 1.20 -0.52 9.51 1.03 -0.18 -2.02 112.91 121.93 1r3b h THR 75 Ca -0.01 -0.46 0.15 0.00 -0.01 0.00 0.00 66.41 66.09 1r3b h THR 75 Cb 0.71 0.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.05 1r3b h THR 75 CO 0.00 0.21 0.52 1.05 -0.01 0.00 0.00 175.52 177.29 1r3b h GLU 76 N 0.92 0.00 0.00 0.00 4.11 -1.80 0.50 114.58 118.31 1r3b h GLU 76 Ca 0.24 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.50 1r3b h GLU 76 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1r3b h GLU 76 CO -0.04 0.00 -0.84 0.74 0.07 0.00 0.00 179.01 178.94 1r3b h PHE 77 N 0.00 0.00 -1.89 2.06 0.04 -1.65 -3.44 116.94 112.06 1r3b h PHE 77 Ca 0.25 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.42 1r3b h PHE 77 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1r3b h PHE 77 CO 0.00 0.81 1.41 0.00 -0.60 0.00 0.00 178.31 179.93 1r3b s THR 79 N 7.24 1.89 0.37 0.00 -1.32 -1.26 -5.05 115.64 117.51 1r3b s THR 79 Ca 1.00 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1r3b s THR 79 Cb -0.47 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 1r3b s THR 79 CO 0.40 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 174.02 1r3b n GLU 80 N -1.38 -2.47 -0.18 7.08 2.13 -1.26 -4.39 120.64 120.17 1r3b n GLU 80 Ca -0.05 1.81 -0.09 0.00 0.66 0.00 0.00 57.16 59.49 1r3b n GLU 80 Cb 0.65 -3.05 0.01 0.00 0.27 0.00 0.00 31.44 29.32 1r3b n GLU 80 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1r3b h SER 81 N -1.28 0.86 -5.05 4.31 0.87 -2.04 -3.49 113.55 107.74 1r3b h SER 81 Ca -0.05 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1r3b h SER 81 Cb 1.30 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.95 1r3b h SER 81 CO 0.03 0.94 -1.13 0.35 -0.53 0.00 0.00 176.83 176.49 1r3b n THR 82 N -4.34-10.58 -1.45 2.23 -2.24 -1.26 -4.86 114.28 91.78 1r3b n THR 82 Ca 0.01 2.33 0.19 0.00 -2.27 0.00 0.00 64.05 64.31 1r3b n THR 82 Cb 0.30 -5.55 -0.06 0.00 -2.10 0.00 0.00 70.33 62.91 1r3b n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n SER 84 N -4.29 -0.92 -4.74 0.00 3.41 -1.26 -5.06 113.62 100.76 1r3b n SER 84 Ca -0.02 -1.76 -0.41 0.00 -0.26 0.00 0.00 58.87 56.42 1r3b n SER 84 Cb 0.67 0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 1r3b n SER 84 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r3b s VAL 85 N 0.02 4.37 0.12 -3.33 0.11 -1.26 -5.06 120.40 115.37 1r3b s VAL 85 Ca 0.01 2.06 0.05 0.00 -2.93 0.00 0.00 61.98 61.17 1r3b s VAL 85 Cb 0.06 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1r3b s VAL 85 CO -0.02 0.38 -0.12 -0.04 -3.33 0.00 0.00 175.10 171.97 1r3b s MET 86 N -0.40 0.98 -0.28 1.54 -1.94 -1.26 -5.06 119.30 112.87 1r3b s MET 86 Ca 0.45 -1.26 -0.06 0.00 -1.71 0.00 0.00 55.69 53.11 1r3b s MET 86 Cb -0.24 -0.72 0.01 0.00 2.01 0.00 0.00 34.83 35.89 1r3b s MET 86 CO 0.30 0.12 0.05 -1.12 -0.01 0.00 0.00 175.02 174.36 1r3b s SER 87 N -2.61 4.94 -0.14 3.03 0.01 -1.26 -5.07 113.70 112.60 1r3b s SER 87 Ca 0.10 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.59 1r3b s SER 87 Cb -0.03 -1.84 0.06 0.00 0.21 0.00 0.00 66.02 64.43 1r3b s SER 87 CO 0.02 -0.17 0.30 0.00 0.41 0.00 0.00 173.24 173.80 1r3b s ALA 88 N 1.47 -0.72 0.00 1.44 0.00 -0.48 -3.59 121.76 119.88 1r3b s ALA 88 Ca 0.02 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1r3b s ALA 88 Cb -0.17 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1r3b s ALA 88 CO 0.01 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1r3b n GLY 89 N 4.78 0.87 0.18 0.00 0.00 -1.25 -4.77 105.19 105.01 1r3b n GLY 89 Ca -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 46.02 43.65 1r3b n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b h PRO 90 N 7.89 0.27 0.73 1.61 0.13 -2.00 -3.28 132.00 137.35 1r3b h PRO 90 Ca 0.00 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1r3b h PRO 90 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 1r3b h PRO 90 CO 0.00 0.73 -0.35 -0.09 -0.23 0.00 0.00 178.00 178.06 1r3b h ARG 91 N 0.22 -0.95 -2.19 0.86 2.43 -2.03 -3.44 114.38 109.28 1r3b h ARG 91 Ca 0.01 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1r3b h ARG 91 Cb 0.99 0.22 -0.27 0.00 -0.42 0.00 0.00 29.97 30.49 1r3b h ARG 91 CO 0.08 -0.63 -0.37 -0.47 -1.51 0.00 0.00 179.97 177.07 1r3b s TYR 92 N -6.03 -0.92 0.07 2.20 5.04 -1.24 -5.12 117.35 111.35 1r3b s TYR 92 Ca -0.18 1.43 -0.05 0.00 -2.44 0.00 0.00 57.07 55.83 1r3b s TYR 92 Cb 0.03 0.30 -0.02 0.00 0.35 0.00 0.00 41.96 42.62 1r3b s TYR 92 CO 0.62 -0.59 0.08 -2.00 -1.34 0.00 0.00 175.55 172.32 1r3b s GLU 93 N 2.64 0.73 -0.27 4.97 2.12 -1.24 -1.39 118.70 126.27 1r3b s GLU 93 Ca 0.03 -1.09 -0.09 0.00 0.36 0.00 0.00 54.97 54.19 1r3b s GLU 93 Cb -0.13 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 1r3b s GLU 93 CO -0.15 -0.19 0.12 1.52 -0.54 0.00 0.00 175.26 176.02 1r3b s TYR 94 N -3.89 3.14 -0.38 5.30 1.13 -1.24 -4.96 117.35 116.45 1r3b s TYR 94 Ca 0.06 -0.35 -0.04 0.00 -1.41 0.00 0.00 57.07 55.33 1r3b s TYR 94 Cb 0.06 -2.30 0.21 0.00 -1.10 0.00 0.00 41.96 38.83 1r3b s TYR 94 CO -0.10 -0.35 1.02 -3.38 -2.51 0.00 0.00 175.55 170.23 1r3b s HIS 95 N 1.65 -0.61 0.09 -3.49 -3.43 -1.26 -5.04 115.29 103.19 1r3b s HIS 95 Ca 0.06 -0.21 0.03 0.00 -0.80 0.00 0.00 55.06 54.14 1r3b s HIS 95 Cb -0.16 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.07 1r3b s HIS 95 CO 0.06 -0.48 0.09 1.67 -2.00 0.00 0.00 174.74 174.08 1r3b s TRP 96 N 0.97 3.20 0.00 0.38 -2.14 -1.26 -4.91 118.94 115.19 1r3b s TRP 96 Ca 0.25 0.08 0.00 0.00 2.66 0.00 0.00 56.10 59.09 1r3b s TRP 96 Cb 0.10 -1.62 0.00 0.00 -3.10 0.00 0.00 33.47 28.85 1r3b s TRP 96 CO -0.09 0.52 0.00 0.00 -2.66 0.00 0.00 176.95 174.72 1r3b n ALA 97 N 0.38 0.00 -2.63 2.67 0.00 -1.26 -4.86 120.51 114.81 1r3b n ALA 97 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1r3b n ALA 97 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1r3b n ALA 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r3b n ASP 98 N -1.27 -6.79 0.00 0.00 2.03 -1.26 -4.60 116.55 104.66 1r3b n ASP 98 Ca 0.00 1.35 0.00 0.00 0.52 0.00 0.00 54.79 56.66 1r3b n ASP 98 Cb 0.00 -5.08 0.00 0.00 -0.72 0.00 0.00 41.12 35.32 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r3b n GLY 99 N 0.78 1.49 3.68 0.27 0.00 -1.26 -4.88 105.19 105.27 1r3b n GLY 99 Ca -0.05 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1r3b n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r3b s THR 100 N 0.00 2.74 0.05 2.61 -4.23 -1.26 -4.95 115.64 110.59 1r3b s THR 100 Ca 0.00 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.36 1r3b s THR 100 Cb 0.00 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1r3b s THR 100 CO 0.00 -0.00 0.94 0.54 -0.54 0.00 0.00 174.62 175.56 1r3b s ASN 101 N 2.98 7.41 -0.01 3.99 2.20 -1.26 -4.85 114.94 125.40 1r3b s ASN 101 Ca 0.81 1.69 -0.14 0.00 -0.94 0.00 0.00 52.86 54.28 1r3b s ASN 101 Cb -0.44 -2.57 -0.08 0.00 -2.00 0.00 0.00 41.25 36.17 1r3b s ASN 101 CO 0.36 -0.14 0.78 0.40 -2.94 0.00 0.00 177.10 175.56 1r3b h ILE 102 N 4.38 0.00 -2.69 0.54 5.03 -1.92 -3.49 117.51 119.36 1r3b h ILE 102 Ca -0.42 -0.27 0.10 0.00 -0.12 0.00 0.00 64.86 64.15 1r3b h ILE 102 Cb 1.21 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.96 1r3b h ILE 102 CO 0.73 0.00 0.41 -0.75 -0.68 0.00 0.00 178.15 177.86 1r3b s LYS 103 N -3.38 1.61 0.79 2.37 2.20 -1.26 -5.16 119.74 116.91 1r3b s LYS 103 Ca -0.07 -0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 54.42 1r3b s LYS 103 Cb 0.01 0.49 0.06 0.00 -1.51 0.00 0.00 37.83 36.88 1r3b s LYS 103 CO 0.22 -0.75 1.14 0.36 -0.36 0.00 0.00 175.35 175.96 1r3b n LYS 104 N -0.55 0.29 -1.98 4.03 2.85 -1.26 -4.91 118.16 116.64 1r3b n LYS 104 Ca -0.05 0.17 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 1r3b n LYS 104 Cb 0.60 -2.39 -0.03 0.00 -0.65 0.00 0.00 35.03 32.56 1r3b n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1r3b s PRO 105 N -3.90 4.24 0.22 -1.58 0.04 -1.26 -5.02 135.00 127.73 1r3b s PRO 105 Ca 0.74 2.31 0.10 0.00 0.04 0.00 0.00 61.00 64.19 1r3b s PRO 105 Cb -0.31 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1r3b s PRO 105 CO 0.50 -0.56 -0.18 0.42 0.04 0.00 0.00 177.00 177.23 1r3b s ILE 106 N 0.95 2.03 -0.24 0.56 1.01 -1.26 -5.09 121.20 119.16 1r3b s ILE 106 Ca 0.68 -2.18 -0.29 0.00 0.00 0.00 0.00 60.65 58.85 1r3b s ILE 106 Cb -0.43 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1r3b s ILE 106 CO 0.33 -0.43 1.59 -1.59 0.00 0.00 0.00 174.94 174.85 1r3b s LYS 107 N -3.31 3.77 -0.25 2.79 -2.85 -1.26 -4.98 119.74 113.64 1r3b s LYS 107 Ca 0.23 1.59 -0.05 0.00 -1.00 0.00 0.00 55.97 56.73 1r3b s LYS 107 Cb -0.04 -4.03 -0.00 0.00 -2.06 0.00 0.00 37.83 31.69 1r3b s LYS 107 CO 0.09 -1.33 0.02 0.00 0.10 0.00 0.00 175.35 174.24 1r3b n SER 109 N 4.84 0.00 0.32 0.00 3.41 -1.26 -4.62 113.62 116.31 1r3b n SER 109 Ca -0.16 -0.74 -0.15 0.00 -0.26 0.00 0.00 58.87 57.55 1r3b n SER 109 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r3b h ALA 110 N -1.17 -1.17 0.00 7.33 0.00 -1.94 0.79 119.26 123.10 1r3b h ALA 110 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1r3b h ALA 110 Cb 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1r3b h ALA 110 CO 0.00 -1.15 -0.08 -1.00 0.00 0.00 0.00 179.25 177.02 1r3b h PRO 111 N -0.93 0.00 0.07 0.00 0.13 -1.96 -2.46 132.00 126.86 1r3b h PRO 111 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.79 1r3b h PRO 111 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1r3b h PRO 111 CO 0.06 0.08 -1.28 -0.22 -0.23 0.00 0.00 178.00 176.40 1r3b h LYS 112 N 0.00 0.16 -0.49 0.86 1.63 -1.83 -3.30 116.57 113.60 1r3b h LYS 112 Ca -0.00 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.54 1r3b h LYS 112 Cb 0.29 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1r3b h LYS 112 CO 0.01 1.06 0.33 -0.92 -3.45 0.00 0.00 179.45 176.48 1r3b h TYR 113 N 0.04 0.59 0.54 1.91 5.03 0.11 -2.20 116.97 123.00 1r3b h TYR 113 Ca -0.14 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.16 1r3b h TYR 113 Cb 1.92 -0.20 0.01 0.00 1.55 0.00 0.00 36.73 40.01 1r3b h TYR 113 CO 0.04 0.36 -0.26 0.82 -1.32 0.00 0.00 178.16 177.80 1r3b h ILE 114 N 0.63 0.47 -0.66 1.81 5.03 -1.62 0.74 117.51 123.91 1r3b h ILE 114 Ca 0.19 -0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.03 1r3b h ILE 114 Cb -0.01 0.47 -0.08 0.00 -3.03 0.00 0.00 36.82 34.17 1r3b h ILE 114 CO -0.04 0.00 0.25 -0.78 -0.68 0.00 0.00 178.15 176.90 1r3b h ASP 115 N -0.73 0.24 -0.30 1.72 1.82 -1.59 0.77 116.42 118.35 1r3b h ASP 115 Ca -0.07 0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.54 1r3b h ASP 115 Cb 0.56 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1r3b h ASP 115 CO 0.12 0.12 -0.24 1.88 -1.61 0.00 0.00 179.24 179.52 1r3b h TYR 116 N 0.42 0.89 -0.30 0.28 0.05 -1.15 0.61 116.97 117.78 1r3b h TYR 116 Ca 0.35 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1r3b h TYR 116 Cb 0.46 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1r3b h TYR 116 CO -0.17 0.94 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.69 1r3b h LEU 117 N 0.68 0.62 -0.11 3.88 3.38 0.23 -2.60 115.31 121.38 1r3b h LEU 117 Ca 0.09 -0.39 -0.17 0.00 0.09 0.00 0.00 57.88 57.49 1r3b h LEU 117 Cb 0.76 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1r3b h LEU 117 CO 0.06 0.88 -0.83 0.24 0.09 0.00 0.00 178.44 178.88 1r3b h MET 118 N 0.37 0.00 0.69 1.13 2.86 0.54 -3.23 114.93 117.29 1r3b h MET 118 Ca 0.07 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1r3b h MET 118 Cb 0.63 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.30 1r3b h MET 118 CO 0.04 0.83 -0.33 1.15 1.06 0.00 0.00 176.91 179.66 1r3b h THR 119 N 0.00 0.28 -0.99 2.22 2.02 0.29 0.19 112.91 116.92 1r3b h THR 119 Ca -0.01 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.19 1r3b h THR 119 Cb 1.59 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 68.22 1r3b h THR 119 CO 0.11 0.01 0.61 -0.25 0.37 0.00 0.00 175.52 176.37 1r3b h TRP 120 N -1.02 1.10 -0.03 3.16 7.01 -1.58 0.39 115.95 124.98 1r3b h TRP 120 Ca -0.09 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.79 1r3b h TRP 120 Cb 0.73 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 1r3b h TRP 120 CO -0.01 0.37 -0.67 0.28 -2.79 0.00 0.00 178.44 175.62 1r3b h VAL 121 N 0.90 1.43 0.00 2.65 2.07 -1.54 -3.03 116.25 118.73 1r3b h VAL 121 Ca 0.52 -2.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1r3b h VAL 121 Cb 0.62 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1r3b h VAL 121 CO -0.31 0.63 -0.01 1.56 0.02 0.00 0.00 177.57 179.47 1r3b h GLN 122 N 0.11 0.00 -0.42 1.57 1.08 0.13 -3.24 115.11 114.34 1r3b h GLN 122 Ca -0.01 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1r3b h GLN 122 Cb 1.19 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 1r3b h GLN 122 CO 0.10 0.01 0.13 0.22 -0.95 0.00 0.00 178.83 178.33 1r3b h ASP 123 N 0.00 0.10 -0.19 1.46 3.58 -0.88 0.31 116.42 120.80 1r3b h ASP 123 Ca -0.00 0.06 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 1r3b h ASP 123 Cb 0.81 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.93 1r3b h ASP 123 CO 0.00 0.09 -0.68 0.06 -2.88 0.00 0.00 179.24 175.83 1r3b h GLN 124 N 0.28 0.80 0.00 0.28 3.07 -1.72 0.91 115.11 118.73 1r3b h GLN 124 Ca 0.20 -0.61 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1r3b h GLN 124 Cb 0.21 0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1r3b h GLN 124 CO -0.23 1.22 0.00 -0.07 0.09 0.00 0.00 178.83 179.85 1r3b h LEU 125 N 0.55 0.00 -1.46 0.06 3.38 -1.45 0.14 115.31 116.53 1r3b h LEU 125 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1r3b h LEU 125 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1r3b h LEU 125 CO 0.14 0.00 -0.04 -0.67 0.09 0.00 0.00 178.44 177.97 1r3b n ASP 126 N -2.90 2.09 -3.85 -0.43 -0.08 0.11 -4.79 116.55 106.70 1r3b n ASP 126 Ca -0.02 -1.55 -0.30 0.00 -1.51 0.00 0.00 54.79 51.42 1r3b n ASP 126 Cb 0.12 0.06 -0.14 0.00 2.34 0.00 0.00 41.12 43.51 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r3b s ASP 127 N -1.25 4.05 0.61 1.67 1.11 0.28 -4.94 116.67 118.20 1r3b s ASP 127 Ca 0.16 -2.79 0.38 0.00 0.18 0.00 0.00 52.55 50.48 1r3b s ASP 127 Cb 0.12 -1.37 1.99 0.00 1.07 0.00 0.00 42.92 44.73 1r3b s ASP 127 CO 0.20 -0.25 2.23 -0.08 1.18 0.00 0.00 175.17 178.45 1r3b h GLU 128 N 6.67 0.00 -0.93 8.23 4.81 -1.87 -2.71 114.58 128.77 1r3b h GLU 128 Ca -0.05 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.35 1r3b h GLU 128 Cb 0.91 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.21 1r3b h GLU 128 CO 0.59 0.02 0.60 1.79 -0.73 0.00 0.00 179.01 181.28 1r3b h THR 129 N 0.00 0.76 -0.67 0.32 1.35 -1.92 0.29 112.91 113.05 1r3b h THR 129 Ca -0.00 -0.22 -0.22 0.00 -0.55 0.00 0.00 66.41 65.42 1r3b h THR 129 Cb 0.17 0.05 -0.13 0.00 -1.73 0.00 0.00 68.15 66.51 1r3b h THR 129 CO 0.00 0.12 0.27 0.00 -0.25 0.00 0.00 175.52 175.67 1r3b n LEU 130 N -4.60 5.61 -3.09 3.87 -0.00 -1.02 -4.47 117.00 113.29 1r3b n LEU 130 Ca 0.20 -2.92 -0.22 0.00 -0.00 0.00 0.00 56.01 53.07 1r3b n LEU 130 Cb 0.56 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 1r3b n LEU 130 CO 0.28 0.77 -0.08 0.49 -0.00 0.00 0.00 177.39 178.84 1r3b n PHE 131 N -0.17 1.72 -1.64 1.47 3.72 0.10 -4.44 117.46 118.22 1r3b n PHE 131 Ca 0.37 -3.89 0.00 0.00 -0.05 0.00 0.00 57.45 53.88 1r3b n PHE 131 Cb 1.28 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1r3b n PHE 131 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r3b n PRO 132 N 0.09 0.92 0.00 -1.08 -0.04 -1.26 -4.98 135.00 128.66 1r3b n PRO 132 Ca 0.27 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1r3b n PRO 132 Cb 0.55 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1r3b n PRO 132 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r3b n SER 133 N -2.08 0.52 -1.37 3.54 7.64 -1.26 -4.61 113.62 115.99 1r3b n SER 133 Ca 0.00 0.07 0.16 0.00 1.01 0.00 0.00 58.87 60.12 1r3b n SER 133 Cb 0.00 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1r3b n SER 133 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r3b n LYS 134 N -2.99 -2.93 -3.95 1.43 4.76 -1.26 -3.99 118.16 109.23 1r3b n LYS 134 Ca -0.02 2.29 -0.34 0.00 -2.87 0.00 0.00 58.31 57.37 1r3b n LYS 134 Cb 0.06 -3.53 -0.14 0.00 -1.84 0.00 0.00 35.03 29.58 1r3b n LYS 134 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1r3b s ILE 135 N -3.79 2.88 0.00 -0.18 -5.25 -1.26 -4.79 121.20 108.81 1r3b s ILE 135 Ca 0.00 -1.18 0.00 0.00 -0.99 0.00 0.00 60.65 58.48 1r3b s ILE 135 Cb 0.00 -2.54 0.00 0.00 2.95 0.00 0.00 42.46 42.87 1r3b s ILE 135 CO 0.00 0.08 0.00 0.61 -1.79 0.00 0.00 174.94 173.84 1r3b n GLY 136 N 4.64 2.13 3.76 6.27 0.00 -1.26 -5.03 105.19 115.69 1r3b n GLY 136 Ca -0.15 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 1r3b n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r3b s VAL 137 N 0.00 2.58 -0.82 1.61 -7.23 -1.26 -4.91 120.40 110.37 1r3b s VAL 137 Ca 0.00 0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 60.33 1r3b s VAL 137 Cb 0.00 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1r3b s VAL 137 CO 0.00 -0.03 1.65 -2.16 -0.31 0.00 0.00 175.10 174.25 1r3b s PRO 138 N -3.01 2.98 0.00 4.82 0.04 -1.26 -4.78 135.00 133.78 1r3b s PRO 138 Ca 0.72 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1r3b s PRO 138 Cb -0.33 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1r3b s PRO 138 CO 0.38 -2.65 0.00 1.19 0.04 0.00 0.00 177.00 175.96 1r3b n PHE 139 N 11.36 0.00 0.33 0.56 3.01 -1.26 0.13 117.46 131.59 1r3b n PHE 139 Ca 0.25 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.71 1r3b n PHE 139 Cb 0.50 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.08 1r3b n PHE 139 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1r3b n PRO 140 N 0.00 2.09 -1.23 -1.08 -0.04 -1.26 -4.66 135.00 128.82 1r3b n PRO 140 Ca 0.00 -1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 62.33 1r3b n PRO 140 Cb 0.00 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1r3b n PRO 140 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r3b n LYS 141 N 0.14 -0.89 -0.82 0.54 4.81 0.35 -4.74 118.16 117.55 1r3b n LYS 141 Ca 0.12 0.70 -0.05 0.00 -0.87 0.00 0.00 58.31 58.22 1r3b n LYS 141 Cb 0.66 -4.64 -0.05 0.00 0.02 0.00 0.00 35.03 31.03 1r3b n LYS 141 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1r3b n ASN 142 N -0.08 -0.67 -0.31 3.14 5.15 -1.01 -4.82 115.26 116.67 1r3b n ASN 142 Ca -0.08 -1.60 -0.05 0.00 -0.60 0.00 0.00 54.58 52.26 1r3b n ASN 142 Cb 0.34 0.20 0.07 0.00 -0.53 0.00 0.00 39.78 39.87 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1r3b h PHE 143 N 0.00 1.13 -0.16 1.20 3.57 -1.79 0.85 116.94 121.74 1r3b h PHE 143 Ca -0.38 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 60.95 1r3b h PHE 143 Cb 1.23 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1r3b h PHE 143 CO -0.20 0.78 -0.46 0.52 -2.23 0.00 0.00 178.31 176.72 1r3b h MET 144 N 1.15 0.60 -0.34 1.11 2.86 -1.93 0.42 114.93 118.81 1r3b h MET 144 Ca 0.29 -0.43 -0.15 0.00 -2.06 0.00 0.00 59.70 57.35 1r3b h MET 144 Cb 0.02 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1r3b h MET 144 CO -0.05 1.05 -0.40 1.03 1.06 0.00 0.00 176.91 179.60 1r3b h SER 145 N 0.26 0.87 -0.19 1.22 0.87 -1.89 -2.12 113.55 112.58 1r3b h SER 145 Ca -0.01 -0.40 -0.12 0.00 -1.23 0.00 0.00 61.79 60.04 1r3b h SER 145 Cb 1.08 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1r3b h SER 145 CO 0.10 1.16 -0.33 1.62 -0.53 0.00 0.00 176.83 178.84 1r3b h VAL 146 N 0.67 1.34 -0.26 2.23 3.04 0.70 -1.79 116.25 122.17 1r3b h VAL 146 Ca 0.05 -1.56 -0.01 0.00 -1.01 0.00 0.00 66.70 64.17 1r3b h VAL 146 Cb 0.96 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1r3b h VAL 146 CO 0.09 0.48 0.10 0.00 -1.01 0.00 0.00 177.57 177.23 1r3b h ALA 147 N 0.60 1.69 -0.03 3.17 0.00 -0.89 0.54 119.26 124.33 1r3b h ALA 147 Ca 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1r3b h ALA 147 Cb 0.92 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1r3b h ALA 147 CO 0.08 0.25 -0.94 0.87 0.00 0.00 0.00 179.25 179.50 1r3b h LYS 148 N 0.36 0.61 -0.06 0.00 1.57 -1.30 -1.33 116.57 116.42 1r3b h LYS 148 Ca 0.09 -0.61 -0.17 0.00 -1.87 0.00 0.00 60.65 58.10 1r3b h LYS 148 Cb 0.08 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1r3b h LYS 148 CO -0.01 1.22 -0.70 1.15 -0.57 0.00 0.00 179.45 180.54 1r3b h THR 149 N 0.36 1.40 -0.06 -0.16 2.02 -0.57 -2.95 112.91 112.96 1r3b h THR 149 Ca -0.09 -2.16 -0.06 0.00 0.77 0.00 0.00 66.41 64.86 1r3b h THR 149 Cb 1.58 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1r3b h THR 149 CO 0.18 0.64 -0.21 -0.29 0.37 0.00 0.00 175.52 176.21 1r3b h ILE 150 N 0.20 1.45 -0.79 3.11 2.10 0.04 -2.74 117.51 120.88 1r3b h ILE 150 Ca -0.02 -1.63 0.12 0.00 1.08 0.00 0.00 64.86 64.42 1r3b h ILE 150 Cb 1.26 2.35 -0.09 0.00 -1.09 0.00 0.00 36.82 39.26 1r3b h ILE 150 CO 0.11 0.46 0.39 -0.07 -1.08 0.00 0.00 178.15 177.95 1r3b h LEU 151 N -0.29 0.47 -0.61 2.19 4.07 -1.29 -1.05 115.31 118.81 1r3b h LEU 151 Ca -0.01 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 1r3b h LEU 151 Cb 0.85 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 1r3b h LEU 151 CO 0.04 0.22 0.14 0.11 -1.08 0.00 0.00 178.44 177.88 1r3b h LYS 152 N 0.59 0.97 0.11 1.13 1.57 -1.55 -0.39 116.57 119.01 1r3b h LYS 152 Ca 0.41 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1r3b h LYS 152 Cb 0.54 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1r3b h LYS 152 CO -0.33 0.89 -0.08 0.00 -0.57 0.00 0.00 179.45 179.36 1r3b h ARG 153 N 0.88 -0.18 0.02 3.15 -0.00 -0.91 -2.48 114.38 114.86 1r3b h ARG 153 Ca 0.19 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.68 1r3b h ARG 153 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.37 1r3b h ARG 153 CO 0.00 -0.12 -0.01 -0.07 0.00 0.00 0.00 179.97 179.77 1r3b h LEU 154 N -0.19 -0.02 -1.63 3.04 -0.00 -1.26 -2.87 115.31 112.38 1r3b h LEU 154 Ca -0.01 -0.24 0.34 0.00 -0.00 0.00 0.00 57.88 57.97 1r3b h LEU 154 Cb 0.16 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 40.74 1r3b h LEU 154 CO 0.00 0.23 0.81 0.15 -0.00 0.00 0.00 178.44 179.64 1r3b h PHE 155 N -0.27 0.37 0.00 1.13 3.57 -1.01 1.08 116.94 121.81 1r3b h PHE 155 Ca -0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1r3b h PHE 155 Cb 0.26 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1r3b h PHE 155 CO 0.01 -0.02 -0.08 -0.09 -2.23 0.00 0.00 178.31 175.91 1r3b h ARG 156 N 0.18 0.00 -0.94 1.11 9.65 -1.21 -2.37 114.38 120.80 1r3b h ARG 156 Ca 0.65 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.72 1r3b h ARG 156 Cb 2.10 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.61 1r3b h ARG 156 CO -0.20 0.08 0.60 0.28 2.80 0.00 0.00 179.97 183.53 1r3b h VAL 157 N 0.00 0.71 -0.02 0.20 2.07 0.11 0.15 116.25 119.48 1r3b h VAL 157 Ca -0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1r3b h VAL 157 Cb 0.15 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1r3b h VAL 157 CO 0.01 0.10 -0.03 1.88 0.02 0.00 0.00 177.57 179.56 1r3b h TYR 158 N 0.57 0.06 -0.32 1.57 -1.99 -1.55 -2.26 116.97 113.04 1r3b h TYR 158 Ca 0.50 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.23 1r3b h TYR 158 Cb 1.02 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 1r3b h TYR 158 CO -0.00 0.58 0.22 0.00 -0.00 0.00 0.00 178.16 178.96 1r3b h ALA 159 N 0.47 1.83 -0.22 3.88 0.00 -1.35 0.35 119.26 124.23 1r3b h ALA 159 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1r3b h ALA 159 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1r3b h ALA 159 CO 0.01 0.14 -0.44 1.25 0.00 0.00 0.00 179.25 180.21 1r3b h HIS 160 N 0.38 0.87 -0.02 0.00 6.17 -0.70 -2.91 115.15 118.93 1r3b h HIS 160 Ca 0.13 -0.31 -0.24 0.00 0.71 0.00 0.00 60.37 60.65 1r3b h HIS 160 Cb 0.04 -0.16 0.02 0.00 2.52 0.00 0.00 27.41 29.82 1r3b h HIS 160 CO -0.00 1.09 -0.94 0.97 0.71 0.00 0.00 177.93 179.76 1r3b h ILE 161 N 0.39 1.30 0.27 6.26 -0.00 -0.87 -2.90 117.51 121.95 1r3b h ILE 161 Ca 0.01 -2.17 0.01 0.00 -0.00 0.00 0.00 64.86 62.70 1r3b h ILE 161 Cb 1.04 2.35 -0.03 0.00 -0.00 0.00 0.00 36.82 40.18 1r3b h ILE 161 CO 0.10 0.67 -0.32 1.88 -0.00 0.00 0.00 178.15 180.47 1r3b h TYR 162 N 0.35 -0.87 0.00 2.19 0.05 -0.38 1.07 116.97 119.38 1r3b h TYR 162 Ca -0.11 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1r3b h TYR 162 Cb 1.60 0.35 0.00 0.00 1.01 0.00 0.00 36.73 39.68 1r3b h TYR 162 CO 0.11 -0.45 0.00 1.12 -1.05 0.00 0.00 178.16 177.89 1r3b h HIS 163 N -0.64 0.00 0.00 4.88 2.07 -1.63 -2.47 115.15 117.36 1r3b h HIS 163 Ca -0.00 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 1r3b h HIS 163 Cb 0.60 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.52 1r3b h HIS 163 CO -0.22 0.00 -2.30 0.94 -3.07 0.00 0.00 177.93 173.28 1r3b n GLN 164 N -2.52 0.84 -2.75 5.12 -0.06 -0.96 -4.85 117.38 112.21 1r3b n GLN 164 Ca 0.03 0.04 -0.09 0.00 -2.00 0.00 0.00 57.00 54.98 1r3b n GLN 164 Cb 0.32 -1.48 0.07 0.00 -4.06 0.00 0.00 30.24 25.08 1r3b n GLN 164 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1r3b n HIS 165 N -2.85 -3.09 -0.06 3.69 1.44 0.37 -4.98 115.22 109.73 1r3b n HIS 165 Ca -0.34 -1.95 -0.12 0.00 -2.01 0.00 0.00 57.72 53.30 1r3b n HIS 165 Cb 1.06 1.57 -0.06 0.00 0.12 0.00 0.00 29.99 32.67 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1r3b h PHE 166 N 3.55 0.37 -0.79 -1.40 3.57 -1.33 -3.03 116.94 117.89 1r3b h PHE 166 Ca -0.12 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.40 1r3b h PHE 166 Cb 1.06 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 1r3b h PHE 166 CO 0.16 0.61 0.52 0.22 -2.23 0.00 0.00 178.31 177.59 1r3b h ASP 167 N 0.02 0.60 -0.55 0.41 1.82 -1.91 -0.16 116.42 116.64 1r3b h ASP 167 Ca 0.04 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.82 1r3b h ASP 167 Cb 0.50 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.38 1r3b h ASP 167 CO 0.02 0.34 0.38 0.00 -1.61 0.00 0.00 179.24 178.37 1r3b h ALA 168 N 1.61 2.23 -0.34 -0.78 0.00 -1.91 -0.79 119.26 119.28 1r3b h ALA 168 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1r3b h ALA 168 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r3b h ALA 168 CO -0.14 -0.37 0.12 0.28 0.00 0.00 0.00 179.25 179.13 1r3b h VAL 169 N 0.21 1.20 0.00 0.00 2.07 -1.09 -2.59 116.25 116.05 1r3b h VAL 169 Ca 0.26 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1r3b h VAL 169 Cb 0.75 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1r3b h VAL 169 CO -0.05 0.22 -0.27 -0.03 0.02 0.00 0.00 177.57 177.46 1r3b h MET 170 N 0.40 0.00 0.00 1.57 1.85 -1.28 -3.20 114.93 114.26 1r3b h MET 170 Ca 0.11 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1r3b h MET 170 Cb 0.23 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1r3b h MET 170 CO -0.01 0.27 -0.00 1.96 -0.40 0.00 0.00 176.91 178.74 1r3b h GLN 171 N 0.00 -0.01 -0.68 0.39 4.20 -0.80 0.23 115.11 118.44 1r3b h GLN 171 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1r3b h GLN 171 Cb 0.81 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1r3b h GLN 171 CO 0.04 0.03 0.36 1.37 -0.67 0.00 0.00 178.83 179.96 1r3b h LEU 172 N -0.04 0.85 0.00 1.46 -0.00 -1.52 -3.43 115.31 112.63 1r3b h LEU 172 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1r3b h LEU 172 Cb 0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 1r3b h LEU 172 CO 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 178.44 179.13 1r3b n GLN 173 N -4.36 0.00 -0.09 0.17 10.64 -1.07 -5.15 117.38 117.52 1r3b n GLN 173 Ca 0.07 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.25 1r3b n GLN 173 Cb 0.11 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.48 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1r3b n GLU 174 N 0.00 -0.18 -1.00 2.61 1.02 0.79 -3.76 120.64 120.11 1r3b n GLU 174 Ca 0.00 0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1r3b n GLU 174 Cb 0.00 -0.22 0.21 0.00 -0.02 0.00 0.00 31.44 31.40 1r3b n GLU 174 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1r3b n GLU 175 N -1.39 2.66 0.10 3.49 1.02 -1.26 -3.72 120.64 121.54 1r3b n GLU 175 Ca 0.00 -2.66 -0.13 0.00 -0.02 0.00 0.00 57.16 54.35 1r3b n GLU 175 Cb 0.04 -2.07 -0.08 0.00 -0.02 0.00 0.00 31.44 29.31 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r3b h ALA 176 N 1.77 -0.26 0.00 0.62 0.00 -1.92 0.44 119.26 119.92 1r3b h ALA 176 Ca 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1r3b h ALA 176 Cb 2.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1r3b h ALA 176 CO 0.84 -0.48 -0.27 1.25 0.00 0.00 0.00 179.25 180.58 1r3b h HIS 177 N -0.58 0.00 0.14 0.00 -0.00 -1.79 -0.80 115.15 112.12 1r3b h HIS 177 Ca -0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.11 1r3b h HIS 177 Cb 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.87 1r3b h HIS 177 CO 0.03 0.27 -1.01 1.25 -0.00 0.00 0.00 177.93 178.47 1r3b h LEU 178 N 0.00 0.65 -0.21 0.26 5.85 -1.82 -2.81 115.31 117.22 1r3b h LEU 178 Ca -0.00 -0.89 -0.03 0.00 0.84 0.00 0.00 57.88 57.80 1r3b h LEU 178 Cb 0.56 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1r3b h LEU 178 CO 0.04 1.48 0.02 -1.13 -0.34 0.00 0.00 178.44 178.50 1r3b h ASN 179 N -0.09 0.36 -0.27 1.25 -0.73 0.07 -0.16 115.58 116.00 1r3b h ASN 179 Ca -0.17 -0.29 0.02 0.00 1.87 0.00 0.00 56.30 57.73 1r3b h ASN 179 Cb 1.76 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 40.23 1r3b h ASN 179 CO 0.19 0.56 0.14 0.00 -0.37 0.00 0.00 177.43 177.94 1r3b h THR 180 N 0.15 0.99 -0.33 -3.57 1.03 -1.27 -1.29 112.91 108.62 1r3b h THR 180 Ca 0.06 -0.10 -0.06 0.00 -0.01 0.00 0.00 66.41 66.30 1r3b h THR 180 Cb 0.36 0.68 -0.02 0.00 -1.07 0.00 0.00 68.15 68.11 1r3b h THR 180 CO 0.01 0.05 -0.06 0.77 -0.01 0.00 0.00 175.52 176.28 1r3b h SER 181 N 0.29 0.51 -0.61 0.00 4.64 -1.44 -2.72 113.55 114.21 1r3b h SER 181 Ca 0.11 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1r3b h SER 181 Cb 0.03 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1r3b h SER 181 CO -0.08 0.62 0.22 0.15 -0.87 0.00 0.00 176.83 176.87 1r3b h PHE 182 N 0.50 0.96 -0.28 4.77 3.57 -0.36 -2.35 116.94 123.75 1r3b h PHE 182 Ca 0.10 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1r3b h PHE 182 Cb 0.42 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1r3b h PHE 182 CO 0.01 0.77 0.17 0.87 -2.23 0.00 0.00 178.31 177.91 1r3b h LYS 183 N 0.86 0.37 -0.39 1.11 1.57 -0.95 -1.39 116.57 117.76 1r3b h LYS 183 Ca 0.20 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1r3b h LYS 183 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1r3b h LYS 183 CO -0.01 0.26 -0.22 1.25 -0.57 0.00 0.00 179.45 180.15 1r3b h HIS 184 N 0.38 0.88 0.00 -1.35 2.76 -1.28 0.95 115.15 117.49 1r3b h HIS 184 Ca 0.10 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 58.03 1r3b h HIS 184 Cb -0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1r3b h HIS 184 CO 0.00 0.92 -0.22 0.74 -1.30 0.00 0.00 177.93 178.08 1r3b h PHE 185 N 0.67 0.00 0.00 5.26 -1.00 -0.96 -1.62 116.94 119.29 1r3b h PHE 185 Ca 0.09 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.73 1r3b h PHE 185 Cb 0.74 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 1r3b h PHE 185 CO 0.04 0.22 -1.26 -0.89 -1.61 0.00 0.00 178.31 174.80 1r3b n ILE 186 N -3.59 1.49 -0.36 -0.55 5.41 -0.90 -3.73 119.36 117.14 1r3b n ILE 186 Ca -0.01 0.01 0.08 0.00 1.00 0.00 0.00 62.75 63.83 1r3b n ILE 186 Cb 0.35 -2.20 0.25 0.00 -0.71 0.00 0.00 39.64 37.33 1r3b n ILE 186 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1r3b h PHE 187 N -1.00 1.12 -0.21 1.39 0.04 0.84 0.91 116.94 120.03 1r3b h PHE 187 Ca -0.22 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.54 1r3b h PHE 187 Cb 1.06 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1r3b h PHE 187 CO -0.20 0.40 -0.02 0.35 -0.60 0.00 0.00 178.31 178.24 1r3b h PHE 188 N 0.94 0.42 -0.16 -0.55 3.57 -1.45 0.51 116.94 120.22 1r3b h PHE 188 Ca 0.51 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.74 1r3b h PHE 188 Cb 0.56 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1r3b h PHE 188 CO -0.01 0.60 -0.66 0.28 -2.23 0.00 0.00 178.31 176.29 1r3b h VAL 189 N 0.12 1.32 0.00 1.41 2.07 -1.45 -3.12 116.25 116.60 1r3b h VAL 189 Ca 0.06 -1.94 -0.17 0.00 0.82 0.00 0.00 66.70 65.47 1r3b h VAL 189 Cb 0.45 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1r3b h VAL 189 CO 0.02 0.60 -0.81 -0.61 0.02 0.00 0.00 177.57 176.79 1r3b h GLN 190 N 0.45 0.03 -0.04 1.57 -0.00 0.83 0.70 115.11 118.65 1r3b h GLN 190 Ca -0.02 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1r3b h GLN 190 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.73 1r3b h GLN 190 CO 0.13 0.82 -0.02 0.93 0.00 0.00 0.00 178.83 180.68 1r3b h GLU 191 N 0.01 -0.03 -0.43 1.69 4.39 0.07 -2.22 114.58 118.06 1r3b h GLU 191 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r3b h GLU 191 Cb 1.43 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1r3b h GLU 191 CO 0.11 -0.02 0.00 1.19 -1.16 0.00 0.00 179.01 179.13 1r3b n PHE 192 N -5.13 0.58 -3.78 4.33 3.01 -1.19 -4.93 117.46 110.35 1r3b n PHE 192 Ca -0.06 -0.29 -0.26 0.00 1.01 0.00 0.00 57.45 57.85 1r3b n PHE 192 Cb 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.58 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1r3b n ASN 193 N 0.85 -3.85 -1.87 4.37 5.15 -0.78 -4.88 115.26 114.25 1r3b n ASN 193 Ca 0.16 -0.74 -0.19 0.00 -0.60 0.00 0.00 54.58 53.21 1r3b n ASN 193 Cb 0.40 -4.19 0.16 0.00 -0.53 0.00 0.00 39.78 35.63 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1r3b n LEU 194 N -4.59 5.88 -4.93 1.20 0.00 0.24 -5.00 117.00 109.80 1r3b n LEU 194 Ca -0.08 -3.85 -0.25 0.00 0.00 0.00 0.00 56.01 51.83 1r3b n LEU 194 Cb 0.58 -0.76 0.01 0.00 0.00 0.00 0.00 43.42 43.26 1r3b n LEU 194 CO 0.71 1.26 0.40 0.27 0.00 0.00 0.00 177.39 180.03 1r3b s ILE 195 N -3.60 4.19 0.24 1.96 -0.00 -1.23 -4.93 121.20 117.84 1r3b s ILE 195 Ca 0.54 -0.14 0.01 0.00 -0.00 0.00 0.00 60.65 61.06 1r3b s ILE 195 Cb 0.46 -3.60 -0.05 0.00 -0.00 0.00 0.00 42.46 39.27 1r3b s ILE 195 CO 0.05 -0.53 0.09 -1.81 -0.00 0.00 0.00 174.94 172.74 1r3b s ASP 196 N -4.21 1.05 -0.08 4.36 1.01 -1.26 -5.04 116.67 112.49 1r3b s ASP 196 Ca 0.49 -1.37 -0.23 0.00 0.71 0.00 0.00 52.55 52.15 1r3b s ASP 196 Cb -0.10 0.19 -0.19 0.00 1.01 0.00 0.00 42.92 43.82 1r3b s ASP 196 CO 0.42 -0.73 0.83 -0.09 0.21 0.00 0.00 175.17 175.81 1r3b h ARG 197 N 2.44 -0.06 0.00 8.23 2.43 -1.99 -2.46 114.38 122.97 1r3b h ARG 197 Ca -0.38 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 1r3b h ARG 197 Cb 1.24 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1r3b h ARG 197 CO 0.60 0.56 -0.38 0.00 -1.51 0.00 0.00 179.97 179.24 1r3b h ARG 198 N -0.85 0.00 0.05 0.20 -0.00 -1.99 -1.99 114.38 109.80 1r3b h ARG 198 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1r3b h ARG 198 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.63 1r3b h ARG 198 CO 0.01 0.38 -0.02 1.49 0.00 0.00 0.00 179.97 181.83 1r3b h GLU 199 N 0.00 -0.07 0.00 0.04 4.81 -1.98 -3.16 114.58 114.22 1r3b h GLU 199 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r3b h GLU 199 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1r3b h GLU 199 CO 0.05 0.47 0.00 1.28 -0.73 0.00 0.00 179.01 180.08 1r3b n LEU 200 N -4.85 0.00 0.17 1.64 4.77 -0.92 -4.08 117.00 113.73 1r3b n LEU 200 Ca -0.09 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1r3b n LEU 200 Cb 0.29 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1r3b n LEU 200 CO 0.32 -0.01 0.52 0.00 -1.33 0.00 0.00 177.39 176.89 1r3b h ALA 201 N 3.68 -1.02 0.00 -1.18 0.00 -1.32 -3.04 119.26 116.38 1r3b h ALA 201 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 54.40 1r3b h ALA 201 Cb 0.11 0.76 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1r3b h ALA 201 CO 0.00 -1.09 2.58 -0.35 0.00 0.00 0.00 179.25 180.39 1r3b n PRO 202 N -5.07 2.11 0.00 0.00 -0.04 -1.26 -3.27 135.00 127.46 1r3b n PRO 202 Ca -0.09 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1r3b n PRO 202 Cb 0.38 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1r3b n PRO 202 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r3b n LEU 203 N 4.14 0.00 0.21 1.53 0.00 -1.15 -4.80 117.00 116.94 1r3b n LEU 203 Ca 0.45 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.53 1r3b n LEU 203 Cb 0.14 0.02 0.47 0.00 0.00 0.00 0.00 43.42 44.05 1r3b n LEU 203 CO 0.69 -0.16 0.79 1.56 0.00 0.00 0.00 177.39 180.27 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 4.20 -1.71 -3.05 115.11 116.51 1r3b h GLN 204 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1r3b h GLN 204 CO 0.00 0.28 -0.10 1.05 -0.67 0.00 0.00 178.83 179.39 1r3b h GLU 205 N 0.00 0.07 -0.12 1.46 -0.00 -1.89 -3.23 114.58 110.86 1r3b h GLU 205 Ca -0.00 -0.07 0.03 0.00 -0.00 0.00 0.00 59.36 59.32 1r3b h GLU 205 Cb 0.67 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.44 1r3b h GLU 205 CO 0.04 0.86 0.09 1.37 -0.00 0.00 0.00 179.01 181.37 1r3b h LEU 206 N -0.69 0.00 -0.92 3.06 8.10 -1.86 -0.66 115.31 122.33 1r3b h LEU 206 Ca -0.01 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 1r3b h LEU 206 Cb 0.90 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.10 1r3b h LEU 206 CO 0.02 0.00 -0.46 0.40 -4.11 0.00 0.00 178.44 174.29 1r3b h ILE 207 N 0.00 1.33 0.15 0.15 1.08 -1.59 -2.10 117.51 116.53 1r3b h ILE 207 Ca 0.06 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 62.89 1r3b h ILE 207 Cb 0.24 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1r3b h ILE 207 CO -0.00 0.48 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.54 1r3b h GLU 208 N 0.14 -0.19 -0.30 2.37 3.07 -1.14 -0.28 114.58 118.25 1r3b h GLU 208 Ca 0.01 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1r3b h GLU 208 Cb 0.87 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 1r3b h GLU 208 CO 0.07 0.24 0.16 1.57 -1.40 0.00 0.00 179.01 179.65 1r3b h LYS 209 N -0.72 0.40 -0.02 2.33 2.10 -1.52 -2.82 116.57 116.33 1r3b h LYS 209 Ca -0.02 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.54 1r3b h LYS 209 Cb 0.52 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1r3b h LYS 209 CO 0.03 0.30 -0.21 1.25 -2.00 0.00 0.00 179.45 178.82 1r3b h LEU 210 N 0.41 0.21-10.12 7.07 6.46 -1.38 -3.46 115.31 114.50 1r3b h LEU 210 Ca 0.11 -0.73 -0.43 0.00 -0.12 0.00 0.00 57.88 56.70 1r3b h LEU 210 Cb 0.02 -0.06 0.22 0.00 -0.73 0.00 0.00 40.66 40.11 1r3b h LEU 210 CO -0.02 0.91 -0.01 -0.83 -0.62 0.00 0.00 178.44 177.87 1r3b s GLY 211 N -3.81 1.54 -0.34 3.75 0.00 -0.12 -5.00 107.32 103.34 1r3b s GLY 211 Ca -0.16 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.48 1r3b s GLY 211 CO 0.74 0.63 0.05 -0.56 0.00 0.00 0.00 173.10 173.95 1r3b s SER 212 N -2.41 4.80 -0.29 1.64 0.01 -1.26 -4.94 113.70 111.24 1r3b s SER 212 Ca 0.69 -2.04 -0.16 0.00 1.31 0.00 0.00 55.95 55.75 1r3b s SER 212 Cb -0.26 -1.65 0.15 0.00 0.21 0.00 0.00 66.02 64.47 1r3b s SER 212 CO 0.65 -0.38 0.96 -0.54 0.41 0.00 0.00 173.24 174.35 1r3b s LYS 213 N 0.96 0.37 0.02 12.44 1.02 -1.26 -5.18 119.74 128.11 1r3b s LYS 213 Ca 0.08 0.72 -0.24 0.00 0.02 0.00 0.00 55.97 56.55 1r3b s LYS 213 Cb -0.20 0.20 0.06 0.00 -0.52 0.00 0.00 37.83 37.37 1r3b s LYS 213 CO -0.07 -0.09 0.55 -0.51 -0.92 0.00 0.00 175.35 174.31 1r3b s ASP 214 N 1.69 -0.48 0.00 2.83 1.01 -1.26 -5.11 116.67 115.34 1r3b s ASP 214 Ca -0.07 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1r3b s ASP 214 Cb -0.05 0.49 0.00 0.00 1.01 0.00 0.00 42.92 44.38 1r3b s ASP 214 CO -0.16 -0.67 0.00 -1.14 0.21 0.00 0.00 175.17 173.41