#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 -1.36 3.78 -5.12 0.00 -1.26 -5.16 105.19 96.06 1r3b n GLY 15 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 1r3b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3b s SER 16 N 0.00 4.69 0.28 1.61 0.01 -1.26 -5.07 113.70 113.97 1r3b s SER 16 Ca 0.00 1.81 0.05 0.00 1.31 0.00 0.00 55.95 59.12 1r3b s SER 16 Cb 0.00 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 1r3b s SER 16 CO 0.00 -1.91 0.00 -0.94 0.41 0.00 0.00 173.24 170.80 1r3b s SER 17 N -3.37 2.34 0.04 2.44 1.04 -1.26 -5.17 113.70 109.77 1r3b s SER 17 Ca 0.61 -1.27 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1r3b s SER 17 Cb -0.17 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1r3b s SER 17 CO 0.54 -0.50 0.26 -1.38 0.98 0.00 0.00 173.24 173.15 1r3b s HIS 18 N -3.24 -0.04 -0.10 5.02 0.00 -1.26 -5.15 115.29 110.52 1r3b s HIS 18 Ca 0.32 -0.14 -0.01 0.00 -3.00 0.00 0.00 55.06 52.23 1r3b s HIS 18 Cb 0.06 0.05 0.03 0.00 -4.00 0.00 0.00 32.58 28.72 1r3b s HIS 18 CO 0.12 -0.48 -0.01 -1.01 -1.00 0.00 0.00 174.74 172.37 1r3b s HIS 19 N -2.60 0.88 -0.15 0.38 0.09 -1.26 -5.13 115.29 107.49 1r3b s HIS 19 Ca -0.05 -0.38 -0.08 0.00 -0.00 0.00 0.00 55.06 54.55 1r3b s HIS 19 Cb -0.01 -0.92 -0.04 0.00 -0.00 0.00 0.00 32.58 31.61 1r3b s HIS 19 CO -0.04 -0.41 0.13 -1.01 -0.00 0.00 0.00 174.74 173.41 1r3b s HIS 20 N 1.91 3.50 -0.21 1.40 4.02 -1.26 -5.09 115.29 119.57 1r3b s HIS 20 Ca 0.04 0.43 0.01 0.00 1.02 0.00 0.00 55.06 56.56 1r3b s HIS 20 Cb -0.13 -2.01 0.05 0.00 -1.02 0.00 0.00 32.58 29.46 1r3b s HIS 20 CO -0.06 0.55 -0.10 -3.38 1.02 0.00 0.00 174.74 172.77 1r3b s HIS 21 N -0.51 2.51 -0.45 1.40 0.00 -1.26 -5.08 115.29 111.90 1r3b s HIS 21 Ca 0.12 -1.68 -0.07 0.00 -3.00 0.00 0.00 55.06 50.42 1r3b s HIS 21 Cb -0.12 -1.67 0.11 0.00 -4.00 0.00 0.00 32.58 26.91 1r3b s HIS 21 CO 0.02 -0.76 0.30 -3.38 -1.00 0.00 0.00 174.74 169.91 1r3b s HIS 22 N 1.36 3.46 -0.05 0.38 0.00 -1.26 -5.08 115.29 114.11 1r3b s HIS 22 Ca -0.02 -2.00 -0.04 0.00 -3.00 0.00 0.00 55.06 50.00 1r3b s HIS 22 Cb -0.17 -3.37 -0.04 0.00 -4.00 0.00 0.00 32.58 25.01 1r3b s HIS 22 CO -0.08 -0.98 0.14 -1.01 -1.00 0.00 0.00 174.74 171.82 1r3b s HIS 23 N 1.30 3.50 -0.31 0.38 0.09 -1.26 -5.08 115.29 113.91 1r3b s HIS 23 Ca 0.06 0.38 -0.02 0.00 -0.00 0.00 0.00 55.06 55.48 1r3b s HIS 23 Cb -0.25 -1.85 0.12 0.00 -0.00 0.00 0.00 32.58 30.60 1r3b s HIS 23 CO -0.01 0.65 0.20 0.45 -0.00 0.00 0.00 174.74 176.03 1r3b s SER 24 N -1.56 2.89 0.58 1.40 0.15 -1.26 -5.14 113.70 110.76 1r3b s SER 24 Ca 0.22 -1.48 -0.13 0.00 0.70 0.00 0.00 55.95 55.25 1r3b s SER 24 Cb -0.12 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 1r3b s SER 24 CO 0.12 -0.38 1.01 -0.94 1.20 0.00 0.00 173.24 174.26 1r3b s SER 25 N 1.80 6.35 0.06 5.45 1.04 -1.26 -5.08 113.70 122.06 1r3b s SER 25 Ca 0.12 1.49 0.09 0.00 0.48 0.00 0.00 55.95 58.13 1r3b s SER 25 Cb -0.18 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1r3b s SER 25 CO -0.23 -0.78 -0.24 -0.83 0.98 0.00 0.00 173.24 172.14 1r3b s GLY 26 N -3.70 1.30 -0.09 7.32 0.00 -1.26 -5.13 107.32 105.76 1r3b s GLY 26 Ca 0.57 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.96 1r3b s GLY 26 CO 0.45 -1.14 0.28 -2.27 0.00 0.00 0.00 173.10 170.43 1r3b s LEU 27 N -1.38 4.38 -0.43 0.66 2.96 -1.26 -5.07 118.68 118.53 1r3b s LEU 27 Ca 0.10 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.55 1r3b s LEU 27 Cb -0.10 -2.35 0.07 0.00 0.50 0.00 0.00 46.19 44.31 1r3b s LEU 27 CO 0.03 0.29 0.30 -0.69 -1.32 0.00 0.00 176.35 174.96 1r3b s VAL 28 N -0.60 4.67 1.20 1.68 1.01 -1.26 -5.09 120.40 122.01 1r3b s VAL 28 Ca 0.19 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1r3b s VAL 28 Cb -0.14 -3.79 0.28 0.00 0.00 0.00 0.00 36.38 32.73 1r3b s VAL 28 CO 0.07 -0.49 1.08 -2.16 0.00 0.00 0.00 175.10 173.60 1r3b s PRO 29 N 1.53 -1.17 -0.10 2.72 0.04 -1.26 -5.08 135.00 131.68 1r3b s PRO 29 Ca 0.03 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 1r3b s PRO 29 Cb -0.23 -1.59 0.04 0.00 0.04 0.00 0.00 34.50 32.76 1r3b s PRO 29 CO 0.05 -3.71 0.24 -0.98 0.04 0.00 0.00 177.00 172.63 1r3b s ARG 30 N -5.23 0.21 0.44 4.56 1.70 -1.26 -5.16 118.95 114.22 1r3b s ARG 30 Ca 0.70 0.47 -0.08 0.00 -0.47 0.00 0.00 55.73 56.35 1r3b s ARG 30 Cb -0.13 -0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.14 1r3b s ARG 30 CO 0.57 -0.13 0.77 0.20 -1.08 0.00 0.00 175.30 175.63 1r3b s GLY 31 N 0.97 1.71 0.90 3.88 0.00 -1.26 -5.09 107.32 108.44 1r3b s GLY 31 Ca -0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.16 1r3b s GLY 31 CO -0.06 -0.19 1.24 -0.56 0.00 0.00 0.00 173.10 173.53 1r3b s SER 32 N -3.65 3.41 0.32 1.64 0.01 -1.26 -5.11 113.70 109.06 1r3b s SER 32 Ca 0.49 0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.93 1r3b s SER 32 Cb -0.10 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1r3b s SER 32 CO 0.39 -2.53 -0.06 0.00 0.41 0.00 0.00 173.24 171.45 1r3b s ALA 33 N -3.70 3.05 -0.08 1.44 0.00 -1.26 -5.14 121.76 116.07 1r3b s ALA 33 Ca 0.72 -1.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1r3b s ALA 33 Cb -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1r3b s ALA 33 CO 0.51 0.15 -0.03 -0.08 0.00 0.00 0.00 175.76 176.31 1r3b s THR 34 N -2.50 0.58 -0.06 0.00 -1.32 -1.26 -5.13 115.64 105.94 1r3b s THR 34 Ca 0.33 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1r3b s THR 34 Cb -0.02 -0.68 0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1r3b s THR 34 CO 0.18 0.28 0.26 -0.22 -2.21 0.00 0.00 174.62 172.92 1r3b s LEU 35 N 1.74 1.01 0.00 9.08 1.98 -1.26 -5.17 118.68 126.06 1r3b s LEU 35 Ca 0.02 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.55 1r3b s LEU 35 Cb -0.13 1.01 0.00 0.00 0.66 0.00 0.00 46.19 47.73 1r3b s LEU 35 CO -0.05 -0.25 0.00 0.61 -1.89 0.00 0.00 176.35 174.77 1r3b n GLY 36 N 2.17 4.71 3.24 7.98 0.00 -1.26 -5.18 105.19 116.85 1r3b n GLY 36 Ca -0.17 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 1r3b n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 37 N 0.00 1.89 0.46 1.61 1.04 -1.26 -5.17 113.70 112.28 1r3b s SER 37 Ca 0.00 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.62 1r3b s SER 37 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1r3b s SER 37 CO 0.00 -0.21 0.09 -0.83 0.98 0.00 0.00 173.24 173.27 1r3b s GLY 38 N -2.65 2.62 -0.36 7.32 0.00 -1.26 -5.12 107.32 107.86 1r3b s GLY 38 Ca 0.11 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1r3b s GLY 38 CO 0.02 -2.07 0.29 0.54 0.00 0.00 0.00 173.10 171.88 1r3b s ASN 39 N -3.86 2.12 -0.08 1.64 2.20 -1.26 -5.00 114.94 110.70 1r3b s ASN 39 Ca 0.27 -2.01 -0.27 0.00 -0.94 0.00 0.00 52.86 49.91 1r3b s ASN 39 Cb 0.05 -0.00 -0.24 0.00 -2.00 0.00 0.00 41.25 39.06 1r3b s ASN 39 CO 0.15 -0.28 0.97 0.25 -2.94 0.00 0.00 177.10 175.25 1r3b h LEU 40 N 6.91 0.07 -0.36 3.54 7.12 -2.00 -2.50 115.31 128.09 1r3b h LEU 40 Ca 0.07 -0.80 0.03 0.00 0.13 0.00 0.00 57.88 57.31 1r3b h LEU 40 Cb 1.00 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 1r3b h LEU 40 CO 0.24 0.86 0.16 0.03 -0.13 0.00 0.00 178.44 179.60 1r3b h ARG 41 N -0.72 0.33 -0.06 1.25 3.08 -2.01 -1.89 114.38 114.37 1r3b h ARG 41 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1r3b h ARG 41 Cb 0.87 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1r3b h ARG 41 CO 0.02 0.22 -0.28 1.96 -1.07 0.00 0.00 179.97 180.82 1r3b h GLN 42 N 0.34 0.11 0.00 0.04 4.20 -1.87 -2.29 115.11 115.64 1r3b h GLN 42 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1r3b h GLN 42 Cb 0.09 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1r3b h GLN 42 CO -0.13 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 1r3b n ALA 43 N -2.48 1.37 -0.01 3.87 0.00 -0.72 -2.36 120.51 120.18 1r3b n ALA 43 Ca -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1r3b n ALA 43 Cb 0.35 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 0.89 -3.31 0.00 2.07 -1.26 -3.46 116.25 111.17 1r3b h VAL 44 Ca 0.00 -2.71 -0.54 0.00 0.82 0.00 0.00 66.70 64.27 1r3b h VAL 44 Cb 0.19 2.47 -0.35 0.00 -1.52 0.00 0.00 31.29 32.08 1r3b h VAL 44 CO 0.00 0.57 -0.82 -0.32 0.02 0.00 0.00 177.57 177.02 1r3b s MET 45 N -2.60 1.82 -0.74 1.57 0.00 -0.99 -4.93 119.30 113.42 1r3b s MET 45 Ca -0.06 -0.42 -0.34 0.00 0.00 0.00 0.00 55.69 54.87 1r3b s MET 45 Cb 0.08 -1.60 -0.18 0.00 0.00 0.00 0.00 34.83 33.13 1r3b s MET 45 CO 0.82 -0.07 2.48 1.28 0.00 0.00 0.00 175.02 179.53 1r3b n LEU 46 N 4.21 0.89 -4.70 4.11 4.77 -1.26 -4.80 117.00 120.23 1r3b n LEU 46 Ca -0.19 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1r3b n LEU 46 Cb 0.51 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 1r3b n LEU 46 CO 0.23 -0.85 0.80 -2.16 -1.33 0.00 0.00 177.39 174.08 1r3b s PRO 47 N 7.93 4.46 0.09 3.23 0.04 -1.26 -4.65 135.00 144.84 1r3b s PRO 47 Ca 1.24 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1r3b s PRO 47 Cb -1.11 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1r3b s PRO 47 CO 0.49 -0.22 0.00 -1.91 0.04 0.00 0.00 177.00 175.40 1r3b n GLU 48 N 4.37 -5.12 -1.47 4.56 2.13 -1.26 -4.93 120.64 118.91 1r3b n GLU 48 Ca 0.08 3.70 0.18 0.00 0.66 0.00 0.00 57.16 61.78 1r3b n GLU 48 Cb 0.49 -4.36 -0.10 0.00 0.27 0.00 0.00 31.44 27.74 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r3b n GLY 49 N 1.78 -3.33 3.35 8.31 0.00 -1.26 -4.86 105.19 109.17 1r3b n GLY 49 Ca 0.00 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.30 3.41 -0.31 1.61 2.02 -1.26 -4.88 118.70 114.99 1r3b s GLU 50 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1r3b s GLU 50 Cb 0.00 -2.89 0.14 0.00 0.10 0.00 0.00 34.13 31.48 1r3b s GLU 50 CO 0.00 -0.03 0.31 0.34 0.02 0.00 0.00 175.26 175.90 1r3b s ASP 51 N 1.04 1.56 0.04 -0.19 -1.08 -1.26 -5.04 116.67 111.73 1r3b s ASP 51 Ca 0.00 -0.95 -0.29 0.00 -0.52 0.00 0.00 52.55 50.79 1r3b s ASP 51 Cb -0.15 0.52 -0.17 0.00 -1.46 0.00 0.00 42.92 41.66 1r3b s ASP 51 CO -0.00 -0.36 1.36 0.17 0.52 0.00 0.00 175.17 176.85 1r3b h LEU 52 N 7.98 -0.67 -0.94 -1.34 -0.00 -1.97 0.73 115.31 119.10 1r3b h LEU 52 Ca -0.09 -0.03 0.27 0.00 -0.00 0.00 0.00 57.88 58.03 1r3b h LEU 52 Cb 1.07 0.17 -0.14 0.00 -0.00 0.00 0.00 40.66 41.76 1r3b h LEU 52 CO 0.30 -0.36 0.44 0.78 -0.00 0.00 0.00 178.44 179.60 1r3b h ASN 53 N -0.98 0.34 -0.01 0.17 -0.26 -1.96 1.12 115.58 114.00 1r3b h ASN 53 Ca -0.08 0.18 -0.15 0.00 -0.56 0.00 0.00 56.30 55.69 1r3b h ASN 53 Cb 0.66 0.16 0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1r3b h ASN 53 CO 0.13 -0.08 -0.58 -0.08 -1.06 0.00 0.00 177.43 175.76 1r3b h GLU 54 N 0.34 0.41 -0.02 0.81 4.81 -1.94 -2.55 114.58 116.44 1r3b h GLU 54 Ca 0.63 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1r3b h GLU 54 Cb 1.33 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1r3b h GLU 54 CO -0.59 1.09 -0.07 2.35 -0.73 0.00 0.00 179.01 181.06 1r3b h TRP 55 N -0.10 -0.18 -0.02 0.92 -0.00 0.42 0.40 115.95 117.39 1r3b h TRP 55 Ca -0.07 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 1r3b h TRP 55 Cb 1.28 0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 30.51 1r3b h TRP 55 CO 0.14 -0.11 -0.08 0.82 -0.00 0.00 0.00 178.44 179.21 1r3b h ILE 56 N -0.12 0.78 -0.55 2.65 2.04 0.98 0.21 117.51 123.51 1r3b h ILE 56 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1r3b h ILE 56 Cb 0.16 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1r3b h ILE 56 CO -0.09 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.42 1r3b h ALA 57 N 0.87 1.70 0.07 1.87 0.00 -1.16 0.61 119.26 123.22 1r3b h ALA 57 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r3b h ALA 57 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r3b h ALA 57 CO -0.10 0.25 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 1r3b h VAL 58 N 0.66 1.19 0.00 0.00 2.07 0.74 -3.18 116.25 117.73 1r3b h VAL 58 Ca 0.22 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1r3b h VAL 58 Cb 0.05 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1r3b h VAL 58 CO -0.05 0.25 -0.45 0.78 0.02 0.00 0.00 177.57 178.11 1r3b h ASN 59 N -0.57 0.00 0.50 0.57 2.35 -0.34 -2.80 115.58 115.29 1r3b h ASN 59 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1r3b h ASN 59 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1r3b h ASN 59 CO 0.02 0.45 -0.24 0.74 -1.65 0.00 0.00 177.43 176.75 1r3b h THR 60 N 0.00 0.49 -0.32 2.81 2.02 0.18 0.73 112.91 118.81 1r3b h THR 60 Ca -0.00 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1r3b h THR 60 Cb 1.11 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1r3b h THR 60 CO 0.06 0.03 -0.10 0.58 0.37 0.00 0.00 175.52 176.46 1r3b h VAL 61 N -0.79 1.23 0.01 3.16 2.07 -1.64 -1.36 116.25 118.93 1r3b h VAL 61 Ca -0.07 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1r3b h VAL 61 Cb 0.57 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1r3b h VAL 61 CO 0.11 0.34 -0.01 0.44 0.02 0.00 0.00 177.57 178.47 1r3b h ASP 62 N 0.51 -0.02 0.21 0.57 5.19 -1.30 -1.32 116.42 120.26 1r3b h ASP 62 Ca 0.10 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1r3b h ASP 62 Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1r3b h ASP 62 CO 0.03 0.21 -0.15 -0.26 -3.12 0.00 0.00 179.24 175.94 1r3b h PHE 63 N -0.24 -0.40 -0.64 4.55 -1.00 0.67 0.18 116.94 120.06 1r3b h PHE 63 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1r3b h PHE 63 Cb 0.23 0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 1r3b h PHE 63 CO -0.00 -0.24 0.43 0.74 -1.61 0.00 0.00 178.31 177.63 1r3b h PHE 64 N -0.36 0.57 0.00 -0.55 0.04 -1.25 0.63 116.94 116.02 1r3b h PHE 64 Ca -0.01 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1r3b h PHE 64 Cb 0.32 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1r3b h PHE 64 CO -0.11 0.29 -0.45 -0.97 -0.60 0.00 0.00 178.31 176.47 1r3b h ASN 65 N 0.55 0.00 0.25 2.17 -0.73 -0.65 -2.33 115.58 114.84 1r3b h ASN 65 Ca 0.29 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.13 1r3b h ASN 65 Cb 0.41 0.00 0.04 0.00 0.27 0.00 0.00 38.32 39.04 1r3b h ASN 65 CO -0.09 0.45 -1.44 -0.61 -0.37 0.00 0.00 177.43 175.37 1r3b h GLN 66 N 0.00 0.56 -0.04 6.67 4.15 0.14 -2.52 115.11 124.06 1r3b h GLN 66 Ca -0.00 -0.91 -0.22 0.00 0.77 0.00 0.00 58.65 58.29 1r3b h GLN 66 Cb 1.25 0.33 0.00 0.00 0.21 0.00 0.00 27.48 29.27 1r3b h GLN 66 CO 0.06 1.43 -0.88 0.82 -1.93 0.00 0.00 178.83 178.33 1r3b h ILE 67 N 0.17 1.36 0.00 2.39 2.04 -1.04 -2.83 117.51 119.60 1r3b h ILE 67 Ca -0.24 -2.28 -0.11 0.00 1.00 0.00 0.00 64.86 63.23 1r3b h ILE 67 Cb 2.12 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 40.46 1r3b h ILE 67 CO 0.27 0.69 -0.53 -1.13 0.00 0.00 0.00 178.15 177.45 1r3b h ASN 68 N 0.31 0.00 0.06 1.72 -1.24 -1.53 -2.71 115.58 112.18 1r3b h ASN 68 Ca -0.07 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.68 1r3b h ASN 68 Cb 1.50 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.56 1r3b h ASN 68 CO 0.16 0.53 -1.01 0.24 -1.29 0.00 0.00 177.43 176.06 1r3b h MET 69 N 0.00 0.66 -0.01 6.67 2.86 -1.44 -2.84 114.93 120.82 1r3b h MET 69 Ca -0.01 -0.70 -0.17 0.00 -2.06 0.00 0.00 59.70 56.77 1r3b h MET 69 Cb 1.09 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1r3b h MET 69 CO 0.07 1.29 -0.78 1.37 1.06 0.00 0.00 176.91 179.92 1r3b h LEU 70 N 0.38 0.19 -0.74 1.22 8.10 -1.52 -3.13 115.31 119.79 1r3b h LEU 70 Ca -0.12 -0.14 -0.13 0.00 0.11 0.00 0.00 57.88 57.60 1r3b h LEU 70 Cb 1.66 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.81 1r3b h LEU 70 CO 0.20 0.89 -0.62 0.22 -4.11 0.00 0.00 178.44 175.01 1r3b h TYR 71 N 0.09 0.04 -0.03 0.17 3.20 -1.55 -2.97 116.97 115.92 1r3b h TYR 71 Ca -0.02 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1r3b h TYR 71 Cb 1.36 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1r3b h TYR 71 CO 0.02 0.64 0.03 0.78 -1.64 0.00 0.00 178.16 177.99 1r3b h GLY 72 N 1.81 0.00 2.00 1.82 0.00 -1.44 0.12 103.07 107.38 1r3b h GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1r3b h GLY 72 CO 0.08 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.71 1r3b h THR 73 N 0.00 0.00 0.00 4.70 1.35 -1.61 -3.21 112.91 114.14 1r3b h THR 73 Ca 0.02 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1r3b h THR 73 Cb 0.07 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1r3b h THR 73 CO -0.00 0.00 -1.30 2.30 -0.25 0.00 0.00 175.52 176.27 1r3b n ILE 74 N -3.07 0.00 0.14 6.82 -6.64 -0.15 -4.33 119.36 112.14 1r3b n ILE 74 Ca 0.03 -0.26 0.08 0.00 -1.77 0.00 0.00 62.75 60.83 1r3b n ILE 74 Cb 0.44 0.53 0.44 0.00 -1.44 0.00 0.00 39.64 39.61 1r3b n ILE 74 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1r3b n THR 75 N -1.75 1.00 0.05 7.28 5.66 0.24 -0.13 114.28 126.63 1r3b n THR 75 Ca -0.00 0.71 -0.08 0.00 -3.05 0.00 0.00 64.05 61.63 1r3b n THR 75 Cb 0.35 -1.71 -0.12 0.00 -1.55 0.00 0.00 70.33 67.30 1r3b n THR 75 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1r3b h GLU 76 N 0.00 0.02 0.00 1.09 4.11 -1.75 -3.28 114.58 114.76 1r3b h GLU 76 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1r3b h GLU 76 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1r3b h GLU 76 CO 0.00 0.93 -0.88 1.19 0.07 0.00 0.00 179.01 180.32 1r3b n PHE 77 N -3.31 0.22 -0.07 2.06 3.72 0.82 -4.95 117.46 115.95 1r3b n PHE 77 Ca -0.04 0.06 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 1r3b n PHE 77 Cb 0.97 -0.38 0.04 0.00 -0.94 0.00 0.00 39.48 39.17 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r3b s THR 79 N -0.98 0.00 -0.08 0.00 2.01 -1.26 -5.07 115.64 110.26 1r3b s THR 79 Ca 0.09 -1.93 -0.24 0.00 0.31 0.00 0.00 61.69 59.92 1r3b s THR 79 Cb -0.02 -2.52 -0.29 0.00 0.01 0.00 0.00 72.50 69.69 1r3b s THR 79 CO 0.08 0.00 0.87 -0.33 -0.69 0.00 0.00 174.62 174.55 1r3b h GLU 80 N 2.23 0.20 0.15 4.92 5.08 -2.01 -3.39 114.58 121.76 1r3b h GLU 80 Ca -0.28 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1r3b h GLU 80 Cb 1.24 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1r3b h GLU 80 CO 0.40 1.14 -0.07 0.66 -1.00 0.00 0.00 179.01 180.14 1r3b h SER 81 N -0.58 -0.17 0.00 1.42 4.64 -2.02 -3.36 113.55 113.49 1r3b h SER 81 Ca -0.09 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1r3b h SER 81 Cb 1.39 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1r3b h SER 81 CO 0.10 0.36 0.00 0.35 -0.87 0.00 0.00 176.83 176.77 1r3b n THR 82 N -4.90 0.00 0.00 2.95 -2.24 -1.26 -2.62 114.28 106.21 1r3b n THR 82 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1r3b n THR 82 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.90 0.00 -4.67 0.00 2.88 -1.08 -4.82 113.62 104.03 1r3b n SER 84 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1r3b n SER 84 Cb 0.04 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 1r3b n SER 84 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1r3b s VAL 85 N 0.00 4.89 -0.69 2.46 1.01 -1.26 -5.01 120.40 121.81 1r3b s VAL 85 Ca 0.00 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 1r3b s VAL 85 Cb 0.00 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.43 1r3b s VAL 85 CO 0.00 0.03 0.67 -0.32 0.00 0.00 0.00 175.10 175.48 1r3b s MET 86 N 2.13 3.28 -0.21 2.72 1.75 -1.26 -4.98 119.30 122.73 1r3b s MET 86 Ca 0.37 -1.98 -0.04 0.00 -1.25 0.00 0.00 55.69 52.79 1r3b s MET 86 Cb -0.16 -4.38 0.10 0.00 2.84 0.00 0.00 34.83 33.23 1r3b s MET 86 CO 0.12 -1.36 0.29 -1.12 -0.65 0.00 0.00 175.02 172.30 1r3b s SER 87 N 3.01 0.76 0.00 1.11 0.01 -1.26 -4.61 113.70 112.71 1r3b s SER 87 Ca 0.12 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1r3b s SER 87 Cb -0.20 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1r3b s SER 87 CO -0.02 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.33 1r3b n ALA 88 N 5.34 0.00 -0.79 1.44 0.00 -1.26 -4.98 120.51 120.26 1r3b n ALA 88 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1r3b n ALA 88 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1r3b n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3b n GLY 89 N 0.00 2.72 2.05 0.00 0.00 -1.26 -2.68 105.19 106.02 1r3b n GLY 89 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1r3b n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r3b n PRO 90 N 14.00 2.09 -3.24 1.61 -0.04 -1.26 -4.76 135.00 143.41 1r3b n PRO 90 Ca 0.00 -1.16 -0.20 0.00 -0.04 0.00 0.00 63.50 62.10 1r3b n PRO 90 Cb 0.00 -2.04 0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1r3b n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r3b n ARG 91 N 2.39 -1.97 -3.76 0.54 5.12 -1.09 -5.02 116.66 112.87 1r3b n ARG 91 Ca 0.45 1.62 -0.25 0.00 -1.93 0.00 0.00 57.85 57.73 1r3b n ARG 91 Cb 0.87 -3.95 0.01 0.00 -1.16 0.00 0.00 32.46 28.22 1r3b n ARG 91 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1r3b s TYR 92 N -2.30 1.52 0.12 -1.55 -0.85 -1.20 -5.02 117.35 108.08 1r3b s TYR 92 Ca 0.23 -0.84 -0.03 0.00 -0.52 0.00 0.00 57.07 55.92 1r3b s TYR 92 Cb -0.04 -1.95 -0.03 0.00 0.38 0.00 0.00 41.96 40.32 1r3b s TYR 92 CO 0.82 -0.62 0.09 -1.83 -1.52 0.00 0.00 175.55 172.49 1r3b s GLU 93 N -4.36 0.91 -0.16 -3.49 -1.05 -1.26 -4.64 118.70 104.65 1r3b s GLU 93 Ca 0.38 -1.34 -0.07 0.00 -0.15 0.00 0.00 54.97 53.79 1r3b s GLU 93 Cb -0.03 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1r3b s GLU 93 CO 0.24 -0.27 0.08 1.52 0.95 0.00 0.00 175.26 177.78 1r3b s TYR 94 N -4.01 3.32 -0.27 4.83 1.13 -1.26 -5.08 117.35 116.02 1r3b s TYR 94 Ca 0.19 0.21 -0.26 0.00 -1.41 0.00 0.00 57.07 55.80 1r3b s TYR 94 Cb 0.07 -2.03 0.14 0.00 -1.10 0.00 0.00 41.96 39.04 1r3b s TYR 94 CO -0.01 0.32 1.14 -1.01 -2.51 0.00 0.00 175.55 173.48 1r3b s HIS 95 N -0.06 -0.34 -0.30 -3.49 3.76 -1.26 -5.16 115.29 108.45 1r3b s HIS 95 Ca 0.07 0.78 -0.09 0.00 -0.15 0.00 0.00 55.06 55.67 1r3b s HIS 95 Cb -0.12 0.41 0.18 0.00 1.11 0.00 0.00 32.58 34.16 1r3b s HIS 95 CO 0.01 -0.19 0.85 1.67 -0.85 0.00 0.00 174.74 176.23 1r3b s TRP 96 N -0.10 -0.99 -0.10 1.40 -2.14 -1.26 -5.15 118.94 110.60 1r3b s TRP 96 Ca 0.04 1.20 -0.00 0.00 2.66 0.00 0.00 56.10 60.00 1r3b s TRP 96 Cb -0.04 0.40 0.02 0.00 -3.10 0.00 0.00 33.47 30.76 1r3b s TRP 96 CO -0.07 -0.53 -0.07 0.00 -2.66 0.00 0.00 176.95 173.62 1r3b s ALA 97 N 2.83 1.17 0.34 2.67 0.00 -1.26 -4.93 121.76 122.58 1r3b s ALA 97 Ca 0.06 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.68 1r3b s ALA 97 Cb -0.11 -0.81 0.62 0.00 0.00 0.00 0.00 23.12 22.82 1r3b s ALA 97 CO -0.16 -0.32 1.80 -0.44 0.00 0.00 0.00 175.76 176.63 1r3b h ASP 98 N 7.97 0.21 -0.59 0.00 3.32 -2.00 -3.39 116.42 121.94 1r3b h ASP 98 Ca -0.29 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1r3b h ASP 98 Cb 1.14 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 1r3b h ASP 98 CO 0.40 0.51 -0.44 0.61 -1.72 0.00 0.00 179.24 178.59 1r3b n GLY 99 N -0.50 -0.52 5.00 2.75 0.00 -1.26 -5.02 105.19 105.64 1r3b n GLY 99 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1r3b n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r3b n THR 100 N 2.46 0.00 -4.49 2.61 -1.04 -1.26 -4.71 114.28 107.85 1r3b n THR 100 Ca 0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.84 1r3b n THR 100 Cb 0.59 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.99 1r3b n THR 100 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1r3b s ASN 101 N 0.00 4.38 0.00 8.00 3.84 -1.26 -4.89 114.94 125.00 1r3b s ASN 101 Ca 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 52.82 1r3b s ASN 101 Cb 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 41.25 39.77 1r3b s ASN 101 CO 0.00 0.26 0.00 0.00 -2.79 0.00 0.00 177.10 174.57 1r3b n ILE 102 N 1.46 0.00 -3.65 -5.21 3.06 -1.26 -4.69 119.36 109.06 1r3b n ILE 102 Ca -0.15 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 59.96 1r3b n ILE 102 Cb 0.52 -0.43 -0.07 0.00 0.54 0.00 0.00 39.64 40.21 1r3b n ILE 102 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1r3b s LYS 103 N -1.64 0.90 0.67 9.51 2.36 -1.26 -5.11 119.74 125.18 1r3b s LYS 103 Ca 0.00 -0.17 -0.13 0.00 -2.55 0.00 0.00 55.97 53.11 1r3b s LYS 103 Cb 0.00 0.41 0.00 0.00 -1.05 0.00 0.00 37.83 37.19 1r3b s LYS 103 CO 0.00 -0.29 1.08 -1.59 1.55 0.00 0.00 175.35 176.10 1r3b s LYS 104 N -1.90 2.84 0.17 4.03 -2.85 -1.26 -4.96 119.74 115.81 1r3b s LYS 104 Ca -0.09 1.21 -0.32 0.00 -1.00 0.00 0.00 55.97 55.77 1r3b s LYS 104 Cb -0.02 -1.97 -0.11 0.00 -2.06 0.00 0.00 37.83 33.68 1r3b s LYS 104 CO 0.02 -1.20 1.68 -1.25 0.10 0.00 0.00 175.35 174.71 1r3b s PRO 105 N -4.46 4.16 0.37 1.78 0.04 -1.26 -4.98 135.00 130.66 1r3b s PRO 105 Ca 0.63 2.51 -0.06 0.00 0.04 0.00 0.00 61.00 64.12 1r3b s PRO 105 Cb -0.17 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1r3b s PRO 105 CO 0.46 -0.72 0.60 0.44 0.04 0.00 0.00 177.00 177.82 1r3b n ILE 106 N 4.13 0.00 -3.32 0.56 -6.64 -1.26 -5.15 119.36 107.69 1r3b n ILE 106 Ca 0.15 -1.58 -0.38 0.00 -1.77 0.00 0.00 62.75 59.17 1r3b n ILE 106 Cb 0.37 1.09 -0.06 0.00 -1.44 0.00 0.00 39.64 39.60 1r3b n ILE 106 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1r3b s LYS 107 N -2.60 4.33 -0.25 6.28 3.01 -1.26 -5.06 119.74 124.19 1r3b s LYS 107 Ca 0.26 0.43 -0.04 0.00 -1.01 0.00 0.00 55.97 55.61 1r3b s LYS 107 Cb -0.02 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.35 1r3b s LYS 107 CO 0.19 0.14 -0.01 0.00 0.51 0.00 0.00 175.35 176.17 1r3b n SER 109 N 4.80 0.00 0.35 0.00 7.64 -1.26 -4.75 113.62 120.40 1r3b n SER 109 Ca -0.17 -0.95 -0.14 0.00 1.01 0.00 0.00 58.87 58.62 1r3b n SER 109 Cb 0.49 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1r3b n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b h ALA 110 N -0.79 -1.13 -0.02 -0.43 0.00 -1.86 0.23 119.26 115.26 1r3b h ALA 110 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1r3b h ALA 110 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r3b h ALA 110 CO 0.00 -1.06 0.03 -1.00 0.00 0.00 0.00 179.25 177.22 1r3b h PRO 111 N -1.00 0.00 0.18 0.00 0.13 -1.91 -2.29 132.00 127.11 1r3b h PRO 111 Ca -0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.76 1r3b h PRO 111 Cb 0.70 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.85 1r3b h PRO 111 CO 0.15 0.00 -1.31 0.87 -0.23 0.00 0.00 178.00 177.49 1r3b h LYS 112 N 0.00 0.39 -0.55 0.86 6.56 -1.90 -3.19 116.57 118.74 1r3b h LYS 112 Ca 0.01 -0.67 0.08 0.00 -1.06 0.00 0.00 60.65 59.01 1r3b h LYS 112 Cb 0.07 0.25 -0.06 0.00 -0.57 0.00 0.00 32.23 31.92 1r3b h LYS 112 CO -0.00 1.32 0.21 -0.92 -2.06 0.00 0.00 179.45 178.00 1r3b h TYR 113 N -0.11 0.37 0.52 -1.35 5.03 0.04 0.29 116.97 121.77 1r3b h TYR 113 Ca -0.25 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.07 1r3b h TYR 113 Cb 1.92 -0.08 0.01 0.00 1.55 0.00 0.00 36.73 40.12 1r3b h TYR 113 CO 0.15 0.12 -0.25 0.82 -1.32 0.00 0.00 178.16 177.67 1r3b h ILE 114 N 0.40 0.48 -0.33 1.81 5.03 -1.64 -1.17 117.51 122.09 1r3b h ILE 114 Ca 0.27 -0.06 0.09 0.00 -0.12 0.00 0.00 64.86 65.04 1r3b h ILE 114 Cb 0.29 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 1r3b h ILE 114 CO -0.26 0.01 0.24 -0.78 -0.68 0.00 0.00 178.15 176.68 1r3b h ASP 115 N -0.74 0.02 0.02 1.72 3.58 -1.46 0.34 116.42 119.89 1r3b h ASP 115 Ca -0.07 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1r3b h ASP 115 Cb 0.56 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1r3b h ASP 115 CO 0.12 0.01 -0.01 1.88 -2.88 0.00 0.00 179.24 178.36 1r3b h TYR 116 N 0.02 -0.02 -0.33 0.28 0.05 0.19 0.25 116.97 117.41 1r3b h TYR 116 Ca 0.16 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.79 1r3b h TYR 116 Cb 0.61 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 1r3b h TYR 116 CO -0.00 0.29 -0.37 1.25 -1.05 0.00 0.00 178.16 178.28 1r3b h LEU 117 N -0.34 0.89 -1.19 3.88 5.85 -0.27 -2.85 115.31 121.29 1r3b h LEU 117 Ca -0.00 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1r3b h LEU 117 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1r3b h LEU 117 CO 0.00 1.19 -0.38 0.24 -0.34 0.00 0.00 178.44 179.16 1r3b h MET 118 N 0.61 0.05 0.57 1.25 2.86 -0.38 -2.76 114.93 117.13 1r3b h MET 118 Ca 0.05 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1r3b h MET 118 Cb 0.96 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.62 1r3b h MET 118 CO 0.09 0.42 -0.27 1.15 1.06 0.00 0.00 176.91 179.36 1r3b h THR 119 N 0.04 0.30 -0.72 2.22 2.02 -0.38 0.23 112.91 116.63 1r3b h THR 119 Ca 0.00 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 66.94 1r3b h THR 119 Cb 0.69 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 1r3b h THR 119 CO 0.05 0.04 0.35 -0.25 0.37 0.00 0.00 175.52 176.08 1r3b h TRP 120 N -1.02 0.63 -0.22 3.16 7.01 -1.51 0.90 115.95 124.91 1r3b h TRP 120 Ca -0.08 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.84 1r3b h TRP 120 Cb 0.65 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1r3b h TRP 120 CO 0.00 0.21 -0.31 -0.39 -2.79 0.00 0.00 178.44 175.17 1r3b h VAL 121 N 0.59 1.32 0.00 2.65 -1.51 -1.49 -3.08 116.25 114.73 1r3b h VAL 121 Ca 0.36 -1.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1r3b h VAL 121 Cb 0.40 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1r3b h VAL 121 CO -0.28 0.47 0.00 -0.61 -1.23 0.00 0.00 177.57 175.92 1r3b h GLN 122 N 0.28 0.00 -0.50 5.19 4.15 0.02 -3.27 115.11 120.98 1r3b h GLN 122 Ca 0.02 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.52 1r3b h GLN 122 Cb 0.89 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.51 1r3b h GLN 122 CO 0.07 0.00 0.12 0.22 -1.93 0.00 0.00 178.83 177.31 1r3b h ASP 123 N 0.00 0.05 -0.10 -0.69 1.82 0.91 0.77 116.42 119.19 1r3b h ASP 123 Ca 0.00 0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.50 1r3b h ASP 123 Cb 0.63 0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.75 1r3b h ASP 123 CO 0.00 0.06 -0.81 0.06 -1.61 0.00 0.00 179.24 176.94 1r3b h GLN 124 N 0.27 0.73 0.00 0.28 3.07 -1.71 0.15 115.11 117.90 1r3b h GLN 124 Ca 0.25 -0.65 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1r3b h GLN 124 Cb 0.32 0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1r3b h GLN 124 CO -0.30 1.25 0.00 -0.07 0.09 0.00 0.00 178.83 179.79 1r3b h LEU 125 N 0.43 0.00 -1.41 0.06 3.38 -1.43 -0.31 115.31 116.03 1r3b h LEU 125 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1r3b h LEU 125 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1r3b h LEU 125 CO 0.16 0.00 -0.01 -0.67 0.09 0.00 0.00 178.44 178.01 1r3b n ASP 126 N -2.75 1.92 -3.84 -0.43 -0.08 0.26 -4.82 116.55 106.81 1r3b n ASP 126 Ca -0.01 -1.46 -0.30 0.00 -1.51 0.00 0.00 54.79 51.51 1r3b n ASP 126 Cb 0.12 0.02 -0.14 0.00 2.34 0.00 0.00 41.12 43.47 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 -0.98 4.03 0.61 1.67 1.01 0.51 -4.94 116.67 118.59 1r3b s ASP 127 Ca 0.13 -2.78 0.38 0.00 0.71 0.00 0.00 52.55 50.98 1r3b s ASP 127 Cb 0.09 -1.36 1.98 0.00 1.01 0.00 0.00 42.92 44.65 1r3b s ASP 127 CO 0.15 -0.26 2.23 -0.08 0.21 0.00 0.00 175.17 177.43 1r3b h GLU 128 N 6.67 0.00 -0.98 8.23 4.81 -1.88 -2.69 114.58 128.75 1r3b h GLU 128 Ca -0.05 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1r3b h GLU 128 Cb 0.91 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.21 1r3b h GLU 128 CO 0.59 0.02 0.61 1.79 -0.73 0.00 0.00 179.01 181.29 1r3b h THR 129 N 0.00 0.80 -0.73 0.32 1.35 -1.92 0.19 112.91 112.93 1r3b h THR 129 Ca -0.00 -0.28 -0.29 0.00 -0.55 0.00 0.00 66.41 65.29 1r3b h THR 129 Cb 0.16 -0.07 -0.17 0.00 -1.73 0.00 0.00 68.15 66.33 1r3b h THR 129 CO 0.00 0.15 0.37 0.00 -0.25 0.00 0.00 175.52 175.79 1r3b n LEU 130 N -4.65 5.80 -3.13 3.87 -0.00 -1.01 -4.48 117.00 113.39 1r3b n LEU 130 Ca 0.20 -3.04 -0.21 0.00 -0.00 0.00 0.00 56.01 52.96 1r3b n LEU 130 Cb 0.49 -0.74 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 1r3b n LEU 130 CO 0.26 0.83 -0.13 0.49 -0.00 0.00 0.00 177.39 178.84 1r3b n PHE 131 N -0.41 1.27 0.00 1.47 3.72 0.66 -4.51 117.46 119.65 1r3b n PHE 131 Ca 0.42 -3.86 0.00 0.00 -0.05 0.00 0.00 57.45 53.96 1r3b n PHE 131 Cb 1.35 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1r3b n PHE 131 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1r3b n PRO 132 N 0.27 -0.16 -3.52 -1.08 -0.02 -1.26 -4.97 135.00 124.25 1r3b n PRO 132 Ca 0.26 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1r3b n PRO 132 Cb 0.57 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.91 1r3b n PRO 132 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1r3b s SER 133 N -1.93 3.27 0.16 2.55 0.01 -1.26 -4.85 113.70 111.65 1r3b s SER 133 Ca 0.00 -1.30 0.03 0.00 1.31 0.00 0.00 55.95 55.98 1r3b s SER 133 Cb 0.00 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1r3b s SER 133 CO 0.00 -0.42 -0.03 -0.54 0.41 0.00 0.00 173.24 172.65 1r3b s LYS 134 N 2.04 1.07 -0.14 12.44 3.01 -1.26 -5.10 119.74 131.81 1r3b s LYS 134 Ca 0.10 -1.49 -0.07 0.00 -1.01 0.00 0.00 55.97 53.49 1r3b s LYS 134 Cb -0.16 -0.37 -0.04 0.00 -1.01 0.00 0.00 37.83 36.25 1r3b s LYS 134 CO -0.33 -0.06 0.12 0.96 0.51 0.00 0.00 175.35 176.55 1r3b s ILE 135 N -3.55 5.35 0.00 2.17 -4.36 -1.26 -4.82 121.20 114.72 1r3b s ILE 135 Ca 0.21 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.75 1r3b s ILE 135 Cb 0.05 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.41 1r3b s ILE 135 CO 0.02 0.58 0.00 0.61 0.24 0.00 0.00 174.94 176.39 1r3b n GLY 136 N 2.37 1.70 3.71 6.27 0.00 -1.26 -4.93 105.19 113.05 1r3b n GLY 136 Ca -0.19 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 2.20 0.83 1.61 -7.23 -1.26 -4.88 120.40 111.66 1r3b s VAL 137 Ca 0.00 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1r3b s VAL 137 Cb 0.00 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.41 1r3b s VAL 137 CO 0.00 -0.05 1.16 -2.16 -0.31 0.00 0.00 175.10 173.74 1r3b s PRO 138 N -3.97 1.60 -0.03 4.82 0.04 -1.26 -4.79 135.00 131.41 1r3b s PRO 138 Ca 0.74 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 1r3b s PRO 138 Cb -0.29 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.25 1r3b s PRO 138 CO 0.47 -2.21 1.21 0.74 0.04 0.00 0.00 177.00 177.26 1r3b h PHE 139 N -1.17 0.05 -0.21 0.56 0.04 -1.89 -3.19 116.94 111.12 1r3b h PHE 139 Ca -0.45 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1r3b h PHE 139 Cb 1.27 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1r3b h PHE 139 CO 0.50 0.58 0.00 -0.35 -0.60 0.00 0.00 178.31 178.44 1r3b n PRO 140 N -4.79 1.59 -1.69 1.51 -0.04 -1.26 -4.68 135.00 125.65 1r3b n PRO 140 Ca -0.08 -0.81 -0.20 0.00 -0.04 0.00 0.00 63.50 62.36 1r3b n PRO 140 Cb 0.29 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1r3b n PRO 140 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r3b n LYS 141 N 0.15 -1.43 -1.02 0.54 4.76 -1.21 -4.66 118.16 115.29 1r3b n LYS 141 Ca 0.07 1.18 -0.03 0.00 -2.87 0.00 0.00 58.31 56.67 1r3b n LYS 141 Cb 0.23 -5.58 -0.02 0.00 -1.84 0.00 0.00 35.03 27.83 1r3b n LYS 141 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1r3b n ASN 142 N -1.34 -0.56 0.01 4.39 0.23 -1.26 -4.99 115.26 111.74 1r3b n ASN 142 Ca -0.21 -1.14 -0.11 0.00 -0.53 0.00 0.00 54.58 52.59 1r3b n ASN 142 Cb 0.67 0.19 -0.06 0.00 -2.08 0.00 0.00 39.78 38.50 1r3b n ASN 142 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1r3b h PHE 143 N 0.10 0.09 -0.33 -2.53 3.04 -1.91 0.78 116.94 116.18 1r3b h PHE 143 Ca -0.28 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.66 1r3b h PHE 143 Cb 1.00 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1r3b h PHE 143 CO -0.11 0.09 0.17 0.52 -2.02 0.00 0.00 178.31 176.96 1r3b h MET 144 N 0.07 0.46 -0.20 1.11 2.86 -1.97 0.90 114.93 118.16 1r3b h MET 144 Ca 0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1r3b h MET 144 Cb 0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1r3b h MET 144 CO -0.01 0.41 -0.03 1.03 1.06 0.00 0.00 176.91 179.37 1r3b h SER 145 N 0.40 0.38 -0.31 1.22 0.87 -1.92 0.13 113.55 114.32 1r3b h SER 145 Ca 0.11 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.22 1r3b h SER 145 Cb 0.09 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1r3b h SER 145 CO -0.02 0.63 -0.19 1.62 -0.53 0.00 0.00 176.83 178.35 1r3b h VAL 146 N 0.12 1.27 -0.24 2.23 3.04 0.69 -0.07 116.25 123.28 1r3b h VAL 146 Ca 0.05 -1.29 -0.11 0.00 -1.01 0.00 0.00 66.70 64.35 1r3b h VAL 146 Cb 0.46 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1r3b h VAL 146 CO 0.02 0.43 -0.28 0.00 -1.01 0.00 0.00 177.57 176.73 1r3b h ALA 147 N 1.10 0.36 -0.16 3.17 0.00 0.92 -2.66 119.26 121.98 1r3b h ALA 147 Ca 0.10 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1r3b h ALA 147 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1r3b h ALA 147 CO 0.05 0.36 -0.53 1.57 0.00 0.00 0.00 179.25 180.70 1r3b h LYS 148 N 0.31 0.45 -0.34 0.00 2.10 -0.67 -0.62 116.57 117.81 1r3b h LYS 148 Ca 0.03 -0.28 -0.02 0.00 -2.00 0.00 0.00 60.65 58.39 1r3b h LYS 148 Cb 0.85 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1r3b h LYS 148 CO 0.07 0.87 0.13 1.15 -2.00 0.00 0.00 179.45 179.67 1r3b h THR 149 N 0.35 1.18 0.00 0.07 2.02 -1.00 -1.65 112.91 113.89 1r3b h THR 149 Ca 0.01 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 1r3b h THR 149 Cb 1.04 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1r3b h THR 149 CO 0.09 0.20 -0.47 0.16 0.37 0.00 0.00 175.52 175.87 1r3b h ILE 150 N 0.39 1.48 -0.84 3.11 3.07 -1.47 -3.26 117.51 119.99 1r3b h ILE 150 Ca 0.11 -2.05 0.11 0.00 1.55 0.00 0.00 64.86 64.58 1r3b h ILE 150 Cb 0.18 2.69 -0.08 0.00 -0.27 0.00 0.00 36.82 39.34 1r3b h ILE 150 CO -0.01 0.58 0.47 -0.07 -1.05 0.00 0.00 178.15 178.08 1r3b h LEU 151 N -0.27 0.65 -1.40 0.16 4.07 -1.12 0.60 115.31 117.99 1r3b h LEU 151 Ca -0.06 0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1r3b h LEU 151 Cb 1.21 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.85 1r3b h LEU 151 CO 0.09 0.34 0.46 0.11 -1.08 0.00 0.00 178.44 178.37 1r3b h LYS 152 N 0.75 0.70 -0.00 1.13 1.57 -1.37 -0.85 116.57 118.51 1r3b h LYS 152 Ca 0.42 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 59.00 1r3b h LYS 152 Cb 0.46 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1r3b h LYS 152 CO -0.28 0.47 -0.78 0.00 -0.57 0.00 0.00 179.45 178.28 1r3b h ARG 153 N 0.73 0.04 -0.00 3.15 -0.00 -0.97 -3.14 114.38 114.18 1r3b h ARG 153 Ca 0.30 -0.04 0.01 0.00 -0.50 0.00 0.00 59.98 59.76 1r3b h ARG 153 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 1r3b h ARG 153 CO -0.10 0.79 -0.06 -0.07 0.00 0.00 0.00 179.97 180.54 1r3b h LEU 154 N 0.02 -0.16 -0.76 3.04 3.38 0.11 -1.57 115.31 119.38 1r3b h LEU 154 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r3b h LEU 154 Cb 1.37 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1r3b h LEU 154 CO 0.10 -0.08 0.49 0.15 0.09 0.00 0.00 178.44 179.19 1r3b h PHE 155 N -0.10 0.97 -0.64 1.13 3.04 -1.57 -2.20 116.94 117.57 1r3b h PHE 155 Ca 0.02 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.07 1r3b h PHE 155 Cb 0.13 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 38.25 1r3b h PHE 155 CO -0.13 0.63 0.30 0.00 -2.02 0.00 0.00 178.31 177.09 1r3b h ARG 156 N 1.03 0.51 -0.62 1.11 3.08 -1.41 0.03 114.38 118.12 1r3b h ARG 156 Ca 0.28 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1r3b h ARG 156 Cb -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1r3b h ARG 156 CO -0.06 0.34 0.31 0.28 -1.07 0.00 0.00 179.97 179.77 1r3b h VAL 157 N 0.53 1.20 0.41 2.04 2.07 -0.78 -0.91 116.25 120.81 1r3b h VAL 157 Ca 0.31 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1r3b h VAL 157 Cb 0.32 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1r3b h VAL 157 CO -0.26 0.23 -0.20 0.22 0.02 0.00 0.00 177.57 177.59 1r3b h TYR 158 N 0.87 -0.51 -0.81 1.57 3.20 -0.46 -2.32 116.97 118.52 1r3b h TYR 158 Ca 0.22 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1r3b h TYR 158 Cb 0.07 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1r3b h TYR 158 CO 0.01 -0.26 0.42 0.00 -1.64 0.00 0.00 178.16 176.69 1r3b h ALA 159 N -0.11 1.20 0.35 1.82 0.00 -1.07 -1.33 119.26 120.13 1r3b h ALA 159 Ca -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r3b h ALA 159 Cb 0.48 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r3b h ALA 159 CO 0.09 0.62 -0.32 1.25 0.00 0.00 0.00 179.25 180.89 1r3b h HIS 160 N 1.15 -0.86 -0.50 0.00 -0.00 -1.07 -1.97 115.15 111.90 1r3b h HIS 160 Ca 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.62 1r3b h HIS 160 Cb 0.07 0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1r3b h HIS 160 CO 0.01 -0.46 0.16 -0.84 -0.00 0.00 0.00 177.93 176.79 1r3b h ILE 161 N -0.69 1.20 0.14 6.26 3.07 -1.32 -0.61 117.51 125.57 1r3b h ILE 161 Ca -0.02 -0.68 0.02 0.00 1.55 0.00 0.00 64.86 65.72 1r3b h ILE 161 Cb 0.62 0.66 -0.03 0.00 -0.27 0.00 0.00 36.82 37.79 1r3b h ILE 161 CO -0.05 0.26 -0.28 0.22 -1.05 0.00 0.00 178.15 177.25 1r3b h TYR 162 N 0.72 -0.75 0.00 0.16 3.20 -0.86 0.96 116.97 120.41 1r3b h TYR 162 Ca 0.17 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 1r3b h TYR 162 Cb 0.21 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1r3b h TYR 162 CO 0.01 -0.38 -0.50 0.45 -1.64 0.00 0.00 178.16 176.10 1r3b h HIS 163 N -0.50 0.00 0.16 -3.82 3.86 -1.25 -2.54 115.15 111.05 1r3b h HIS 163 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1r3b h HIS 163 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1r3b h HIS 163 CO -0.24 0.50 -0.08 1.96 0.86 0.00 0.00 177.93 180.93 1r3b h GLN 164 N 0.00 -0.21 -2.20 2.45 7.50 -0.49 -3.41 115.11 118.75 1r3b h GLN 164 Ca -0.01 0.01 -0.59 0.00 0.50 0.00 0.00 58.65 58.57 1r3b h GLN 164 Cb 1.01 0.05 -0.42 0.00 0.05 0.00 0.00 27.48 28.17 1r3b h GLN 164 CO 0.07 -0.14 -0.69 -2.39 -1.50 0.00 0.00 178.83 174.18 1r3b n HIS 165 N -4.46 3.29 -0.04 2.96 1.44 0.33 -4.88 115.22 113.85 1r3b n HIS 165 Ca -0.03 -4.03 -0.12 0.00 -2.01 0.00 0.00 57.72 51.53 1r3b n HIS 165 Cb 0.08 -0.51 -0.07 0.00 0.12 0.00 0.00 29.99 29.62 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 3.64 0.27 -0.81 -1.40 3.57 -1.53 -3.07 116.94 117.61 1r3b h PHE 166 Ca 0.16 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1r3b h PHE 166 Cb 0.64 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1r3b h PHE 166 CO 0.72 0.55 0.53 0.22 -2.23 0.00 0.00 178.31 178.10 1r3b h ASP 167 N -0.09 0.81 -0.55 0.41 3.58 -1.90 -1.05 116.42 117.63 1r3b h ASP 167 Ca 0.03 -0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.60 1r3b h ASP 167 Cb 0.47 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1r3b h ASP 167 CO 0.01 0.53 0.38 0.00 -2.88 0.00 0.00 179.24 177.28 1r3b h ALA 168 N 1.55 2.22 0.10 -0.78 0.00 -1.93 0.37 119.26 120.79 1r3b h ALA 168 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1r3b h ALA 168 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r3b h ALA 168 CO -0.11 -0.36 -0.05 0.28 0.00 0.00 0.00 179.25 179.01 1r3b h VAL 169 N 0.22 1.07 0.00 0.00 2.07 -1.20 -2.62 116.25 115.79 1r3b h VAL 169 Ca 0.26 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1r3b h VAL 169 Cb 0.73 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1r3b h VAL 169 CO -0.05 0.15 -0.55 -0.03 0.02 0.00 0.00 177.57 177.11 1r3b h MET 170 N -0.42 0.00 -0.42 1.57 -1.53 -1.38 -3.21 114.93 109.54 1r3b h MET 170 Ca -0.01 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1r3b h MET 170 Cb 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.38 1r3b h MET 170 CO 0.02 0.55 0.23 1.96 0.14 0.00 0.00 176.91 179.81 1r3b h GLN 171 N 0.00 0.59 -0.22 0.39 4.20 -0.22 -2.49 115.11 117.37 1r3b h GLN 171 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1r3b h GLN 171 Cb 1.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1r3b h GLN 171 CO 0.07 0.48 0.10 1.37 -0.67 0.00 0.00 178.83 180.18 1r3b h LEU 172 N 0.55 0.26 0.00 1.46 8.10 -1.47 -3.45 115.31 120.76 1r3b h LEU 172 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.12 1r3b h LEU 172 Cb 0.07 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1r3b h LEU 172 CO -0.02 0.23 0.00 0.00 -4.11 0.00 0.00 178.44 174.54 1r3b n GLN 173 N -4.46 0.00 -1.38 0.17 1.13 -0.94 -5.15 117.38 106.76 1r3b n GLN 173 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1r3b n GLN 173 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1r3b n GLN 173 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1r3b n GLU 174 N -1.57 0.12 -1.14 -1.09 2.13 -1.20 -4.86 120.64 113.04 1r3b n GLU 174 Ca 0.00 -0.26 -0.22 0.00 0.66 0.00 0.00 57.16 57.34 1r3b n GLU 174 Cb 0.00 0.31 0.16 0.00 0.27 0.00 0.00 31.44 32.18 1r3b n GLU 174 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1r3b n GLU 175 N -0.06 2.16 0.03 5.31 2.13 -1.26 -3.75 120.64 125.21 1r3b n GLU 175 Ca -0.01 -2.78 -0.21 0.00 0.66 0.00 0.00 57.16 54.83 1r3b n GLU 175 Cb 0.07 -2.09 -0.14 0.00 0.27 0.00 0.00 31.44 29.54 1r3b n GLU 175 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r3b h ALA 176 N 1.11 0.00 -0.15 4.31 0.00 -1.96 -2.42 119.26 120.15 1r3b h ALA 176 Ca 0.59 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1r3b h ALA 176 Cb 2.66 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.67 1r3b h ALA 176 CO 1.04 0.53 0.03 0.45 0.00 0.00 0.00 179.25 181.29 1r3b h HIS 177 N -0.36 0.21 0.01 0.00 3.86 -1.95 0.27 115.15 117.20 1r3b h HIS 177 Ca -0.20 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1r3b h HIS 177 Cb 1.68 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.08 1r3b h HIS 177 CO 0.17 0.21 -0.01 1.25 0.86 0.00 0.00 177.93 180.41 1r3b h LEU 178 N 0.22 -0.02 -1.56 2.43 7.12 -1.86 -2.61 115.31 119.03 1r3b h LEU 178 Ca 0.05 -0.64 0.02 0.00 0.13 0.00 0.00 57.88 57.44 1r3b h LEU 178 Cb 0.11 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 1r3b h LEU 178 CO -0.00 0.79 0.32 -1.13 -0.13 0.00 0.00 178.44 178.29 1r3b h ASN 179 N -0.98 0.50 -0.03 1.25 -1.24 -1.29 0.55 115.58 114.34 1r3b h ASN 179 Ca -0.00 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1r3b h ASN 179 Cb 0.66 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.59 1r3b h ASN 179 CO 0.00 0.36 -0.08 0.00 -1.29 0.00 0.00 177.43 176.42 1r3b h THR 180 N 0.59 1.45 -0.39 -3.57 1.03 -0.56 -2.61 112.91 108.85 1r3b h THR 180 Ca 0.19 -1.45 -0.13 0.00 -0.01 0.00 0.00 66.41 65.01 1r3b h THR 180 Cb 0.03 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.43 1r3b h THR 180 CO -0.05 0.39 -0.27 0.28 -0.01 0.00 0.00 175.52 175.87 1r3b h SER 181 N -0.43 0.84 -0.16 0.00 0.02 -1.14 -2.73 113.55 109.94 1r3b h SER 181 Ca -0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1r3b h SER 181 Cb 0.68 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1r3b h SER 181 CO 0.02 1.06 0.09 0.15 -1.14 0.00 0.00 176.83 177.01 1r3b h PHE 182 N 0.70 0.25 -0.10 3.45 3.04 0.05 -0.82 116.94 123.49 1r3b h PHE 182 Ca 0.09 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 1r3b h PHE 182 Cb 0.81 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 1r3b h PHE 182 CO 0.04 0.19 -0.33 -0.22 -2.02 0.00 0.00 178.31 175.97 1r3b h LYS 183 N 0.26 0.20 -0.15 1.11 1.63 -1.15 -2.99 116.57 115.49 1r3b h LYS 183 Ca 0.07 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1r3b h LYS 183 Cb 0.03 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1r3b h LYS 183 CO -0.01 0.52 -0.07 1.25 -3.45 0.00 0.00 179.45 177.68 1r3b h HIS 184 N 0.18 0.37 -0.13 1.91 2.76 -1.10 0.76 115.15 119.90 1r3b h HIS 184 Ca 0.02 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1r3b h HIS 184 Cb 0.68 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1r3b h HIS 184 CO 0.01 0.64 0.20 0.74 -1.30 0.00 0.00 177.93 178.22 1r3b h PHE 185 N -0.01 0.00 0.00 5.26 0.04 -1.35 -0.76 116.94 120.12 1r3b h PHE 185 Ca 0.03 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.50 1r3b h PHE 185 Cb 0.54 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.65 1r3b h PHE 185 CO 0.06 0.00 -1.81 -0.89 -0.60 0.00 0.00 178.31 175.07 1r3b n ILE 186 N -3.54 1.52 0.03 -0.55 -0.00 -1.02 -4.01 119.36 111.79 1r3b n ILE 186 Ca 0.01 -0.17 0.21 0.00 -0.00 0.00 0.00 62.75 62.80 1r3b n ILE 186 Cb 0.31 -2.03 0.73 0.00 -0.00 0.00 0.00 39.64 38.65 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 0.00 0.02 1.39 0.04 0.79 0.22 116.94 118.40 1r3b h PHE 187 Ca -0.46 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.06 1r3b h PHE 187 Cb 1.36 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.52 1r3b h PHE 187 CO -0.08 0.00 -1.02 0.35 -0.60 0.00 0.00 178.31 176.96 1r3b h PHE 188 N 0.00 0.79 -0.05 -0.55 3.57 -1.34 -2.88 116.94 116.48 1r3b h PHE 188 Ca 0.24 -0.44 -0.25 0.00 3.53 0.00 0.00 57.97 61.04 1r3b h PHE 188 Cb 1.08 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 39.76 1r3b h PHE 188 CO 0.00 1.27 -0.95 -0.39 -2.23 0.00 0.00 178.31 176.01 1r3b h VAL 189 N 0.29 1.28 0.00 1.41 -1.51 -1.18 -2.82 116.25 113.71 1r3b h VAL 189 Ca -0.11 -2.15 -0.03 0.00 -1.23 0.00 0.00 66.70 63.18 1r3b h VAL 189 Cb 1.67 2.25 -0.00 0.00 -2.13 0.00 0.00 31.29 33.07 1r3b h VAL 189 CO 0.19 0.67 -0.15 -0.61 -1.23 0.00 0.00 177.57 176.43 1r3b h GLN 190 N 0.44 0.00 0.17 5.19 5.75 -1.12 3.37 115.11 128.91 1r3b h GLN 190 Ca -0.10 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.10 1r3b h GLN 190 Cb 1.60 0.00 0.02 0.00 1.07 0.00 0.00 27.48 30.17 1r3b h GLN 190 CO 0.19 0.15 -1.32 1.05 -2.65 0.00 0.00 178.83 176.25 1r3b h GLU 191 N 0.00 0.43 0.00 1.69 4.11 -1.48 -3.37 114.58 115.96 1r3b h GLU 191 Ca -0.00 -0.69 -0.04 0.00 0.07 0.00 0.00 59.36 58.71 1r3b h GLU 191 Cb 0.28 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1r3b h GLU 191 CO 0.02 1.32 -0.46 1.19 0.07 0.00 0.00 179.01 181.15 1r3b n PHE 192 N -3.65 0.00 0.00 2.06 3.72 -1.07 -4.93 117.46 113.59 1r3b n PHE 192 Ca -0.12 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 1r3b n PHE 192 Cb 1.04 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1r3b n PHE 192 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1r3b n ASN 193 N -0.59 0.00 0.00 4.37 4.05 0.99 -4.97 115.26 119.11 1r3b n ASN 193 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 1r3b n ASN 193 Cb 0.77 0.22 0.00 0.00 1.23 0.00 0.00 39.78 42.01 1r3b n ASN 193 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1r3b n LEU 194 N -2.37 0.10 -4.80 1.20 7.94 0.57 -4.90 117.00 114.75 1r3b n LEU 194 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1r3b n LEU 194 Cb 0.00 -0.16 0.06 0.00 0.53 0.00 0.00 43.42 43.85 1r3b n LEU 194 CO 0.00 -0.05 0.71 -0.51 -1.11 0.00 0.00 177.39 176.43 1r3b s ILE 195 N -3.60 3.74 -0.38 1.96 1.10 -1.26 -4.95 121.20 117.80 1r3b s ILE 195 Ca 0.00 0.60 0.12 0.00 -0.51 0.00 0.00 60.65 60.85 1r3b s ILE 195 Cb 0.00 -3.22 0.39 0.00 0.15 0.00 0.00 42.46 39.78 1r3b s ILE 195 CO 0.00 -0.71 1.08 -0.67 -2.11 0.00 0.00 174.94 172.53 1r3b n ASP 196 N -3.14 -0.53 0.00 4.50 -0.08 -1.26 -4.73 116.55 111.31 1r3b n ASP 196 Ca 0.08 -2.89 0.00 0.00 -1.51 0.00 0.00 54.79 50.47 1r3b n ASP 196 Cb 0.53 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.45 1r3b n ASP 196 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1r3b n ARG 197 N -0.08 0.00 0.11 -0.67 1.85 -1.26 -4.84 116.66 111.76 1r3b n ARG 197 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.83 1r3b n ARG 197 Cb 0.78 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.12 1r3b n ARG 197 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1r3b h ARG 198 N 0.00 -0.33 0.06 2.89 2.43 -1.96 -2.65 114.38 114.82 1r3b h ARG 198 Ca 0.00 0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.84 1r3b h ARG 198 Cb 0.00 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1r3b h ARG 198 CO 0.00 -0.01 -2.01 0.39 -1.51 0.00 0.00 179.97 176.83 1r3b n GLU 199 N -5.01 0.70 -1.07 0.20 4.71 -1.26 -4.19 120.64 114.72 1r3b n GLU 199 Ca -0.07 0.24 -0.19 0.00 -0.01 0.00 0.00 57.16 57.12 1r3b n GLU 199 Cb 0.24 -1.69 0.17 0.00 -1.01 0.00 0.00 31.44 29.15 1r3b n GLU 199 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1r3b n LEU 200 N -3.27 6.24 -0.01 -4.62 4.77 -1.26 -4.62 117.00 114.23 1r3b n LEU 200 Ca -0.30 -3.31 -0.09 0.00 -0.03 0.00 0.00 56.01 52.28 1r3b n LEU 200 Cb 1.05 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1r3b n LEU 200 CO 0.41 0.96 0.78 0.00 -1.33 0.00 0.00 177.39 178.21 1r3b h ALA 201 N 1.31 -0.03 -0.77 -1.18 0.00 -1.64 -3.35 119.26 113.61 1r3b h ALA 201 Ca 0.52 0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.96 1r3b h ALA 201 Cb 2.60 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 20.59 1r3b h ALA 201 CO 0.94 -0.57 1.62 -1.25 0.00 0.00 0.00 179.25 179.99 1r3b s PRO 202 N -6.16 3.35 0.00 0.00 0.04 -1.26 -3.43 135.00 127.54 1r3b s PRO 202 Ca -0.14 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.45 1r3b s PRO 202 Cb 0.10 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1r3b s PRO 202 CO 0.68 -2.87 0.00 1.47 0.04 0.00 0.00 177.00 176.32 1r3b n LEU 203 N 10.79 0.00 -0.20 -3.56 -0.00 -1.26 -4.96 117.00 117.81 1r3b n LEU 203 Ca 0.44 0.00 0.31 0.00 -0.00 0.00 0.00 56.01 56.76 1r3b n LEU 203 Cb 0.47 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.61 1r3b n LEU 203 CO 0.71 0.00 1.28 1.56 -0.00 0.00 0.00 177.39 180.94 1r3b h GLN 204 N 0.00 0.00 0.00 1.47 4.20 -1.75 0.22 115.11 119.25 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 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 0.00 -0.00 0.93 -0.67 0.00 0.00 178.83 179.09 1r3b h GLU 205 N 0.00 -0.00 -0.56 1.46 5.08 -1.93 -3.03 114.58 115.60 1r3b h GLU 205 Ca 0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.73 1r3b h GLU 205 Cb 2.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1r3b h GLU 205 CO -0.00 0.81 -0.02 1.37 -1.00 0.00 0.00 179.01 180.16 1r3b h LEU 206 N -0.81 0.96 -0.98 1.33 8.10 -1.42 0.03 115.31 122.50 1r3b h LEU 206 Ca -0.00 -0.27 0.01 0.00 0.11 0.00 0.00 57.88 57.73 1r3b h LEU 206 Cb 0.81 -0.26 -0.05 0.00 -0.44 0.00 0.00 40.66 40.72 1r3b h LEU 206 CO 0.00 1.02 0.65 0.40 -4.11 0.00 0.00 178.44 176.41 1r3b h ILE 207 N 0.90 1.25 0.06 0.15 1.08 -0.77 0.20 117.51 120.37 1r3b h ILE 207 Ca 0.16 -0.46 -0.23 0.00 -0.39 0.00 0.00 64.86 63.94 1r3b h ILE 207 Cb 0.55 -0.20 0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1r3b h ILE 207 CO 0.03 0.24 -0.93 -0.33 -0.69 0.00 0.00 178.15 176.47 1r3b h GLU 208 N 1.33 0.52 -0.69 2.37 5.08 -1.38 -3.21 114.58 118.61 1r3b h GLU 208 Ca 0.36 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1r3b h GLU 208 Cb -0.15 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1r3b h GLU 208 CO -0.08 1.26 0.27 -0.22 -1.00 0.00 0.00 179.01 179.24 1r3b h LYS 209 N 0.08 1.01 -0.58 2.33 3.64 -0.74 -2.78 116.57 119.53 1r3b h LYS 209 Ca -0.13 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1r3b h LYS 209 Cb 1.63 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 1r3b h LYS 209 CO 0.18 0.83 0.36 1.25 -2.27 0.00 0.00 179.45 179.80 1r3b h LEU 210 N 0.99 0.60 -8.27 5.20 6.46 -0.68 -3.36 115.31 116.24 1r3b h LEU 210 Ca 0.23 -0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.39 1r3b h LEU 210 Cb 0.19 -0.13 -0.12 0.00 -0.73 0.00 0.00 40.66 39.87 1r3b h LEU 210 CO -0.02 0.42 0.79 -0.83 -0.62 0.00 0.00 178.44 178.18 1r3b s GLY 211 N -2.80 1.21 -0.03 3.75 0.00 -1.05 -4.98 107.32 103.42 1r3b s GLY 211 Ca -0.13 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1r3b s GLY 211 CO 0.75 2.31 -0.01 -1.35 0.00 0.00 0.00 173.10 174.80 1r3b s SER 212 N 3.76 0.57 0.31 1.64 1.04 -1.26 -4.92 113.70 114.84 1r3b s SER 212 Ca 0.28 -0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.39 1r3b s SER 212 Cb -0.12 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.63 1r3b s SER 212 CO 0.10 -0.09 1.10 -1.59 0.98 0.00 0.00 173.24 173.74 1r3b s LYS 213 N 1.02 4.49 -0.10 4.02 -2.85 -1.26 -5.00 119.74 120.06 1r3b s LYS 213 Ca -0.10 1.75 -0.29 0.00 -1.00 0.00 0.00 55.97 56.34 1r3b s LYS 213 Cb -0.14 -3.01 -0.02 0.00 -2.06 0.00 0.00 37.83 32.61 1r3b s LYS 213 CO -0.01 0.09 0.96 -0.51 0.10 0.00 0.00 175.35 175.98 1r3b s ASP 214 N -1.04 7.20 0.00 0.03 1.11 -1.26 -5.29 116.67 117.43 1r3b s ASP 214 Ca 0.48 1.48 0.00 0.00 0.18 0.00 0.00 52.55 54.69 1r3b s ASP 214 Cb -0.30 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.16 1r3b s ASP 214 CO 0.38 -0.40 0.00 0.54 1.18 0.00 0.00 175.17 176.87