#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 -2.88 3.33 -5.12 0.00 -1.26 -5.08 105.19 94.19 1r3b n GLY 15 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.37 -0.39 0.29 1.61 0.01 -1.26 -5.18 113.70 105.42 1r3b s SER 16 Ca 0.00 0.54 0.10 0.00 1.31 0.00 0.00 55.95 57.89 1r3b s SER 16 Cb 0.00 0.60 -0.06 0.00 0.21 0.00 0.00 66.02 66.78 1r3b s SER 16 CO 0.00 -0.35 -0.13 -0.94 0.41 0.00 0.00 173.24 172.23 1r3b s SER 17 N -0.65 3.36 -0.02 2.44 1.04 -1.26 -5.15 113.70 113.45 1r3b s SER 17 Ca -0.08 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.28 1r3b s SER 17 Cb -0.03 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1r3b s SER 17 CO 0.04 -0.14 -0.14 -1.00 0.98 0.00 0.00 173.24 172.97 1r3b s HIS 18 N -2.70 1.31 0.30 5.02 4.02 -1.26 -5.15 115.29 116.83 1r3b s HIS 18 Ca 0.30 -0.29 0.10 0.00 1.02 0.00 0.00 55.06 56.19 1r3b s HIS 18 Cb -0.00 -0.86 -0.05 0.00 -1.02 0.00 0.00 32.58 30.64 1r3b s HIS 18 CO 0.14 -0.06 -0.06 -3.38 1.02 0.00 0.00 174.74 172.40 1r3b s HIS 19 N -0.17 2.51 0.16 1.40 0.00 -1.26 -5.15 115.29 112.78 1r3b s HIS 19 Ca 0.02 -0.34 0.06 0.00 -3.00 0.00 0.00 55.06 51.80 1r3b s HIS 19 Cb -0.07 -1.24 -0.04 0.00 -4.00 0.00 0.00 32.58 27.22 1r3b s HIS 19 CO 0.00 0.60 -0.12 -1.01 -1.00 0.00 0.00 174.74 173.21 1r3b s HIS 20 N -2.46 1.42 -0.09 0.38 4.02 -1.26 -5.15 115.29 112.16 1r3b s HIS 20 Ca 0.32 -0.67 -0.04 0.00 1.02 0.00 0.00 55.06 55.70 1r3b s HIS 20 Cb -0.03 -0.70 0.05 0.00 -1.02 0.00 0.00 32.58 30.87 1r3b s HIS 20 CO 0.18 0.18 0.18 -3.38 1.02 0.00 0.00 174.74 172.92 1r3b s HIS 21 N -3.05 -0.22 0.12 1.40 0.00 -1.26 -5.15 115.29 107.13 1r3b s HIS 21 Ca 0.17 0.65 0.10 0.00 -3.00 0.00 0.00 55.06 52.98 1r3b s HIS 21 Cb 0.00 -0.16 -0.04 0.00 -4.00 0.00 0.00 32.58 28.38 1r3b s HIS 21 CO 0.03 -0.26 -0.24 -1.01 -1.00 0.00 0.00 174.74 172.26 1r3b s HIS 22 N 1.96 2.05 0.20 0.38 4.02 -1.26 -5.15 115.29 117.49 1r3b s HIS 22 Ca -0.01 -0.40 0.01 0.00 1.02 0.00 0.00 55.06 55.68 1r3b s HIS 22 Cb -0.12 -1.11 -0.05 0.00 -1.02 0.00 0.00 32.58 30.28 1r3b s HIS 22 CO -0.06 0.27 0.05 -3.38 1.02 0.00 0.00 174.74 172.64 1r3b s HIS 23 N -1.12 1.27 -0.21 1.40 0.00 -1.26 -5.15 115.29 110.23 1r3b s HIS 23 Ca 0.10 -1.13 0.02 0.00 -3.00 0.00 0.00 55.06 51.05 1r3b s HIS 23 Cb -0.10 -0.72 0.03 0.00 -4.00 0.00 0.00 32.58 27.79 1r3b s HIS 23 CO 0.05 -0.33 -0.17 -1.54 -1.00 0.00 0.00 174.74 171.76 1r3b s SER 24 N -3.20 3.61 0.39 7.38 1.04 -1.26 -5.09 113.70 116.55 1r3b s SER 24 Ca 0.30 -0.92 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1r3b s SER 24 Cb 0.07 -1.51 0.06 0.00 0.10 0.00 0.00 66.02 64.74 1r3b s SER 24 CO 0.08 -0.07 0.76 -0.24 0.98 0.00 0.00 173.24 174.75 1r3b n SER 25 N 4.55 -2.22 0.00 7.02 2.88 -1.26 -5.09 113.62 119.50 1r3b n SER 25 Ca -0.18 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1r3b n SER 25 Cb 0.47 3.71 0.00 0.00 -0.75 0.00 0.00 64.21 67.64 1r3b n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r3b n GLY 26 N -0.52 1.24 2.39 0.46 0.00 -1.26 -5.02 105.19 102.47 1r3b n GLY 26 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 1r3b n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r3b n LEU 27 N 0.00 -6.24 -4.50 0.99 7.94 -1.26 -4.90 117.00 109.03 1r3b n LEU 27 Ca 0.00 2.52 -0.43 0.00 -1.11 0.00 0.00 56.01 56.99 1r3b n LEU 27 Cb 0.00 -3.17 -0.06 0.00 0.53 0.00 0.00 43.42 40.73 1r3b n LEU 27 CO 0.00 -3.24 0.49 -0.69 -1.11 0.00 0.00 177.39 172.84 1r3b s VAL 28 N -0.60 4.70 0.26 1.96 1.01 -1.26 -4.93 120.40 121.54 1r3b s VAL 28 Ca -0.11 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1r3b s VAL 28 Cb 0.01 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1r3b s VAL 28 CO 0.31 -0.82 1.67 1.55 0.00 0.00 0.00 175.10 177.81 1r3b h PRO 29 N 9.05 0.51 -2.17 2.72 0.13 -2.03 -3.47 132.00 136.73 1r3b h PRO 29 Ca -0.26 -0.22 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1r3b h PRO 29 Cb 1.09 -0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.05 1r3b h PRO 29 CO 0.98 0.77 0.54 -0.98 -0.23 0.00 0.00 178.00 179.07 1r3b s ARG 30 N -4.39 0.76 0.17 0.86 1.70 -1.26 -5.19 118.95 111.60 1r3b s ARG 30 Ca -0.07 -0.28 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1r3b s ARG 30 Cb 0.13 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1r3b s ARG 30 CO 0.80 -0.33 0.05 0.41 -1.08 0.00 0.00 175.30 175.15 1r3b n GLY 31 N -0.23 3.77 0.01 3.88 0.00 -1.26 -5.04 105.19 106.32 1r3b n GLY 31 Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1r3b n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r3b n SER 32 N -1.76 0.00 -2.47 1.61 7.64 -1.26 -5.12 113.62 112.26 1r3b n SER 32 Ca -0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.82 1r3b n SER 32 Cb 0.26 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1r3b n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3b n ALA 33 N -0.71 -2.97 -2.71 -0.43 0.00 -1.26 -4.94 120.51 107.48 1r3b n ALA 33 Ca 0.00 1.59 -0.39 0.00 0.00 0.00 0.00 53.44 54.64 1r3b n ALA 33 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.07 1r3b n ALA 33 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1r3b s THR 34 N -0.63 5.12 -0.25 0.00 -1.32 -1.26 -5.04 115.64 112.26 1r3b s THR 34 Ca -0.16 1.16 -0.02 0.00 -1.21 0.00 0.00 61.69 61.45 1r3b s THR 34 Cb 0.01 -3.91 0.14 0.00 -1.51 0.00 0.00 72.50 67.23 1r3b s THR 34 CO 0.44 0.27 0.40 -0.22 -2.21 0.00 0.00 174.62 173.30 1r3b s LEU 35 N 0.84 -0.72 -0.33 9.08 0.20 -1.26 -5.10 118.68 121.39 1r3b s LEU 35 Ca 0.30 0.24 -0.02 0.00 0.69 0.00 0.00 54.13 55.34 1r3b s LEU 35 Cb -0.16 1.21 0.19 0.00 -0.43 0.00 0.00 46.19 47.00 1r3b s LEU 35 CO 0.13 -0.30 0.84 -0.83 -0.29 0.00 0.00 176.35 175.91 1r3b s GLY 36 N 2.57 -1.24 0.03 7.98 0.00 -1.26 -5.16 107.32 110.24 1r3b s GLY 36 Ca 0.13 1.23 -0.01 0.00 0.00 0.00 0.00 44.72 46.08 1r3b s GLY 36 CO -0.17 3.96 -0.02 -1.35 0.00 0.00 0.00 173.10 175.52 1r3b s SER 37 N 2.43 0.29 -0.30 1.64 1.04 -1.26 -5.07 113.70 112.47 1r3b s SER 37 Ca 0.18 -0.61 0.18 0.00 0.48 0.00 0.00 55.95 56.18 1r3b s SER 37 Cb -0.03 0.13 0.46 0.00 0.10 0.00 0.00 66.02 66.69 1r3b s SER 37 CO -0.18 -0.39 1.27 0.61 0.98 0.00 0.00 173.24 175.54 1r3b n GLY 38 N 1.19 1.84 2.76 7.32 0.00 -1.26 -5.09 105.19 111.96 1r3b n GLY 38 Ca -0.21 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.64 0.55 -0.05 1.61 0.01 -1.26 -5.04 114.94 108.11 1r3b s ASN 39 Ca 0.20 0.12 -0.24 0.00 -0.71 0.00 0.00 52.86 52.23 1r3b s ASN 39 Cb 0.38 -0.02 -0.24 0.00 0.41 0.00 0.00 41.25 41.78 1r3b s ASN 39 CO -0.07 -0.19 1.02 0.25 -1.51 0.00 0.00 177.10 176.60 1r3b h LEU 40 N 7.86 0.24 -0.18 0.60 7.12 -1.98 -2.84 115.31 126.13 1r3b h LEU 40 Ca -0.29 -0.78 -0.03 0.00 0.13 0.00 0.00 57.88 56.91 1r3b h LEU 40 Cb 1.12 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 1r3b h LEU 40 CO 0.30 0.99 -0.02 0.03 -0.13 0.00 0.00 178.44 179.62 1r3b h ARG 41 N -0.49 0.32 -0.07 1.25 -0.00 -1.99 -2.75 114.38 110.66 1r3b h ARG 41 Ca -0.03 -0.11 0.02 0.00 -0.50 0.00 0.00 59.98 59.36 1r3b h ARG 41 Cb 1.03 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.97 1r3b h ARG 41 CO 0.05 0.56 0.06 1.96 0.00 0.00 0.00 179.97 182.59 1r3b h GLN 42 N 0.05 0.00 0.00 0.04 4.20 -1.84 0.59 115.11 118.15 1r3b h GLN 42 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1r3b h GLN 42 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1r3b h GLN 42 CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1r3b n ALA 43 N -2.49 2.28 -0.04 3.87 0.00 -1.07 -3.54 120.51 119.51 1r3b n ALA 43 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1r3b n ALA 43 Cb 0.16 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1r3b n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3b n VAL 44 N -2.27 1.57 -4.95 0.00 0.31 0.14 -4.89 118.33 108.23 1r3b n VAL 44 Ca 0.06 -0.79 -0.31 0.00 -0.01 0.00 0.00 64.34 63.28 1r3b n VAL 44 Cb 0.43 -0.97 -0.17 0.00 -0.91 0.00 0.00 33.84 32.22 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1r3b s MET 45 N -2.57 2.87 -0.78 5.55 0.00 -0.82 -4.95 119.30 118.61 1r3b s MET 45 Ca -0.08 -0.81 -0.33 0.00 0.00 0.00 0.00 55.69 54.47 1r3b s MET 45 Cb 0.07 -2.24 -0.18 0.00 0.00 0.00 0.00 34.83 32.48 1r3b s MET 45 CO 0.82 0.09 2.51 -0.11 0.00 0.00 0.00 175.02 178.33 1r3b n LEU 46 N 3.75 0.82 -4.85 4.11 7.94 -1.26 -4.71 117.00 122.81 1r3b n LEU 46 Ca -0.20 0.20 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 1r3b n LEU 46 Cb 0.52 -1.04 -0.06 0.00 0.53 0.00 0.00 43.42 43.38 1r3b n LEU 46 CO 0.27 -0.85 0.47 -2.16 -1.11 0.00 0.00 177.39 174.02 1r3b s PRO 47 N 8.09 3.99 0.04 1.96 0.04 -1.26 -4.79 135.00 143.07 1r3b s PRO 47 Ca 1.25 0.72 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1r3b s PRO 47 Cb -1.12 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1r3b s PRO 47 CO 0.49 0.07 0.00 0.39 0.04 0.00 0.00 177.00 177.99 1r3b n GLU 48 N -0.66 -5.15 0.00 4.56 -0.58 -1.26 -4.80 120.64 112.75 1r3b n GLU 48 Ca 0.04 3.71 0.00 0.00 -0.42 0.00 0.00 57.16 60.49 1r3b n GLU 48 Cb 0.53 -4.59 0.00 0.00 -0.57 0.00 0.00 31.44 26.82 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r3b n GLY 49 N 1.88 0.92 2.77 0.62 0.00 -1.26 -4.68 105.19 105.44 1r3b n GLY 49 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.02 -0.31 1.61 2.02 -1.26 -4.98 118.70 115.76 1r3b s GLU 50 Ca 0.00 0.45 0.01 0.00 0.02 0.00 0.00 54.97 55.45 1r3b s GLU 50 Cb 0.00 -0.36 0.14 0.00 0.10 0.00 0.00 34.13 34.01 1r3b s GLU 50 CO 0.00 -0.30 0.32 0.34 0.02 0.00 0.00 175.26 175.64 1r3b s ASP 51 N 2.09 1.53 0.04 -0.19 -1.08 -1.26 -5.05 116.67 112.74 1r3b s ASP 51 Ca 0.02 -0.97 -0.22 0.00 -0.52 0.00 0.00 52.55 50.86 1r3b s ASP 51 Cb -0.12 0.53 -0.12 0.00 -1.46 0.00 0.00 42.92 41.75 1r3b s ASP 51 CO -0.04 -0.36 1.33 0.25 0.52 0.00 0.00 175.17 176.87 1r3b h LEU 52 N 7.95 -0.71 -1.52 -1.34 7.12 -1.99 0.12 115.31 124.95 1r3b h LEU 52 Ca -0.08 0.03 0.34 0.00 0.13 0.00 0.00 57.88 58.29 1r3b h LEU 52 Cb 1.07 0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 41.30 1r3b h LEU 52 CO 0.30 -0.47 0.78 -0.55 -0.13 0.00 0.00 178.44 178.37 1r3b h ASN 53 N -0.77 0.29 0.00 1.25 7.08 -1.96 0.60 115.58 122.07 1r3b h ASN 53 Ca -0.07 0.08 -0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1r3b h ASN 53 Cb 0.60 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 1r3b h ASN 53 CO 0.11 -0.01 -0.00 -0.08 -2.08 0.00 0.00 177.43 175.37 1r3b h GLU 54 N 0.22 -0.00 -0.63 4.14 4.81 -1.94 -3.02 114.58 118.17 1r3b h GLU 54 Ca 0.66 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 60.01 1r3b h GLU 54 Cb 2.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.31 1r3b h GLU 54 CO -0.27 0.77 0.16 2.35 -0.73 0.00 0.00 179.01 181.29 1r3b h TRP 55 N -0.77 0.26 0.06 0.92 -0.00 0.14 0.40 115.95 116.97 1r3b h TRP 55 Ca -0.00 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1r3b h TRP 55 Cb 0.77 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.89 1r3b h TRP 55 CO 0.20 -0.01 -0.11 0.82 -0.00 0.00 0.00 178.44 179.34 1r3b h ILE 56 N 0.30 0.75 -0.39 2.65 2.04 -1.22 -1.15 117.51 120.48 1r3b h ILE 56 Ca 0.33 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.14 1r3b h ILE 56 Cb 0.49 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1r3b h ILE 56 CO -0.40 0.00 0.02 0.00 0.00 0.00 0.00 178.15 177.77 1r3b h ALA 57 N 0.70 1.31 0.07 1.87 0.00 -1.21 -0.12 119.26 121.89 1r3b h ALA 57 Ca 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r3b h ALA 57 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r3b h ALA 57 CO -0.06 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.90 1r3b h VAL 58 N 0.58 0.99 0.00 0.00 2.07 0.25 -2.91 116.25 117.24 1r3b h VAL 58 Ca 0.12 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1r3b h VAL 58 Cb 0.34 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1r3b h VAL 58 CO 0.01 0.06 -0.46 0.78 0.02 0.00 0.00 177.57 177.98 1r3b h ASN 59 N -0.20 0.00 0.48 0.57 2.35 -1.11 -2.96 115.58 114.71 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 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1r3b h ASN 59 CO 0.02 0.46 -0.23 0.74 -1.65 0.00 0.00 177.43 176.77 1r3b h THR 60 N 0.00 0.52 -0.16 2.81 2.02 -0.90 0.82 112.91 118.03 1r3b h THR 60 Ca -0.00 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1r3b h THR 60 Cb 1.13 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1r3b h THR 60 CO 0.06 0.02 -0.16 0.58 0.37 0.00 0.00 175.52 176.40 1r3b h VAL 61 N -0.72 1.20 0.04 3.16 2.07 -1.60 -0.68 116.25 119.72 1r3b h VAL 61 Ca -0.07 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1r3b h VAL 61 Cb 0.53 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1r3b h VAL 61 CO 0.11 0.27 -0.02 0.44 0.02 0.00 0.00 177.57 178.39 1r3b h ASP 62 N 0.24 -0.04 0.11 0.57 3.32 -1.31 -1.52 116.42 117.79 1r3b h ASP 62 Ca 0.05 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1r3b h ASP 62 Cb 0.43 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1r3b h ASP 62 CO 0.03 0.39 -0.08 -0.26 -1.72 0.00 0.00 179.24 177.60 1r3b h PHE 63 N -0.49 -0.20 -0.90 4.55 -1.00 0.86 0.96 116.94 120.73 1r3b h PHE 63 Ca -0.01 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1r3b h PHE 63 Cb 0.45 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.02 1r3b h PHE 63 CO 0.07 -0.12 0.59 0.35 -1.61 0.00 0.00 178.31 177.58 1r3b h PHE 64 N -0.19 1.05 0.10 -0.55 3.04 -1.18 -2.01 116.94 117.20 1r3b h PHE 64 Ca -0.00 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 1r3b h PHE 64 Cb 0.17 -0.35 0.02 0.00 2.56 0.00 0.00 35.95 38.35 1r3b h PHE 64 CO -0.09 0.57 -0.82 -0.97 -2.02 0.00 0.00 178.31 174.98 1r3b h ASN 65 N 1.05 0.55 -0.60 0.41 -1.24 -0.84 -3.23 115.58 111.68 1r3b h ASN 65 Ca 0.38 -0.88 0.09 0.00 0.71 0.00 0.00 56.30 56.60 1r3b h ASN 65 Cb 0.15 -0.17 -0.07 0.00 0.73 0.00 0.00 38.32 38.95 1r3b h ASN 65 CO -0.13 1.37 0.22 1.56 -1.29 0.00 0.00 177.43 179.16 1r3b h GLN 66 N -0.19 0.39 -0.39 6.67 4.20 0.12 -1.28 115.11 124.63 1r3b h GLN 66 Ca -0.13 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1r3b h GLN 66 Cb 1.59 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.26 1r3b h GLN 66 CO 0.16 0.26 0.01 0.82 -0.67 0.00 0.00 178.83 179.41 1r3b h ILE 67 N 0.40 1.21 0.00 2.54 2.04 -1.49 -2.31 117.51 119.90 1r3b h ILE 67 Ca 0.30 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 1r3b h ILE 67 Cb 0.36 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1r3b h ILE 67 CO -0.30 0.29 -0.38 -1.13 0.00 0.00 0.00 178.15 176.63 1r3b h ASN 68 N 0.58 0.00 -0.14 1.72 -1.24 -1.29 -2.46 115.58 112.75 1r3b h ASN 68 Ca 0.12 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1r3b h ASN 68 Cb 0.35 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1r3b h ASN 68 CO 0.01 0.38 -0.02 0.24 -1.29 0.00 0.00 177.43 176.75 1r3b h MET 69 N 0.00 0.27 -0.20 6.67 2.86 -0.75 -1.06 114.93 122.72 1r3b h MET 69 Ca -0.00 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1r3b h MET 69 Cb 0.73 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1r3b h MET 69 CO 0.05 0.53 0.02 -0.07 1.06 0.00 0.00 176.91 178.51 1r3b h LEU 70 N -0.02 0.33 -1.82 1.22 3.38 -1.46 -2.77 115.31 114.17 1r3b h LEU 70 Ca 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1r3b h LEU 70 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r3b h LEU 70 CO 0.01 0.52 -0.13 0.22 0.09 0.00 0.00 178.44 179.15 1r3b h TYR 71 N 0.13 0.00 -0.16 1.13 5.03 -1.47 -2.24 116.97 119.40 1r3b h TYR 71 Ca 0.06 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.30 1r3b h TYR 71 Cb 0.34 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1r3b h TYR 71 CO 0.02 0.13 -0.20 0.78 -1.32 0.00 0.00 178.16 177.57 1r3b h GLY 72 N 0.50 0.29 1.94 1.82 0.00 -0.90 0.92 103.07 107.64 1r3b h GLY 72 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 1r3b h GLY 72 CO 0.02 0.19 -1.00 -0.91 0.00 0.00 0.00 176.54 174.83 1r3b h THR 73 N 0.25 1.61 0.00 4.70 1.35 -1.34 -3.30 112.91 116.18 1r3b h THR 73 Ca 0.04 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 1r3b h THR 73 Cb 0.51 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1r3b h THR 73 CO 0.03 0.91 -1.05 0.00 -0.25 0.00 0.00 175.52 175.17 1r3b n ILE 74 N -3.32 0.04 -0.34 6.82 0.00 -1.07 -4.37 119.36 117.11 1r3b n ILE 74 Ca -0.01 -0.11 0.17 0.00 0.00 0.00 0.00 62.75 62.81 1r3b n ILE 74 Cb 0.93 0.60 0.39 0.00 0.00 0.00 0.00 39.64 41.56 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 0.56 0.00 9.51 1.03 0.80 0.88 112.91 125.69 1r3b h THR 75 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1r3b h THR 75 Cb 0.61 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.61 1r3b h THR 75 CO 0.00 0.11 0.00 1.05 -0.01 0.00 0.00 175.52 176.67 1r3b h GLU 76 N 0.59 0.00 -0.65 0.00 4.11 -1.79 -1.39 114.58 115.45 1r3b h GLU 76 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1r3b h GLU 76 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r3b h GLU 76 CO -0.44 0.00 0.00 1.19 0.07 0.00 0.00 179.01 179.83 1r3b n PHE 77 N -2.33 1.07 -1.06 2.06 3.01 0.31 -4.97 117.46 115.53 1r3b n PHE 77 Ca 0.00 -0.54 -0.08 0.00 1.01 0.00 0.00 57.45 57.84 1r3b n PHE 77 Cb 0.15 -0.08 0.06 0.00 -0.01 0.00 0.00 39.48 39.60 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3b s THR 79 N -1.71 0.00 0.01 0.00 2.01 -1.26 -5.05 115.64 109.64 1r3b s THR 79 Ca 0.20 -1.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.11 1r3b s THR 79 Cb -0.01 -2.48 -0.34 0.00 0.01 0.00 0.00 72.50 69.68 1r3b s THR 79 CO 0.14 0.00 0.90 -0.08 -0.69 0.00 0.00 174.62 174.89 1r3b h GLU 80 N 2.53 0.50 0.09 4.92 4.81 -2.01 -3.37 114.58 122.06 1r3b h GLU 80 Ca -0.34 -0.86 -0.32 0.00 -0.13 0.00 0.00 59.36 57.72 1r3b h GLU 80 Cb 1.25 0.32 -0.02 0.00 0.63 0.00 0.00 28.75 30.93 1r3b h GLU 80 CO 0.50 1.41 -1.68 1.03 -0.73 0.00 0.00 179.01 179.53 1r3b h SER 81 N 0.13 0.29 -3.35 1.04 0.87 -1.97 -3.40 113.55 107.16 1r3b h SER 81 Ca -0.28 -0.50 -0.20 0.00 -1.23 0.00 0.00 61.79 59.57 1r3b h SER 81 Cb 2.15 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.99 1r3b h SER 81 CO 0.25 1.43 -0.24 0.35 -0.53 0.00 0.00 176.83 178.09 1r3b n THR 82 N -3.36 -0.35 -1.90 2.23 -2.24 -1.26 -1.76 114.28 105.65 1r3b n THR 82 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1r3b n THR 82 Cb 1.04 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 1.49 -5.52 -0.22 0.00 7.64 -1.26 -4.78 113.62 110.98 1r3b n SER 84 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1r3b n SER 84 Cb 0.00 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1r3b n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1r3b n VAL 85 N -3.22 0.00 -2.67 0.44 0.24 -0.72 -3.95 118.33 108.45 1r3b n VAL 85 Ca -0.22 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 1r3b n VAL 85 Cb 0.66 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.00 1r3b n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r3b s MET 86 N 0.00 3.56 0.06 7.34 0.23 -1.26 -4.89 119.30 124.34 1r3b s MET 86 Ca 0.00 -1.24 -0.05 0.00 -1.03 0.00 0.00 55.69 53.36 1r3b s MET 86 Cb 0.00 -5.15 -0.02 0.00 -1.53 0.00 0.00 34.83 28.13 1r3b s MET 86 CO 0.00 -2.08 0.09 -1.12 -2.03 0.00 0.00 175.02 169.88 1r3b s SER 87 N 4.52 0.25 -0.55 -1.18 0.01 -1.25 -4.94 113.70 110.57 1r3b s SER 87 Ca 0.41 -0.71 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1r3b s SER 87 Cb -0.02 0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.60 1r3b s SER 87 CO -0.08 -0.61 0.45 0.00 0.41 0.00 0.00 173.24 173.41 1r3b s ALA 88 N -3.42 3.56 0.00 1.44 0.00 -1.26 -4.97 121.76 117.12 1r3b s ALA 88 Ca 0.02 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1r3b s ALA 88 Cb 0.04 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1r3b s ALA 88 CO -0.08 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.09 1r3b n GLY 89 N 4.77 0.23 0.25 0.00 0.00 -1.26 -3.99 105.19 105.19 1r3b n GLY 89 Ca -0.06 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.74 -0.81 1.61 0.13 -2.01 -3.45 132.00 128.20 1r3b h PRO 90 Ca 0.00 -0.33 0.19 0.00 -0.87 0.00 0.00 66.00 65.00 1r3b h PRO 90 Cb 0.00 -0.02 -0.25 0.00 0.13 0.00 0.00 31.00 30.86 1r3b h PRO 90 CO 0.00 0.94 0.29 -0.98 -0.23 0.00 0.00 178.00 178.01 1r3b s ARG 91 N -4.49 0.24 0.00 0.86 1.70 -1.26 -5.13 118.95 110.87 1r3b s ARG 91 Ca -0.09 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 1r3b s ARG 91 Cb 0.13 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1r3b s ARG 91 CO 0.84 -0.08 0.00 0.98 -1.08 0.00 0.00 175.30 175.95 1r3b n TYR 92 N 4.89 -0.84 -3.96 5.89 9.36 -1.26 -4.89 117.16 126.36 1r3b n TYR 92 Ca -0.08 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.04 1r3b n TYR 92 Cb 0.53 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.17 1r3b n TYR 92 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1r3b s GLU 93 N -1.63 1.03 -0.17 2.98 -6.30 -1.26 -4.61 118.70 108.74 1r3b s GLU 93 Ca 0.00 -1.14 -0.14 0.00 -2.50 0.00 0.00 54.97 51.18 1r3b s GLU 93 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 34.13 34.43 1r3b s GLU 93 CO 0.00 -0.35 0.32 1.52 0.02 0.00 0.00 175.26 176.77 1r3b s TYR 94 N -3.95 3.44 -0.30 5.30 -0.85 -1.26 -4.90 117.35 114.83 1r3b s TYR 94 Ca 0.14 0.60 -0.19 0.00 -0.52 0.00 0.00 57.07 57.10 1r3b s TYR 94 Cb 0.04 -2.39 0.18 0.00 0.38 0.00 0.00 41.96 40.18 1r3b s TYR 94 CO -0.03 0.18 1.25 -1.01 -1.52 0.00 0.00 175.55 174.42 1r3b s HIS 95 N 0.67 -0.10 0.11 -3.49 3.76 -1.26 -5.15 115.29 109.82 1r3b s HIS 95 Ca 0.17 0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1r3b s HIS 95 Cb -0.13 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.54 1r3b s HIS 95 CO 0.05 -0.05 1.10 -1.58 -0.85 0.00 0.00 174.74 173.40 1r3b s TRP 96 N 2.50 3.58 -0.59 1.40 0.52 -1.26 -4.98 118.94 120.11 1r3b s TRP 96 Ca -0.04 1.55 -0.27 0.00 0.02 0.00 0.00 56.10 57.35 1r3b s TRP 96 Cb -0.04 -3.27 0.03 0.00 -1.15 0.00 0.00 33.47 29.04 1r3b s TRP 96 CO -0.12 -0.63 1.16 0.00 0.02 0.00 0.00 176.95 177.39 1r3b s ALA 97 N 0.38 3.00 0.27 0.98 0.00 -1.26 -4.56 121.76 120.57 1r3b s ALA 97 Ca 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1r3b s ALA 97 Cb -0.27 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1r3b s ALA 97 CO 0.31 -2.67 0.00 -0.25 0.00 0.00 0.00 175.76 173.15 1r3b n ASP 98 N 8.37 -2.13 0.00 0.00 8.00 -1.26 -5.07 116.55 124.46 1r3b n ASP 98 Ca 0.07 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1r3b n ASP 98 Cb 0.49 2.16 0.00 0.00 -0.02 0.00 0.00 41.12 43.75 1r3b n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3b n GLY 99 N -0.93 1.41 3.79 0.44 0.00 -1.26 -5.13 105.19 103.50 1r3b n GLY 99 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.61 0.47 2.61 -4.23 -1.26 -5.06 115.64 112.77 1r3b s THR 100 Ca 0.00 1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 61.79 1r3b s THR 100 Cb 0.00 -4.02 -0.09 0.00 1.34 0.00 0.00 72.50 69.74 1r3b s THR 100 CO 0.00 0.51 0.94 0.54 -0.54 0.00 0.00 174.62 176.07 1r3b s ASN 101 N -0.92 6.72 -0.24 3.99 4.22 -1.26 -5.02 114.94 122.43 1r3b s ASN 101 Ca 0.33 1.54 -0.16 0.00 -2.14 0.00 0.00 52.86 52.43 1r3b s ASN 101 Cb -0.21 -2.49 -0.12 0.00 1.28 0.00 0.00 41.25 39.71 1r3b s ASN 101 CO 0.22 -0.48 -0.18 -0.38 -2.04 0.00 0.00 177.10 174.24 1r3b n ILE 102 N -1.19 1.52 -3.70 0.54 2.08 -1.26 -5.10 119.36 112.24 1r3b n ILE 102 Ca 0.06 -0.17 -0.01 0.00 0.56 0.00 0.00 62.75 63.20 1r3b n ILE 102 Cb 0.54 -2.03 0.01 0.00 -0.75 0.00 0.00 39.64 37.41 1r3b n ILE 102 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1r3b n LYS 103 N -4.36 0.22 -1.95 0.38 4.81 -1.26 -5.17 118.16 110.83 1r3b n LYS 103 Ca -0.39 -0.54 -0.31 0.00 -0.87 0.00 0.00 58.31 56.20 1r3b n LYS 103 Cb 0.73 0.76 0.01 0.00 0.02 0.00 0.00 35.03 36.55 1r3b n LYS 103 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1r3b s LYS 104 N -2.02 3.56 0.16 1.64 1.02 -1.26 -4.98 119.74 117.86 1r3b s LYS 104 Ca 0.10 0.85 -0.33 0.00 0.02 0.00 0.00 55.97 56.61 1r3b s LYS 104 Cb -0.01 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 35.10 1r3b s LYS 104 CO 0.02 -0.60 1.66 -0.35 -0.92 0.00 0.00 175.35 175.15 1r3b n PRO 105 N -2.52 2.37 -3.76 -1.68 -0.04 -1.26 -4.99 135.00 123.12 1r3b n PRO 105 Ca 0.06 0.86 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1r3b n PRO 105 Cb 0.54 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 1r3b n PRO 105 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1r3b s ILE 106 N 1.32 0.10 -0.03 0.52 1.10 -1.26 -5.12 121.20 117.82 1r3b s ILE 106 Ca 0.79 -0.81 -0.30 0.00 -0.51 0.00 0.00 60.65 59.82 1r3b s ILE 106 Cb -0.62 -1.11 -0.06 0.00 0.15 0.00 0.00 42.46 40.82 1r3b s ILE 106 CO 0.37 -0.45 1.63 -1.59 -2.11 0.00 0.00 174.94 172.80 1r3b s LYS 107 N -3.23 4.19 -0.29 3.50 -2.85 -1.26 -4.98 119.74 114.82 1r3b s LYS 107 Ca -0.00 2.20 -0.10 0.00 -1.00 0.00 0.00 55.97 57.06 1r3b s LYS 107 Cb 0.01 -3.89 -0.02 0.00 -2.06 0.00 0.00 37.83 31.87 1r3b s LYS 107 CO -0.08 -0.80 0.16 0.00 0.10 0.00 0.00 175.35 174.73 1r3b n SER 109 N 5.01 0.00 0.30 0.00 7.64 -1.26 -4.82 113.62 120.48 1r3b n SER 109 Ca -0.14 -0.74 -0.12 0.00 1.01 0.00 0.00 58.87 58.88 1r3b n SER 109 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.14 -0.96 0.00 -0.43 0.00 -1.79 0.12 119.26 116.06 1r3b h ALA 110 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r3b h ALA 110 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1r3b h ALA 110 CO 0.00 -0.90 -0.02 -1.00 0.00 0.00 0.00 179.25 177.33 1r3b h PRO 111 N -0.98 0.00 0.23 0.00 0.13 -1.96 -2.35 132.00 127.06 1r3b h PRO 111 Ca -0.08 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.73 1r3b h PRO 111 Cb 0.60 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.76 1r3b h PRO 111 CO 0.13 0.02 -1.43 0.87 -0.23 0.00 0.00 178.00 177.36 1r3b h LYS 112 N 0.00 0.48 -0.97 0.86 1.57 -1.93 -3.25 116.57 113.34 1r3b h LYS 112 Ca -0.00 -0.82 0.08 0.00 -1.87 0.00 0.00 60.65 58.04 1r3b h LYS 112 Cb 0.07 0.30 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1r3b h LYS 112 CO 0.00 1.39 0.62 -0.92 -0.57 0.00 0.00 179.45 179.98 1r3b h TYR 113 N 0.05 1.13 0.52 -1.35 3.20 -0.22 -1.83 116.97 118.47 1r3b h TYR 113 Ca -0.26 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.62 1r3b h TYR 113 Cb 2.08 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 39.98 1r3b h TYR 113 CO 0.14 0.56 -0.25 0.82 -1.64 0.00 0.00 178.16 177.79 1r3b h ILE 114 N 1.08 0.48 -0.78 1.81 5.03 -1.61 -2.22 117.51 121.30 1r3b h ILE 114 Ca 0.43 -0.10 0.20 0.00 -0.12 0.00 0.00 64.86 65.27 1r3b h ILE 114 Cb 0.25 0.53 -0.04 0.00 -3.03 0.00 0.00 36.82 34.52 1r3b h ILE 114 CO -0.18 0.02 0.54 -0.78 -0.68 0.00 0.00 178.15 177.07 1r3b h ASP 115 N -0.75 0.18 -0.33 1.72 3.58 -1.50 0.17 116.42 119.50 1r3b h ASP 115 Ca -0.07 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1r3b h ASP 115 Cb 0.56 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1r3b h ASP 115 CO 0.12 0.08 -0.01 1.88 -2.88 0.00 0.00 179.24 178.42 1r3b h TYR 116 N 0.19 0.64 -0.28 0.28 -1.99 -0.86 0.34 116.97 115.29 1r3b h TYR 116 Ca 0.38 -0.12 -0.19 0.00 2.00 0.00 0.00 58.73 60.81 1r3b h TYR 116 Cb 1.23 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.80 1r3b h TYR 116 CO -0.00 0.72 -0.56 1.25 -0.00 0.00 0.00 178.16 179.56 1r3b h LEU 117 N 0.38 0.98 -0.91 3.88 5.85 -0.39 -3.05 115.31 122.06 1r3b h LEU 117 Ca 0.09 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1r3b h LEU 117 Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1r3b h LEU 117 CO 0.02 1.34 -0.39 0.24 -0.34 0.00 0.00 178.44 179.31 1r3b h MET 118 N 0.66 0.00 0.68 1.25 2.86 -0.72 -3.13 114.93 116.53 1r3b h MET 118 Ca 0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1r3b h MET 118 Cb 1.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.84 1r3b h MET 118 CO 0.13 0.39 -0.33 1.15 1.06 0.00 0.00 176.91 179.31 1r3b h THR 119 N 0.00 0.28 -0.79 2.22 2.02 -0.22 0.17 112.91 116.59 1r3b h THR 119 Ca -0.00 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.14 1r3b h THR 119 Cb 0.92 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1r3b h THR 119 CO 0.05 0.02 0.52 -0.25 0.37 0.00 0.00 175.52 176.22 1r3b h TRP 120 N -1.02 0.75 -0.07 3.16 7.01 -1.58 -0.13 115.95 124.07 1r3b h TRP 120 Ca -0.09 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.82 1r3b h TRP 120 Cb 0.73 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1r3b h TRP 120 CO -0.01 0.34 -0.37 0.28 -2.79 0.00 0.00 178.44 175.90 1r3b h VAL 121 N 0.70 1.41 0.00 2.65 2.07 -1.46 -3.14 116.25 118.47 1r3b h VAL 121 Ca 0.37 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1r3b h VAL 121 Cb 0.49 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1r3b h VAL 121 CO -0.14 0.51 0.00 0.06 0.02 0.00 0.00 177.57 178.02 1r3b h GLN 122 N -0.09 0.00 -0.26 1.57 3.07 -0.08 -2.99 115.11 116.33 1r3b h GLN 122 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.76 1r3b h GLN 122 Cb 1.02 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.54 1r3b h GLN 122 CO 0.08 0.00 -0.03 0.22 0.09 0.00 0.00 178.83 179.19 1r3b h ASP 123 N 0.00 -0.16 -0.28 0.06 1.82 -0.98 0.37 116.42 117.24 1r3b h ASP 123 Ca 0.00 0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.61 1r3b h ASP 123 Cb 0.33 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1r3b h ASP 123 CO 0.00 -0.05 -0.18 1.56 -1.61 0.00 0.00 179.24 178.96 1r3b h GLN 124 N 0.04 0.62 0.00 0.28 7.50 -1.67 0.93 115.11 122.82 1r3b h GLN 124 Ca 0.12 -0.29 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1r3b h GLN 124 Cb 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1r3b h GLN 124 CO -0.23 0.88 0.01 -0.07 -1.50 0.00 0.00 178.83 177.92 1r3b h LEU 125 N 0.36 0.00 -2.73 1.46 3.38 -1.39 -0.07 115.31 116.32 1r3b h LEU 125 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r3b h LEU 125 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1r3b h LEU 125 CO 0.05 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.91 1r3b n ASP 126 N -2.98 2.06 -3.75 -0.43 -0.08 0.12 -4.88 116.55 106.62 1r3b n ASP 126 Ca -0.03 -1.88 -0.30 0.00 -1.51 0.00 0.00 54.79 51.07 1r3b n ASP 126 Cb 0.08 -0.04 -0.13 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.89 3.80 0.45 1.67 1.11 0.32 -4.99 116.67 118.12 1r3b s ASP 127 Ca 0.05 -2.56 0.00 0.00 0.18 0.00 0.00 52.55 50.21 1r3b s ASP 127 Cb 0.02 -1.11 0.00 0.00 1.07 0.00 0.00 42.92 42.91 1r3b s ASP 127 CO 0.03 -0.28 0.00 1.21 1.18 0.00 0.00 175.17 177.31 1r3b n GLU 128 N 3.64 0.01 -0.89 8.23 2.13 -1.26 -4.13 120.64 128.37 1r3b n GLU 128 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1r3b n GLU 128 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1r3b n GLU 128 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1r3b n THR 129 N -1.93 0.00 -1.76 6.31 -2.24 -1.26 -4.66 114.28 108.73 1r3b n THR 129 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1r3b n THR 129 Cb 0.00 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1r3b n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3b n LEU 130 N 0.00 0.00 -4.33 3.22 -0.00 -1.26 -4.75 117.00 109.88 1r3b n LEU 130 Ca 0.00 -0.69 -0.17 0.00 -0.00 0.00 0.00 56.01 55.15 1r3b n LEU 130 Cb 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.37 1r3b n LEU 130 CO 0.00 0.41 -0.31 -0.36 -0.00 0.00 0.00 177.39 177.14 1r3b s PHE 131 N 0.00 1.55 -0.83 1.47 0.40 -1.26 -4.90 117.98 114.42 1r3b s PHE 131 Ca 0.00 -0.99 -0.22 0.00 -0.60 0.00 0.00 56.93 55.12 1r3b s PHE 131 Cb 0.00 -0.92 -0.19 0.00 0.51 0.00 0.00 43.02 42.42 1r3b s PHE 131 CO 0.00 -0.12 2.36 -0.35 0.70 0.00 0.00 175.22 177.82 1r3b n PRO 132 N -0.43 0.43 0.21 0.24 -0.04 -1.26 -4.05 135.00 130.10 1r3b n PRO 132 Ca -0.04 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1r3b n PRO 132 Cb 0.65 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1r3b n PRO 132 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1r3b n SER 133 N 14.60 -3.28 -4.41 3.54 3.41 -1.26 -5.14 113.62 121.07 1r3b n SER 133 Ca 0.52 0.81 -0.21 0.00 -0.26 0.00 0.00 58.87 59.73 1r3b n SER 133 Cb 0.35 3.10 -0.10 0.00 -0.26 0.00 0.00 64.21 67.30 1r3b n SER 133 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1r3b s LYS 134 N -1.94 1.51 0.40 4.33 -2.85 -1.26 -5.15 119.74 114.79 1r3b s LYS 134 Ca 0.00 -1.74 -0.14 0.00 -1.00 0.00 0.00 55.97 53.10 1r3b s LYS 134 Cb 0.00 -1.22 -0.08 0.00 -2.06 0.00 0.00 37.83 34.47 1r3b s LYS 134 CO 0.00 0.11 0.81 0.42 0.10 0.00 0.00 175.35 176.79 1r3b s ILE 135 N -2.94 4.68 0.00 3.79 -1.09 -1.26 -4.64 121.20 119.74 1r3b s ILE 135 Ca 0.28 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1r3b s ILE 135 Cb 0.02 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1r3b s ILE 135 CO 0.11 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 173.99 1r3b n GLY 136 N -1.02 2.55 3.76 6.18 0.00 -1.26 -5.11 105.19 110.29 1r3b n GLY 136 Ca 0.04 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1r3b n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3b s VAL 137 N 0.00 3.27 -0.08 1.61 0.11 -1.26 -4.97 120.40 119.08 1r3b s VAL 137 Ca 0.00 1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.98 1r3b s VAL 137 Cb 0.00 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1r3b s VAL 137 CO 0.00 0.27 1.51 -2.16 -3.33 0.00 0.00 175.10 171.39 1r3b s PRO 138 N -1.24 4.21 -0.09 1.54 0.04 -1.26 -4.93 135.00 133.26 1r3b s PRO 138 Ca 0.48 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 63.29 1r3b s PRO 138 Cb -0.34 -3.88 -0.21 0.00 0.04 0.00 0.00 34.50 30.11 1r3b s PRO 138 CO 0.43 -0.78 0.85 0.74 0.04 0.00 0.00 177.00 178.28 1r3b h PHE 139 N 8.96 -0.04 -1.00 0.56 0.04 -1.97 -2.04 116.94 121.45 1r3b h PHE 139 Ca -0.35 -0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.93 1r3b h PHE 139 Cb 1.16 0.01 -0.17 0.00 2.20 0.00 0.00 35.95 39.15 1r3b h PHE 139 CO 0.85 0.64 0.38 -0.35 -0.60 0.00 0.00 178.31 179.23 1r3b n PRO 140 N -4.75 2.35 0.00 1.51 -0.04 -1.26 -2.30 135.00 130.51 1r3b n PRO 140 Ca -0.08 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1r3b n PRO 140 Cb 0.34 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.84 0.00 0.02 0.54 5.02 -1.25 -4.91 118.16 118.41 1r3b n LYS 141 Ca 0.47 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1r3b n LYS 141 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.50 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1r3b h ASN 142 N 0.00 -0.13 -0.27 4.39 -1.24 -1.77 -2.47 115.58 114.09 1r3b h ASN 142 Ca 0.00 -0.41 0.07 0.00 0.71 0.00 0.00 56.30 56.67 1r3b h ASN 142 Cb 0.00 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1r3b h ASN 142 CO 0.00 0.49 0.19 0.15 -1.29 0.00 0.00 177.43 176.97 1r3b h PHE 143 N -0.91 0.05 -0.10 0.67 3.04 -1.48 0.21 116.94 118.42 1r3b h PHE 143 Ca -0.02 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.85 1r3b h PHE 143 Cb 0.53 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1r3b h PHE 143 CO 0.10 0.03 -0.27 1.98 -2.02 0.00 0.00 178.31 178.13 1r3b h MET 144 N 0.05 0.35 -0.25 1.11 4.05 -1.50 0.44 114.93 119.17 1r3b h MET 144 Ca 0.12 -0.25 -0.10 0.00 -0.28 0.00 0.00 59.70 59.20 1r3b h MET 144 Cb 0.44 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1r3b h MET 144 CO -0.01 0.87 -0.27 1.03 0.23 0.00 0.00 176.91 178.75 1r3b h SER 145 N -0.11 0.49 0.04 1.39 0.87 -0.87 0.30 113.55 115.67 1r3b h SER 145 Ca -0.01 -0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 60.15 1r3b h SER 145 Cb 0.88 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1r3b h SER 145 CO 0.06 0.76 -0.91 1.62 -0.53 0.00 0.00 176.83 177.83 1r3b h VAL 146 N 0.43 1.35 -0.16 2.23 3.04 -1.01 -1.75 116.25 120.37 1r3b h VAL 146 Ca 0.06 -2.26 -0.16 0.00 -1.01 0.00 0.00 66.70 63.34 1r3b h VAL 146 Cb 0.70 2.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.58 1r3b h VAL 146 CO 0.05 0.68 -0.56 0.00 -1.01 0.00 0.00 177.57 176.73 1r3b h ALA 147 N 0.32 0.73 -0.00 3.17 0.00 -0.83 -3.08 119.26 119.56 1r3b h ALA 147 Ca -0.12 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.04 1r3b h ALA 147 Cb 1.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1r3b h ALA 147 CO 0.18 0.69 -0.95 1.57 0.00 0.00 0.00 179.25 180.74 1r3b h LYS 148 N 0.38 0.47 -0.72 0.00 5.09 -0.47 -3.26 116.57 118.06 1r3b h LYS 148 Ca 0.00 -0.50 -0.05 0.00 0.09 0.00 0.00 60.65 60.19 1r3b h LYS 148 Cb 1.09 0.14 -0.03 0.00 0.10 0.00 0.00 32.23 33.53 1r3b h LYS 148 CO 0.10 1.15 0.25 0.00 -2.09 0.00 0.00 179.45 178.86 1r3b h THR 149 N 0.27 1.25 -0.44 0.07 1.03 -1.33 -2.07 112.91 111.70 1r3b h THR 149 Ca -0.09 -0.84 -0.03 0.00 -0.01 0.00 0.00 66.41 65.44 1r3b h THR 149 Cb 1.59 0.43 -0.02 0.00 -1.07 0.00 0.00 68.15 69.08 1r3b h THR 149 CO 0.17 0.33 0.16 0.16 -0.01 0.00 0.00 175.52 176.33 1r3b h ILE 150 N 1.06 1.21 -0.59 0.00 3.07 -1.61 -2.23 117.51 118.42 1r3b h ILE 150 Ca 0.24 -0.67 -0.05 0.00 1.55 0.00 0.00 64.86 65.93 1r3b h ILE 150 Cb 0.26 0.83 -0.03 0.00 -0.27 0.00 0.00 36.82 37.61 1r3b h ILE 150 CO -0.01 0.24 0.16 -0.07 -1.05 0.00 0.00 178.15 177.42 1r3b h LEU 151 N 0.57 0.84 -0.21 0.16 3.38 -1.56 0.33 115.31 118.81 1r3b h LEU 151 Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r3b h LEU 151 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r3b h LEU 151 CO -0.01 0.81 0.12 0.11 0.09 0.00 0.00 178.44 179.56 1r3b h LYS 152 N 0.87 0.29 0.00 1.13 1.79 -1.10 -1.59 116.57 117.96 1r3b h LYS 152 Ca 0.19 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.49 1r3b h LYS 152 Cb 0.29 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1r3b h LYS 152 CO -0.00 0.25 -0.66 -0.09 -1.08 0.00 0.00 179.45 177.87 1r3b h ARG 153 N 0.25 0.00 0.04 3.15 2.43 -1.19 -3.28 114.38 115.77 1r3b h ARG 153 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1r3b h ARG 153 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1r3b h ARG 153 CO -0.01 0.66 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.02 1r3b h LEU 154 N 0.00 -0.04 -0.98 3.80 3.38 0.02 -2.79 115.31 118.69 1r3b h LEU 154 Ca -0.01 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.09 1r3b h LEU 154 Cb 1.25 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.89 1r3b h LEU 154 CO 0.09 0.08 0.57 0.15 0.09 0.00 0.00 178.44 179.41 1r3b h PHE 155 N -0.16 0.97 -0.92 1.13 3.04 -1.35 0.26 116.94 119.90 1r3b h PHE 155 Ca -0.01 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.15 1r3b h PHE 155 Cb 0.14 -0.27 -0.10 0.00 2.56 0.00 0.00 35.95 38.28 1r3b h PHE 155 CO -0.04 0.08 0.50 0.00 -2.02 0.00 0.00 178.31 176.84 1r3b h ARG 156 N 0.59 0.64 -0.60 1.11 3.08 -1.59 0.45 114.38 118.05 1r3b h ARG 156 Ca 0.62 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.60 1r3b h ARG 156 Cb 1.13 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1r3b h ARG 156 CO -0.46 0.42 0.27 0.28 -1.07 0.00 0.00 179.97 179.41 1r3b h VAL 157 N 0.66 1.20 0.31 2.04 2.07 -0.53 0.45 116.25 122.46 1r3b h VAL 157 Ca 0.52 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1r3b h VAL 157 Cb 0.80 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1r3b h VAL 157 CO -0.39 0.24 -0.15 0.22 0.02 0.00 0.00 177.57 177.51 1r3b h TYR 158 N 0.85 -0.39 -0.00 1.57 3.20 -0.02 -2.32 116.97 119.86 1r3b h TYR 158 Ca 0.21 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1r3b h TYR 158 Cb 0.12 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1r3b h TYR 158 CO 0.01 -0.06 -0.39 0.00 -1.64 0.00 0.00 178.16 176.08 1r3b h ALA 159 N -0.22 1.36 0.50 1.82 0.00 -0.84 -1.07 119.26 120.80 1r3b h ALA 159 Ca -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1r3b h ALA 159 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1r3b h ALA 159 CO 0.07 0.49 -0.24 1.25 0.00 0.00 0.00 179.25 180.82 1r3b h HIS 160 N 0.00 -0.62 -0.36 0.00 -0.00 -0.08 -2.21 115.15 111.88 1r3b h HIS 160 Ca -0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.27 1r3b h HIS 160 Cb 0.69 0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 1r3b h HIS 160 CO 0.00 -0.30 -0.11 -0.84 -0.00 0.00 0.00 177.93 176.69 1r3b h ILE 161 N -0.93 1.24 0.19 6.26 -0.00 -1.42 -1.12 117.51 121.73 1r3b h ILE 161 Ca -0.07 -1.07 0.01 0.00 -0.00 0.00 0.00 64.86 63.73 1r3b h ILE 161 Cb 0.60 1.08 -0.03 0.00 -0.00 0.00 0.00 36.82 38.47 1r3b h ILE 161 CO 0.11 0.36 -0.31 0.22 -0.00 0.00 0.00 178.15 178.54 1r3b h TYR 162 N 0.57 -0.83 0.00 0.16 5.03 -1.17 0.83 116.97 121.56 1r3b h TYR 162 Ca 0.10 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 1r3b h TYR 162 Cb 0.52 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 1r3b h TYR 162 CO 0.02 -0.42 -0.45 0.45 -1.32 0.00 0.00 178.16 176.44 1r3b h HIS 163 N -0.57 0.00 0.00 -3.82 3.86 -1.34 -2.89 115.15 110.39 1r3b h HIS 163 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1r3b h HIS 163 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1r3b h HIS 163 CO -0.24 0.45 -0.00 0.37 0.86 0.00 0.00 177.93 179.37 1r3b h GLN 164 N 0.00 -0.00 -2.41 2.45 -0.00 -0.69 -3.41 115.11 111.05 1r3b h GLN 164 Ca -0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.95 1r3b h GLN 164 Cb 0.96 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 28.08 1r3b h GLN 164 CO 0.06 -0.00 0.08 0.72 0.00 0.00 0.00 178.83 179.69 1r3b n HIS 165 N -3.95 3.21 -0.01 3.99 -0.00 0.28 -4.83 115.22 113.92 1r3b n HIS 165 Ca -0.00 -3.39 -0.13 0.00 -0.00 0.00 0.00 57.72 54.20 1r3b n HIS 165 Cb 0.00 -0.85 -0.09 0.00 -0.00 0.00 0.00 29.99 29.05 1r3b n HIS 165 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1r3b h PHE 166 N 4.22 0.02 -0.85 4.41 3.04 -1.62 -3.10 116.94 123.06 1r3b h PHE 166 Ca 0.25 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.22 1r3b h PHE 166 Cb 0.54 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.00 1r3b h PHE 166 CO 0.95 0.40 0.56 0.22 -2.02 0.00 0.00 178.31 178.42 1r3b h ASP 167 N -0.36 0.94 -0.52 0.41 1.82 -1.88 -1.37 116.42 115.46 1r3b h ASP 167 Ca 0.00 -0.02 0.11 0.00 -0.39 0.00 0.00 57.03 56.74 1r3b h ASP 167 Cb 0.39 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1r3b h ASP 167 CO 0.00 0.66 0.36 0.00 -1.61 0.00 0.00 179.24 178.65 1r3b h ALA 168 N 1.49 2.22 0.35 -0.78 0.00 -1.92 0.17 119.26 120.78 1r3b h ALA 168 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1r3b h ALA 168 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1r3b h ALA 168 CO -0.09 -0.35 -0.17 0.28 0.00 0.00 0.00 179.25 178.92 1r3b h VAL 169 N 0.20 0.66 0.00 0.00 2.07 -1.18 -2.50 116.25 115.50 1r3b h VAL 169 Ca 0.25 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.63 1r3b h VAL 169 Cb 0.70 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1r3b h VAL 169 CO -0.04 0.00 -0.57 0.00 0.02 0.00 0.00 177.57 176.98 1r3b h MET 170 N -0.48 0.00 0.00 1.57 -0.00 -1.44 -3.01 114.93 111.58 1r3b h MET 170 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1r3b h MET 170 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1r3b h MET 170 CO 0.08 0.57 -0.03 1.96 -0.00 0.00 0.00 176.91 179.48 1r3b h GLN 171 N 0.00 0.00 -0.83 -0.10 1.08 -0.41 -1.60 115.11 113.26 1r3b h GLN 171 Ca -0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1r3b h GLN 171 Cb 1.06 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 1r3b h GLN 171 CO 0.07 0.03 0.06 1.47 -0.95 0.00 0.00 178.83 179.52 1r3b n LEU 172 N -3.47 3.71 -3.76 1.46 -0.00 -0.97 -4.88 117.00 109.09 1r3b n LEU 172 Ca -0.02 -1.90 -0.25 0.00 -0.00 0.00 0.00 56.01 53.84 1r3b n LEU 172 Cb 0.14 -0.61 0.04 0.00 -0.00 0.00 0.00 43.42 42.99 1r3b n LEU 172 CO 0.26 0.51 0.06 1.67 -0.00 0.00 0.00 177.39 179.88 1r3b n GLN 173 N 0.19 -5.68 -2.66 1.47 7.27 -0.60 -4.91 117.38 112.46 1r3b n GLN 173 Ca 0.17 0.65 -0.03 0.00 0.07 0.00 0.00 57.00 57.86 1r3b n GLN 173 Cb 0.81 -5.45 0.04 0.00 2.41 0.00 0.00 30.24 28.05 1r3b n GLN 173 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1r3b n GLU 174 N -4.54 0.06 -0.02 3.69 -0.58 -1.25 -5.03 120.64 112.97 1r3b n GLU 174 Ca -0.11 -0.66 -0.10 0.00 -0.42 0.00 0.00 57.16 55.86 1r3b n GLU 174 Cb 0.60 0.28 -0.14 0.00 -0.57 0.00 0.00 31.44 31.60 1r3b n GLU 174 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1r3b n GLU 175 N 2.50 0.65 0.26 3.49 2.13 -1.25 -3.98 120.64 124.45 1r3b n GLU 175 Ca 0.10 0.29 0.12 0.00 0.66 0.00 0.00 57.16 58.33 1r3b n GLU 175 Cb 0.66 -1.78 0.72 0.00 0.27 0.00 0.00 31.44 31.31 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 0.87 1.40 0.07 4.31 0.00 -1.96 -3.01 119.26 120.95 1r3b h ALA 176 Ca -0.31 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1r3b h ALA 176 Cb 2.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1r3b h ALA 176 CO 0.08 0.14 -0.26 1.25 0.00 0.00 0.00 179.25 180.46 1r3b h HIS 177 N 0.00 -0.70 0.10 0.00 2.76 -1.97 0.50 115.15 115.84 1r3b h HIS 177 Ca -0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1r3b h HIS 177 Cb 0.27 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 1r3b h HIS 177 CO 0.00 -0.36 -0.12 1.25 -1.30 0.00 0.00 177.93 177.41 1r3b h LEU 178 N -0.44 -0.31 -1.65 0.26 5.85 -1.76 0.26 115.31 117.52 1r3b h LEU 178 Ca 0.04 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1r3b h LEU 178 Cb 0.49 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1r3b h LEU 178 CO -0.18 -0.18 0.35 -1.13 -0.34 0.00 0.00 178.44 176.96 1r3b h ASN 179 N -0.25 0.37 0.10 1.25 -1.24 -1.50 0.76 115.58 115.07 1r3b h ASN 179 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1r3b h ASN 179 Cb 0.25 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1r3b h ASN 179 CO -0.05 0.24 -0.05 0.74 -1.29 0.00 0.00 177.43 177.03 1r3b h THR 180 N 0.42 1.14 -0.07 -3.57 2.02 0.91 -2.87 112.91 110.88 1r3b h THR 180 Ca 0.23 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1r3b h THR 180 Cb 0.37 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1r3b h THR 180 CO -0.06 0.26 -0.21 0.28 0.37 0.00 0.00 175.52 176.16 1r3b h SER 181 N -0.66 0.12 -0.65 4.18 0.02 0.06 -2.28 113.55 114.33 1r3b h SER 181 Ca -0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1r3b h SER 181 Cb 0.52 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1r3b h SER 181 CO 0.02 0.34 0.42 0.15 -1.14 0.00 0.00 176.83 176.62 1r3b h PHE 182 N 0.11 0.83 -0.62 3.45 3.04 0.55 -1.52 116.94 122.79 1r3b h PHE 182 Ca 0.02 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.01 1r3b h PHE 182 Cb 0.44 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 1r3b h PHE 182 CO 0.00 0.54 0.41 -0.22 -2.02 0.00 0.00 178.31 177.02 1r3b h LYS 183 N 0.89 0.74 -0.29 1.11 3.64 -1.18 -2.17 116.57 119.31 1r3b h LYS 183 Ca 0.24 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1r3b h LYS 183 Cb -0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1r3b h LYS 183 CO -0.05 0.49 0.13 1.25 -2.27 0.00 0.00 179.45 179.00 1r3b h HIS 184 N 0.76 0.43 -0.49 1.91 2.76 -1.33 1.00 115.15 120.18 1r3b h HIS 184 Ca 0.25 -0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.53 1r3b h HIS 184 Cb 0.04 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1r3b h HIS 184 CO -0.00 0.40 0.40 0.74 -1.30 0.00 0.00 177.93 178.17 1r3b h PHE 185 N 0.34 0.00 0.01 5.26 0.04 -1.29 0.11 116.94 121.40 1r3b h PHE 185 Ca 0.10 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.49 1r3b h PHE 185 Cb 0.14 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 1r3b h PHE 185 CO -0.02 0.00 -2.08 -0.89 -0.60 0.00 0.00 178.31 174.72 1r3b n ILE 186 N -4.11 1.54 -0.21 -0.55 2.08 -0.81 -3.88 119.36 113.43 1r3b n ILE 186 Ca 0.09 -0.29 -0.01 0.00 0.56 0.00 0.00 62.75 63.10 1r3b n ILE 186 Cb 0.61 -1.90 0.10 0.00 -0.75 0.00 0.00 39.64 37.71 1r3b n ILE 186 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1r3b h PHE 187 N -0.87 0.51 0.18 1.39 3.04 0.13 0.55 116.94 121.87 1r3b h PHE 187 Ca -0.56 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.41 1r3b h PHE 187 Cb 1.55 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.93 1r3b h PHE 187 CO -0.01 0.19 -0.09 0.35 -2.02 0.00 0.00 178.31 176.74 1r3b h PHE 188 N 0.52 -0.22 -0.67 0.41 3.57 -0.99 0.29 116.94 119.85 1r3b h PHE 188 Ca 0.30 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1r3b h PHE 188 Cb 0.30 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1r3b h PHE 188 CO -0.13 -0.13 0.13 -0.24 -2.23 0.00 0.00 178.31 175.71 1r3b h VAL 189 N -0.25 1.26 0.00 1.41 3.04 -1.56 -2.67 116.25 117.47 1r3b h VAL 189 Ca -0.02 -1.01 -0.10 0.00 -1.01 0.00 0.00 66.70 64.56 1r3b h VAL 189 Cb 0.19 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1r3b h VAL 189 CO 0.04 0.38 -0.47 -0.61 -1.01 0.00 0.00 177.57 175.90 1r3b h GLN 190 N 1.01 0.00 0.30 4.17 4.15 0.27 1.27 115.11 126.29 1r3b h GLN 190 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1r3b h GLN 190 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1r3b h GLN 190 CO 0.01 0.47 -0.15 1.49 -1.93 0.00 0.00 178.83 178.72 1r3b h GLU 191 N 0.00 -0.39 -0.02 1.69 4.57 -0.09 -3.34 114.58 117.00 1r3b h GLU 191 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1r3b h GLU 191 Cb 0.85 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1r3b h GLU 191 CO 0.06 -0.07 -0.12 1.19 -1.18 0.00 0.00 179.01 178.89 1r3b n PHE 192 N -5.12 0.00 -3.61 0.92 3.01 -1.05 -4.99 117.46 106.62 1r3b n PHE 192 Ca -0.09 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.13 1r3b n PHE 192 Cb 0.26 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.81 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 0.55 -5.36 -0.33 4.37 5.15 0.44 -4.89 115.26 115.18 1r3b n ASN 193 Ca 0.09 -0.59 -0.04 0.00 -0.60 0.00 0.00 54.58 53.44 1r3b n ASN 193 Cb 0.39 -4.90 0.08 0.00 -0.53 0.00 0.00 39.78 34.83 1r3b n ASN 193 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1r3b h LEU 194 N -2.49 1.12 -9.29 1.20 7.12 -1.78 -3.44 115.31 107.75 1r3b h LEU 194 Ca -0.58 -0.11 -0.61 0.00 0.13 0.00 0.00 57.88 56.72 1r3b h LEU 194 Cb 1.37 -0.29 -0.13 0.00 -0.53 0.00 0.00 40.66 41.08 1r3b h LEU 194 CO 0.56 0.90 -0.73 -0.63 -0.13 0.00 0.00 178.44 178.41 1r3b s ILE 195 N -5.82 2.83 0.00 4.05 1.09 -1.26 -5.13 121.20 116.97 1r3b s ILE 195 Ca -0.13 -2.10 0.00 0.00 -1.10 0.00 0.00 60.65 57.32 1r3b s ILE 195 Cb 0.17 -2.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.10 1r3b s ILE 195 CO 0.83 -0.30 0.00 -0.67 -0.10 0.00 0.00 174.94 174.70 1r3b n ASP 196 N -0.45 0.17 0.15 3.58 2.03 -1.26 -4.93 116.55 115.83 1r3b n ASP 196 Ca -0.07 -0.60 0.09 0.00 0.52 0.00 0.00 54.79 54.72 1r3b n ASP 196 Cb 0.58 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.04 1r3b n ASP 196 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1r3b h ARG 197 N 0.00 0.00 -0.23 -0.67 0.11 -2.01 -3.00 114.38 108.57 1r3b h ARG 197 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1r3b h ARG 197 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1r3b h ARG 197 CO 0.00 0.12 0.12 -0.09 0.10 0.00 0.00 179.97 180.22 1r3b h ARG 198 N 0.00 0.33 0.12 0.08 2.43 -1.98 0.43 114.38 115.78 1r3b h ARG 198 Ca -0.02 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 58.83 1r3b h ARG 198 Cb 1.13 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1r3b h ARG 198 CO 0.02 0.33 -1.25 0.93 -1.51 0.00 0.00 179.97 178.48 1r3b h GLU 199 N 0.25 0.25 -0.80 0.20 3.07 -1.98 -3.24 114.58 112.33 1r3b h GLU 199 Ca 0.08 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1r3b h GLU 199 Cb 0.10 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1r3b h GLU 199 CO -0.01 1.19 0.00 1.28 -1.40 0.00 0.00 179.01 180.07 1r3b n LEU 200 N -3.51 3.32 0.15 1.33 4.77 -1.13 -4.49 117.00 117.44 1r3b n LEU 200 Ca -0.09 -1.68 -0.16 0.00 -0.03 0.00 0.00 56.01 54.05 1r3b n LEU 200 Cb 1.02 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1r3b n LEU 200 CO 0.53 0.43 0.56 0.00 -1.33 0.00 0.00 177.39 177.58 1r3b h ALA 201 N 2.98 -0.89 0.00 -1.18 0.00 -0.94 -3.17 119.26 116.05 1r3b h ALA 201 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.39 1r3b h ALA 201 Cb 1.23 0.76 0.03 0.00 0.00 0.00 0.00 17.79 19.81 1r3b h ALA 201 CO 0.24 -1.06 2.16 -0.35 0.00 0.00 0.00 179.25 180.24 1r3b n PRO 202 N -5.49 1.41 0.00 0.00 -0.04 -1.26 -3.18 135.00 126.44 1r3b n PRO 202 Ca -0.09 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1r3b n PRO 202 Cb 0.41 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 5.65 0.00 0.29 1.53 7.94 -1.20 -4.83 117.00 126.38 1r3b n LEU 203 Ca 0.39 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.45 1r3b n LEU 203 Cb 0.21 0.05 0.91 0.00 0.53 0.00 0.00 43.42 45.12 1r3b n LEU 203 CO 0.81 -0.19 1.08 1.56 -1.11 0.00 0.00 177.39 179.53 1r3b h GLN 204 N 0.00 0.00 0.00 1.96 1.08 -1.76 -2.27 115.11 114.13 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1r3b h GLN 204 CO 0.00 0.04 -0.00 0.93 -0.95 0.00 0.00 178.83 178.85 1r3b h GLU 205 N 0.00 -0.01 0.00 1.46 5.08 -1.89 -2.68 114.58 116.55 1r3b h GLU 205 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1r3b h GLU 205 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1r3b h GLU 205 CO 0.01 0.79 -0.18 1.37 -1.00 0.00 0.00 179.01 179.99 1r3b h LEU 206 N -0.82 0.00 -0.12 1.33 8.10 -1.83 0.65 115.31 122.63 1r3b h LEU 206 Ca -0.00 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.83 1r3b h LEU 206 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1r3b h LEU 206 CO 0.00 0.18 -0.56 0.40 -4.11 0.00 0.00 178.44 174.36 1r3b h ILE 207 N 0.00 1.34 -0.23 0.15 2.04 -1.49 -2.19 117.51 117.13 1r3b h ILE 207 Ca -0.00 -1.84 -0.13 0.00 1.00 0.00 0.00 64.86 63.89 1r3b h ILE 207 Cb 0.33 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1r3b h ILE 207 CO 0.02 0.56 -0.37 -0.33 0.00 0.00 0.00 178.15 178.04 1r3b h GLU 208 N 0.24 0.65 -0.66 2.37 5.08 -1.14 0.68 114.58 121.80 1r3b h GLU 208 Ca -0.03 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1r3b h GLU 208 Cb 1.20 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1r3b h GLU 208 CO 0.12 1.01 0.37 0.87 -1.00 0.00 0.00 179.01 180.38 1r3b h LYS 209 N 0.35 0.92 -0.08 2.33 6.56 -0.94 -3.03 116.57 122.68 1r3b h LYS 209 Ca 0.02 -0.10 -0.12 0.00 -1.06 0.00 0.00 60.65 59.39 1r3b h LYS 209 Cb 0.96 -0.18 0.01 0.00 -0.57 0.00 0.00 32.23 32.44 1r3b h LYS 209 CO 0.08 0.69 -0.42 1.25 -2.06 0.00 0.00 179.45 178.99 1r3b h LEU 210 N 0.91 0.50 -9.23 2.94 7.12 -1.39 -3.43 115.31 112.72 1r3b h LEU 210 Ca 0.23 -0.66 -0.56 0.00 0.13 0.00 0.00 57.88 57.03 1r3b h LEU 210 Cb 0.03 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 1r3b h LEU 210 CO -0.04 1.08 0.88 -0.83 -0.13 0.00 0.00 178.44 179.40 1r3b s GLY 211 N -3.86 1.74 -0.14 3.75 0.00 0.23 -5.01 107.32 104.02 1r3b s GLY 211 Ca -0.14 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.17 1r3b s GLY 211 CO 0.80 2.53 0.00 -0.56 0.00 0.00 0.00 173.10 175.87 1r3b s SER 212 N 2.08 5.16 -0.63 1.64 0.01 -1.26 -4.77 113.70 115.93 1r3b s SER 212 Ca 0.59 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.80 1r3b s SER 212 Cb -0.25 -1.75 0.16 0.00 0.21 0.00 0.00 66.02 64.39 1r3b s SER 212 CO 0.20 0.23 0.48 -0.54 0.41 0.00 0.00 173.24 174.02 1r3b s LYS 213 N 0.02 2.73 -0.35 12.44 1.02 -1.26 -5.03 119.74 129.31 1r3b s LYS 213 Ca 0.03 -2.37 -0.03 0.00 0.02 0.00 0.00 55.97 53.61 1r3b s LYS 213 Cb -0.13 -3.89 0.07 0.00 -0.52 0.00 0.00 37.83 33.36 1r3b s LYS 213 CO 0.02 -1.19 0.09 0.16 -0.92 0.00 0.00 175.35 173.51 1r3b s ASP 214 N 1.32 5.09 0.00 2.83 -4.77 -1.26 -5.32 116.67 114.56 1r3b s ASP 214 Ca 0.15 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 47.87 1r3b s ASP 214 Cb -0.19 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 39.86 1r3b s ASP 214 CO -0.04 -0.37 0.00 -1.14 0.70 0.00 0.00 175.17 174.31