#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3b n GLY 15 N 0.00 -0.71 3.78 -5.12 0.00 -1.26 -5.18 105.19 96.71 1r3b n GLY 15 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1r3b n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r3b n SER 16 N 3.00 -2.30 -3.64 1.61 2.88 -1.26 -5.18 113.62 108.73 1r3b n SER 16 Ca 0.00 -2.62 -0.09 0.00 -1.33 0.00 0.00 58.87 54.83 1r3b n SER 16 Cb 0.00 3.83 -0.07 0.00 -0.75 0.00 0.00 64.21 67.22 1r3b n SER 16 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1r3b s SER 17 N -3.09 -0.42 0.40 -3.46 0.15 -1.26 -5.18 113.70 100.83 1r3b s SER 17 Ca 0.16 0.81 0.08 0.00 0.70 0.00 0.00 55.95 57.70 1r3b s SER 17 Cb -0.05 0.82 -0.06 0.00 -1.71 0.00 0.00 66.02 65.02 1r3b s SER 17 CO 0.12 -0.14 0.10 -1.38 1.20 0.00 0.00 173.24 173.14 1r3b s HIS 18 N 0.19 2.57 -0.06 3.44 0.00 -1.26 -5.15 115.29 115.03 1r3b s HIS 18 Ca 0.03 -0.57 -0.05 0.00 -3.00 0.00 0.00 55.06 51.47 1r3b s HIS 18 Cb -0.05 -1.81 0.02 0.00 -4.00 0.00 0.00 32.58 26.74 1r3b s HIS 18 CO -0.07 0.32 0.15 -1.01 -1.00 0.00 0.00 174.74 173.13 1r3b s HIS 19 N -2.61 -0.16 -0.18 0.38 0.09 -1.26 -5.14 115.29 106.41 1r3b s HIS 19 Ca 0.38 0.41 -0.04 0.00 -0.00 0.00 0.00 55.06 55.81 1r3b s HIS 19 Cb 0.04 0.03 0.06 0.00 -0.00 0.00 0.00 32.58 32.72 1r3b s HIS 19 CO 0.21 -0.09 0.07 -1.58 -0.00 0.00 0.00 174.74 173.34 1r3b s HIS 20 N 0.27 0.50 -0.16 1.40 5.65 -1.26 -5.13 115.29 116.56 1r3b s HIS 20 Ca -0.02 -0.53 -0.06 0.00 0.25 0.00 0.00 55.06 54.70 1r3b s HIS 20 Cb -0.03 -0.83 -0.04 0.00 -1.18 0.00 0.00 32.58 30.51 1r3b s HIS 20 CO -0.01 -0.56 0.03 -1.01 -0.65 0.00 0.00 174.74 172.54 1r3b s HIS 21 N 2.03 3.18 -0.05 3.88 0.09 -1.26 -5.09 115.29 118.07 1r3b s HIS 21 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 55.06 55.03 1r3b s HIS 21 Cb -0.16 -2.01 0.03 0.00 -0.00 0.00 0.00 32.58 30.44 1r3b s HIS 21 CO -0.10 0.14 0.11 -3.38 -0.00 0.00 0.00 174.74 171.51 1r3b s HIS 22 N 0.22 -0.11 0.36 1.40 0.00 -1.26 -5.16 115.29 110.73 1r3b s HIS 22 Ca 0.02 0.37 0.04 0.00 -3.00 0.00 0.00 55.06 52.49 1r3b s HIS 22 Cb -0.13 -0.11 -0.05 0.00 -4.00 0.00 0.00 32.58 28.29 1r3b s HIS 22 CO 0.01 -0.14 0.07 -1.01 -1.00 0.00 0.00 174.74 172.68 1r3b s HIS 23 N 1.03 1.92 -0.19 0.38 0.09 -1.26 -5.16 115.29 112.11 1r3b s HIS 23 Ca -0.08 -1.04 -0.06 0.00 -0.00 0.00 0.00 55.06 53.88 1r3b s HIS 23 Cb -0.11 -1.27 0.09 0.00 -0.00 0.00 0.00 32.58 31.29 1r3b s HIS 23 CO -0.05 -0.05 0.39 -1.12 -0.00 0.00 0.00 174.74 173.91 1r3b s SER 24 N -3.54 -0.09 0.07 1.40 0.01 -1.26 -5.16 113.70 105.13 1r3b s SER 24 Ca 0.32 0.84 -0.03 0.00 1.31 0.00 0.00 55.95 58.39 1r3b s SER 24 Cb 0.07 1.21 -0.03 0.00 0.21 0.00 0.00 66.02 67.48 1r3b s SER 24 CO 0.15 -0.24 0.04 -0.55 0.41 0.00 0.00 173.24 173.05 1r3b s SER 25 N 2.57 0.37 0.00 2.44 0.15 -1.26 -5.07 113.70 112.91 1r3b s SER 25 Ca 0.00 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1r3b s SER 25 Cb -0.12 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1r3b s SER 25 CO -0.12 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1r3b n GLY 26 N 0.05 0.66 2.86 9.45 0.00 -1.26 -5.11 105.19 111.83 1r3b n GLY 26 Ca -0.14 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1r3b n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r3b s LEU 27 N 0.00 2.72 -0.55 0.99 2.96 -1.26 -5.09 118.68 118.45 1r3b s LEU 27 Ca 0.00 -1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 52.24 1r3b s LEU 27 Cb 0.00 -1.09 0.09 0.00 0.50 0.00 0.00 46.19 45.69 1r3b s LEU 27 CO 0.00 -0.33 0.64 -0.69 -1.32 0.00 0.00 176.35 174.65 1r3b s VAL 28 N 1.43 4.89 1.05 1.68 1.01 -1.26 -5.06 120.40 124.14 1r3b s VAL 28 Ca 0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1r3b s VAL 28 Cb -0.18 -4.39 0.22 0.00 0.00 0.00 0.00 36.38 32.03 1r3b s VAL 28 CO -0.13 -0.96 1.08 -2.16 0.00 0.00 0.00 175.10 172.93 1r3b s PRO 29 N 2.53 0.03 0.31 2.72 0.04 -1.26 -5.08 135.00 134.28 1r3b s PRO 29 Ca 0.12 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 1r3b s PRO 29 Cb -0.23 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1r3b s PRO 29 CO 0.08 -3.01 0.59 -0.98 0.04 0.00 0.00 177.00 173.72 1r3b s ARG 30 N -4.86 1.85 0.00 4.56 1.70 -1.26 -5.17 118.95 115.77 1r3b s ARG 30 Ca 0.66 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1r3b s ARG 30 Cb -0.20 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1r3b s ARG 30 CO 0.59 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1r3b n GLY 31 N -0.48 4.35 3.63 3.88 0.00 -1.26 -5.19 105.19 110.12 1r3b n GLY 31 Ca -0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1r3b n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r3b s SER 32 N 0.00 -0.30 -0.10 1.61 1.04 -1.26 -5.19 113.70 109.52 1r3b s SER 32 Ca 0.00 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 1r3b s SER 32 Cb 0.00 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1r3b s SER 32 CO 0.00 -0.82 0.71 0.00 0.98 0.00 0.00 173.24 174.11 1r3b s ALA 33 N -3.30 -1.79 -0.14 5.32 0.00 -1.26 -5.16 121.76 115.43 1r3b s ALA 33 Ca 0.08 1.46 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1r3b s ALA 33 Cb -0.01 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1r3b s ALA 33 CO -0.03 -0.36 0.30 0.99 0.00 0.00 0.00 175.76 176.66 1r3b s THR 34 N -0.92 -0.22 -0.01 0.00 2.01 -1.26 -5.15 115.64 110.09 1r3b s THR 34 Ca -0.08 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1r3b s THR 34 Cb -0.01 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 1r3b s THR 34 CO 0.08 0.07 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.22 1r3b s LEU 35 N 1.79 1.96 0.00 4.42 1.43 -1.26 -5.09 118.68 121.94 1r3b s LEU 35 Ca -0.05 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1r3b s LEU 35 Cb -0.11 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1r3b s LEU 35 CO -0.10 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1r3b n GLY 36 N 2.94 -1.27 3.14 -3.19 0.00 -1.26 -5.16 105.19 100.38 1r3b n GLY 36 Ca -0.15 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.07 0.00 1.61 1.04 -1.26 -5.11 113.70 109.91 1r3b s SER 37 Ca 0.00 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1r3b s SER 37 Cb 0.00 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1r3b s SER 37 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1r3b n GLY 38 N 5.00 3.66 3.02 7.32 0.00 -1.26 -5.13 105.19 117.80 1r3b n GLY 38 Ca -0.13 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1r3b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r3b s ASN 39 N 0.00 3.04 0.25 1.61 2.47 -1.26 -5.01 114.94 116.05 1r3b s ASN 39 Ca 0.00 -0.68 -0.06 0.00 0.42 0.00 0.00 52.86 52.55 1r3b s ASN 39 Cb 0.00 -1.24 0.27 0.00 -1.45 0.00 0.00 41.25 38.83 1r3b s ASN 39 CO 0.00 -0.09 1.88 0.25 -3.72 0.00 0.00 177.10 175.42 1r3b h LEU 40 N 8.00 1.08 -1.23 3.21 7.12 -2.00 -2.32 115.31 129.18 1r3b h LEU 40 Ca -0.35 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 1r3b h LEU 40 Cb 1.12 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 1r3b h LEU 40 CO 0.52 0.86 0.38 -0.09 -0.13 0.00 0.00 178.44 179.98 1r3b h ARG 41 N 1.22 0.91 0.15 1.25 2.43 -1.98 -2.34 114.38 116.02 1r3b h ARG 41 Ca 0.31 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1r3b h ARG 41 Cb 0.01 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1r3b h ARG 41 CO -0.05 0.66 -0.10 0.37 -1.51 0.00 0.00 179.97 179.34 1r3b h GLN 42 N 0.93 -0.23 0.00 0.20 5.75 -1.69 0.85 115.11 120.91 1r3b h GLN 42 Ca 0.24 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1r3b h GLN 42 Cb -0.01 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1r3b h GLN 42 CO -0.04 -0.15 0.00 0.00 -2.65 0.00 0.00 178.83 175.98 1r3b h ALA 43 N 0.61 1.00 0.00 3.38 0.00 -1.39 -2.65 119.26 120.21 1r3b h ALA 43 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 1r3b h ALA 43 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1r3b h ALA 43 CO 0.01 0.00 -2.27 0.28 0.00 0.00 0.00 179.25 177.27 1r3b n VAL 44 N -2.30 1.45 -4.08 0.00 0.31 -0.62 -4.90 118.33 108.19 1r3b n VAL 44 Ca 0.01 -0.82 -0.35 0.00 -0.01 0.00 0.00 64.34 63.17 1r3b n VAL 44 Cb 0.16 -0.67 -0.13 0.00 -0.91 0.00 0.00 33.84 32.29 1r3b n VAL 44 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1r3b s MET 45 N -2.51 3.54 -0.60 5.55 1.00 0.28 -4.93 119.30 121.62 1r3b s MET 45 Ca -0.11 -0.56 -0.37 0.00 0.00 0.00 0.00 55.69 54.64 1r3b s MET 45 Cb 0.07 -3.03 -0.18 0.00 0.00 0.00 0.00 34.83 31.68 1r3b s MET 45 CO 0.81 -0.03 2.14 -0.11 0.00 0.00 0.00 175.02 177.83 1r3b n LEU 46 N 4.35 0.57 -4.58 -0.03 7.94 -1.26 -4.67 117.00 119.32 1r3b n LEU 46 Ca -0.17 0.49 -0.28 0.00 -1.11 0.00 0.00 56.01 54.94 1r3b n LEU 46 Cb 0.52 -0.84 0.22 0.00 0.53 0.00 0.00 43.42 43.84 1r3b n LEU 46 CO 0.31 -0.70 0.58 -2.16 -1.11 0.00 0.00 177.39 174.31 1r3b s PRO 47 N 6.40 -0.39 1.81 1.96 0.04 -1.26 -4.84 135.00 138.72 1r3b s PRO 47 Ca 1.16 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1r3b s PRO 47 Cb -1.33 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1r3b s PRO 47 CO 0.57 -3.30 0.00 -0.85 0.04 0.00 0.00 177.00 173.46 1r3b n GLU 48 N -4.58 0.00 0.00 4.56 0.00 -1.26 -4.53 120.64 114.83 1r3b n GLU 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1r3b n GLU 48 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 1r3b n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1r3b n GLY 49 N 0.00 -2.13 3.03 -1.84 0.00 -1.26 -4.97 105.19 98.02 1r3b n GLY 49 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.17 -0.31 1.61 2.02 -1.26 -5.01 118.70 115.92 1r3b s GLU 50 Ca 0.00 0.70 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1r3b s GLU 50 Cb 0.00 -0.05 0.14 0.00 0.10 0.00 0.00 34.13 34.32 1r3b s GLU 50 CO 0.00 -0.25 0.32 -0.51 0.02 0.00 0.00 175.26 174.84 1r3b s ASP 51 N 2.09 1.52 0.02 -0.19 1.11 -1.26 -5.05 116.67 114.91 1r3b s ASP 51 Ca -0.02 -0.95 -0.19 0.00 0.18 0.00 0.00 52.55 51.57 1r3b s ASP 51 Cb -0.11 0.53 -0.11 0.00 1.07 0.00 0.00 42.92 44.30 1r3b s ASP 51 CO -0.09 -0.36 1.18 0.25 1.18 0.00 0.00 175.17 177.33 1r3b h LEU 52 N 7.97 -0.58 -1.34 1.23 7.12 -1.99 0.14 115.31 127.86 1r3b h LEU 52 Ca -0.09 0.02 0.22 0.00 0.13 0.00 0.00 57.88 58.17 1r3b h LEU 52 Cb 1.07 0.15 -0.09 0.00 -0.53 0.00 0.00 40.66 41.27 1r3b h LEU 52 CO 0.30 -0.39 0.63 -0.55 -0.13 0.00 0.00 178.44 178.30 1r3b h ASN 53 N -0.75 0.52 -0.02 1.25 -1.07 -1.96 -1.19 115.58 112.35 1r3b h ASN 53 Ca -0.07 0.07 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1r3b h ASN 53 Cb 0.53 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 1r3b h ASN 53 CO 0.12 0.17 -0.06 -0.08 0.07 0.00 0.00 177.43 177.64 1r3b h GLU 54 N 0.49 0.08 -0.58 4.14 4.81 -1.97 -2.84 114.58 118.72 1r3b h GLU 54 Ca 0.54 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.82 1r3b h GLU 54 Cb 1.22 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 1r3b h GLU 54 CO -0.27 0.68 0.08 2.35 -0.73 0.00 0.00 179.01 181.13 1r3b h TRP 55 N -0.50 0.12 0.01 0.92 -0.00 0.42 0.63 115.95 117.55 1r3b h TRP 55 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.94 1r3b h TRP 55 Cb 0.69 0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.86 1r3b h TRP 55 CO 0.14 -0.07 -0.10 0.82 -0.00 0.00 0.00 178.44 179.23 1r3b h ILE 56 N 0.21 0.75 -0.37 2.65 2.04 -1.34 -1.29 117.51 120.16 1r3b h ILE 56 Ca 0.30 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.11 1r3b h ILE 56 Cb 0.46 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1r3b h ILE 56 CO -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.72 1r3b h ALA 57 N 0.79 1.31 -0.54 1.87 0.00 -1.04 -2.17 119.26 119.48 1r3b h ALA 57 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1r3b h ALA 57 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1r3b h ALA 57 CO -0.09 0.47 0.24 0.28 0.00 0.00 0.00 179.25 180.15 1r3b h VAL 58 N 0.55 1.21 0.00 0.00 2.07 0.76 -2.99 116.25 117.85 1r3b h VAL 58 Ca 0.12 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1r3b h VAL 58 Cb 0.37 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1r3b h VAL 58 CO 0.01 0.24 -0.60 0.78 0.02 0.00 0.00 177.57 178.02 1r3b h ASN 59 N 0.73 0.00 0.49 0.57 2.35 -1.04 -3.11 115.58 115.57 1r3b h ASN 59 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1r3b h ASN 59 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1r3b h ASN 59 CO -0.02 0.60 -0.24 0.74 -1.65 0.00 0.00 177.43 176.86 1r3b h THR 60 N 0.00 0.52 -0.62 2.81 2.02 -1.24 1.08 112.91 117.47 1r3b h THR 60 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1r3b h THR 60 Cb 1.24 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1r3b h THR 60 CO 0.08 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.86 1r3b h VAL 61 N -0.67 1.20 0.04 3.16 2.07 -1.65 0.45 116.25 120.85 1r3b h VAL 61 Ca -0.07 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1r3b h VAL 61 Cb 0.51 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1r3b h VAL 61 CO 0.11 0.23 -0.02 0.44 0.02 0.00 0.00 177.57 178.34 1r3b h ASP 62 N 0.87 -0.05 0.43 0.57 3.32 -1.41 -2.14 116.42 118.00 1r3b h ASP 62 Ca 0.22 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1r3b h ASP 62 Cb 0.06 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1r3b h ASP 62 CO -0.03 0.45 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.44 1r3b h PHE 63 N -0.57 -0.62 -0.35 4.55 0.04 0.14 -0.14 116.94 120.00 1r3b h PHE 63 Ca -0.01 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.84 1r3b h PHE 63 Cb 0.51 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 1r3b h PHE 63 CO 0.09 -0.37 0.25 0.35 -0.60 0.00 0.00 178.31 178.03 1r3b h PHE 64 N -0.62 0.11 0.13 -0.55 3.57 -1.01 -0.36 116.94 118.20 1r3b h PHE 64 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1r3b h PHE 64 Cb 0.50 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1r3b h PHE 64 CO -0.07 0.06 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.03 1r3b h ASN 65 N 0.11 -0.14 -0.51 0.41 -1.24 -0.74 0.12 115.58 113.58 1r3b h ASN 65 Ca 0.16 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 56.79 1r3b h ASN 65 Cb 0.52 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 1r3b h ASN 65 CO -0.02 0.40 0.31 1.56 -1.29 0.00 0.00 177.43 178.40 1r3b h GLN 66 N -0.77 0.60 -0.36 6.67 4.20 -0.64 0.38 115.11 125.20 1r3b h GLN 66 Ca -0.02 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1r3b h GLN 66 Cb 0.54 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1r3b h GLN 66 CO 0.03 0.40 -0.29 -0.84 -0.67 0.00 0.00 178.83 177.46 1r3b h ILE 67 N 0.62 1.28 -0.52 2.54 -0.00 -1.16 -2.73 117.51 117.55 1r3b h ILE 67 Ca 0.21 -1.45 -0.06 0.00 -0.00 0.00 0.00 64.86 63.55 1r3b h ILE 67 Cb 0.01 1.42 -0.02 0.00 -0.00 0.00 0.00 36.82 38.23 1r3b h ILE 67 CO -0.09 0.48 0.06 -1.13 -0.00 0.00 0.00 178.15 177.47 1r3b h ASN 68 N 0.61 0.79 -0.72 2.16 -1.24 -0.39 -2.68 115.58 114.11 1r3b h ASN 68 Ca 0.06 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 1r3b h ASN 68 Cb 0.86 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.67 1r3b h ASN 68 CO 0.07 0.82 0.43 -0.03 -1.29 0.00 0.00 177.43 177.43 1r3b h MET 69 N 0.79 0.98 0.38 6.67 4.05 -0.13 -1.73 114.93 125.94 1r3b h MET 69 Ca 0.16 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1r3b h MET 69 Cb 0.38 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1r3b h MET 69 CO 0.01 0.70 -0.18 -0.07 0.23 0.00 0.00 176.91 177.60 1r3b h LEU 70 N 0.98 -0.43 -2.75 3.39 -0.00 -1.17 -1.62 115.31 113.71 1r3b h LEU 70 Ca 0.26 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1r3b h LEU 70 Cb -0.02 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1r3b h LEU 70 CO -0.05 -0.31 0.05 0.22 -0.00 0.00 0.00 178.44 178.36 1r3b h TYR 71 N -0.51 0.00 0.00 1.13 5.03 -1.32 -0.71 116.97 120.59 1r3b h TYR 71 Ca -0.05 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.18 1r3b h TYR 71 Cb 0.39 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1r3b h TYR 71 CO -0.05 0.00 -0.36 0.78 -1.32 0.00 0.00 178.16 177.21 1r3b h GLY 72 N 0.00 0.00 1.68 1.82 0.00 -0.36 0.48 103.07 106.69 1r3b h GLY 72 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1r3b h GLY 72 CO -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 1r3b h THR 73 N 0.00 0.00 0.00 4.70 1.03 -1.05 -3.35 112.91 114.24 1r3b h THR 73 Ca -0.00 -0.90 -0.31 0.00 -0.01 0.00 0.00 66.41 65.19 1r3b h THR 73 Cb 0.76 1.74 -0.06 0.00 -1.07 0.00 0.00 68.15 69.52 1r3b h THR 73 CO 0.05 0.00 -2.16 0.00 -0.01 0.00 0.00 175.52 173.40 1r3b n ILE 74 N -2.82 1.16 -0.25 0.00 3.06 -1.05 -4.42 119.36 115.04 1r3b n ILE 74 Ca 0.03 -0.69 0.32 0.00 -2.50 0.00 0.00 62.75 59.91 1r3b n ILE 74 Cb 0.52 -0.60 0.71 0.00 0.54 0.00 0.00 39.64 40.81 1r3b n ILE 74 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1r3b h THR 75 N 0.00 0.32 -0.85 9.51 1.03 -0.18 0.87 112.91 123.61 1r3b h THR 75 Ca -0.46 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.11 1r3b h THR 75 Cb 2.01 0.38 -0.06 0.00 -1.07 0.00 0.00 68.15 69.41 1r3b h THR 75 CO 0.02 0.00 0.56 1.05 -0.01 0.00 0.00 175.52 177.14 1r3b h GLU 76 N 0.00 0.47 0.00 0.00 4.11 -1.77 -3.21 114.58 114.18 1r3b h GLU 76 Ca 0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1r3b h GLU 76 Cb 2.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1r3b h GLU 76 CO -0.01 0.31 -0.91 1.97 0.07 0.00 0.00 179.01 180.44 1r3b n PHE 77 N -4.52 0.00 -1.39 2.06 1.16 0.10 -5.03 117.46 109.85 1r3b n PHE 77 Ca 0.17 0.00 -0.57 0.00 -1.87 0.00 0.00 57.45 55.18 1r3b n PHE 77 Cb 0.58 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 1r3b n PHE 77 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3b n THR 79 N 6.42 0.00 -0.96 0.00 -2.24 -1.26 -4.83 114.28 111.41 1r3b n THR 79 Ca 0.46 -0.71 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1r3b n THR 79 Cb 0.07 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1r3b n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r3b n GLU 80 N -0.23 -2.17 -0.15 -0.78 4.71 -1.26 -4.50 120.64 116.25 1r3b n GLU 80 Ca 0.00 1.74 -0.04 0.00 -0.01 0.00 0.00 57.16 58.85 1r3b n GLU 80 Cb 0.18 -2.56 0.05 0.00 -1.01 0.00 0.00 31.44 28.10 1r3b n GLU 80 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1r3b h SER 81 N -0.94 0.21 -5.80 1.62 4.64 -1.97 -3.44 113.55 107.88 1r3b h SER 81 Ca -0.11 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1r3b h SER 81 Cb 0.91 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1r3b h SER 81 CO 0.05 0.15 -0.57 0.35 -0.87 0.00 0.00 176.83 175.94 1r3b n THR 82 N -4.98 -8.14 -2.75 2.95 -2.24 -1.26 -4.27 114.28 93.59 1r3b n THR 82 Ca 0.04 0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1r3b n THR 82 Cb 0.17 -5.73 0.01 0.00 -2.10 0.00 0.00 70.33 62.68 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 -0.22 5.16 -2.63 0.00 2.88 -1.26 -4.84 113.62 112.72 1r3b n SER 84 Ca 0.10 -3.69 -0.34 0.00 -1.33 0.00 0.00 58.87 53.61 1r3b n SER 84 Cb 0.39 -0.70 0.03 0.00 -0.75 0.00 0.00 64.21 63.18 1r3b n SER 84 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1r3b n VAL 85 N -0.21 3.16 -3.17 2.46 3.14 -1.26 -4.96 118.33 117.50 1r3b n VAL 85 Ca 0.35 -4.27 -0.44 0.00 -2.96 0.00 0.00 64.34 57.02 1r3b n VAL 85 Cb 0.36 -1.23 -0.05 0.00 -1.06 0.00 0.00 33.84 31.86 1r3b n VAL 85 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1r3b s MET 86 N -3.85 3.06 -0.02 1.45 0.00 -1.26 -5.02 119.30 113.65 1r3b s MET 86 Ca 0.53 -1.22 0.01 0.00 0.00 0.00 0.00 55.69 55.00 1r3b s MET 86 Cb 0.44 -4.21 0.02 0.00 0.00 0.00 0.00 34.83 31.08 1r3b s MET 86 CO -0.25 -1.38 -0.02 -1.54 0.00 0.00 0.00 175.02 171.82 1r3b s SER 87 N 3.25 0.53 -0.23 1.11 1.04 -1.26 -4.89 113.70 113.25 1r3b s SER 87 Ca 0.11 -0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 1r3b s SER 87 Cb -0.23 -0.21 0.11 0.00 0.10 0.00 0.00 66.02 65.79 1r3b s SER 87 CO 0.08 -0.04 0.93 0.00 0.98 0.00 0.00 173.24 175.19 1r3b s ALA 88 N 0.62 -1.91 0.00 5.32 0.00 -1.26 -5.01 121.76 119.52 1r3b s ALA 88 Ca -0.07 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1r3b s ALA 88 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1r3b s ALA 88 CO -0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1r3b n GLY 89 N 1.85 -1.69 3.74 0.00 0.00 -1.26 -2.46 105.19 105.36 1r3b n GLY 89 Ca -0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1r3b n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3b s PRO 90 N -4.36 0.74 0.11 1.61 0.04 -1.26 -4.42 135.00 127.45 1r3b s PRO 90 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1r3b s PRO 90 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1r3b s PRO 90 CO 0.00 -2.49 0.00 0.54 0.04 0.00 0.00 177.00 175.09 1r3b n ARG 91 N -3.98 0.00 -4.28 4.56 1.74 -1.26 -4.61 116.66 108.83 1r3b n ARG 91 Ca 0.06 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.87 1r3b n ARG 91 Cb 0.59 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.93 1r3b n ARG 91 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3b s TYR 92 N 0.00 2.66 -0.44 -1.55 6.14 -1.26 -5.10 117.35 117.80 1r3b s TYR 92 Ca 0.00 -0.21 -0.16 0.00 0.64 0.00 0.00 57.07 57.34 1r3b s TYR 92 Cb 0.00 -1.30 0.04 0.00 0.42 0.00 0.00 41.96 41.12 1r3b s TYR 92 CO 0.00 0.51 0.40 -1.83 0.64 0.00 0.00 175.55 175.27 1r3b s GLU 93 N -2.84 3.02 0.03 4.97 1.03 -1.26 -4.52 118.70 119.13 1r3b s GLU 93 Ca 0.25 -1.04 -0.27 0.00 0.03 0.00 0.00 54.97 53.94 1r3b s GLU 93 Cb -0.09 -4.04 0.09 0.00 -0.80 0.00 0.00 34.13 29.29 1r3b s GLU 93 CO 0.16 -0.91 0.76 0.71 -1.33 0.00 0.00 175.26 174.64 1r3b s TYR 94 N 1.89 -0.48 0.00 4.83 2.02 -1.03 -4.81 117.35 119.77 1r3b s TYR 94 Ca 0.08 0.47 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 1r3b s TYR 94 Cb -0.20 0.51 0.01 0.00 -0.40 0.00 0.00 41.96 41.89 1r3b s TYR 94 CO 0.10 -0.65 0.98 1.58 -1.57 0.00 0.00 175.55 175.99 1r3b n HIS 95 N 0.02 0.00 -1.10 2.71 -0.00 -1.26 -4.68 115.22 110.92 1r3b n HIS 95 Ca -0.14 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.72 57.42 1r3b n HIS 95 Cb 0.62 -0.04 0.11 0.00 -0.00 0.00 0.00 29.99 30.68 1r3b n HIS 95 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1r3b n TRP 96 N 0.02 -3.70 -3.92 1.57 5.03 -1.26 -5.04 117.44 110.12 1r3b n TRP 96 Ca 0.00 -0.54 -0.35 0.00 3.03 0.00 0.00 57.50 59.64 1r3b n TRP 96 Cb 0.70 -0.54 -0.14 0.00 -1.03 0.00 0.00 31.31 30.30 1r3b n TRP 96 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1r3b s ALA 97 N -3.47 2.77 0.58 6.99 0.00 -1.26 -5.11 121.76 122.27 1r3b s ALA 97 Ca 0.37 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1r3b s ALA 97 Cb -0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1r3b s ALA 97 CO 0.27 -0.68 1.02 -0.51 0.00 0.00 0.00 175.76 175.86 1r3b s ASP 98 N 1.40 6.29 0.00 0.00 1.11 -1.26 -4.88 116.67 119.33 1r3b s ASP 98 Ca 0.03 1.52 0.00 0.00 0.18 0.00 0.00 52.55 54.28 1r3b s ASP 98 Cb -0.16 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1r3b s ASP 98 CO -0.04 -0.82 0.00 0.61 1.18 0.00 0.00 175.17 176.10 1r3b n GLY 99 N -2.09 -0.08 2.58 0.21 0.00 -1.26 -4.92 105.19 99.63 1r3b n GLY 99 Ca 0.07 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -1.30 -2.16 2.61 -1.04 -1.26 -4.87 114.28 106.25 1r3b n THR 100 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1r3b n THR 100 Cb 0.00 -3.13 0.09 0.00 -1.82 0.00 0.00 70.33 65.47 1r3b n THR 100 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1r3b n ASN 101 N -2.13 1.46 -4.38 8.00 4.13 -1.26 -5.06 115.26 116.01 1r3b n ASN 101 Ca -0.21 -2.79 -0.31 0.00 1.68 0.00 0.00 54.58 52.95 1r3b n ASN 101 Cb 0.67 -0.40 -0.15 0.00 -1.54 0.00 0.00 39.78 38.36 1r3b n ASN 101 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1r3b s ILE 102 N -1.62 2.44 0.60 2.41 -1.09 -1.26 -5.07 121.20 117.61 1r3b s ILE 102 Ca 0.36 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1r3b s ILE 102 Cb 0.38 -1.91 0.08 0.00 -1.58 0.00 0.00 42.46 39.43 1r3b s ILE 102 CO -0.12 0.54 0.82 -0.54 -1.23 0.00 0.00 174.94 174.42 1r3b s LYS 103 N -0.78 2.22 0.75 2.79 -0.14 -1.26 -5.08 119.74 118.25 1r3b s LYS 103 Ca 0.11 -1.20 -0.14 0.00 -1.36 0.00 0.00 55.97 53.37 1r3b s LYS 103 Cb -0.10 -2.52 0.05 0.00 -1.68 0.00 0.00 37.83 33.58 1r3b s LYS 103 CO 0.00 -0.94 1.18 -1.59 -0.76 0.00 0.00 175.35 173.24 1r3b s LYS 104 N -4.81 2.06 0.19 1.68 -2.85 -1.26 -4.91 119.74 109.84 1r3b s LYS 104 Ca 0.61 1.66 -0.32 0.00 -1.00 0.00 0.00 55.97 56.92 1r3b s LYS 104 Cb -0.07 -1.83 -0.12 0.00 -2.06 0.00 0.00 37.83 33.74 1r3b s LYS 104 CO 0.40 -1.87 1.73 -0.35 0.10 0.00 0.00 175.35 175.36 1r3b n PRO 105 N -2.93 2.71 -3.74 1.78 -0.04 -1.26 -5.00 135.00 126.51 1r3b n PRO 105 Ca 0.13 0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 64.44 1r3b n PRO 105 Cb 0.51 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 31.06 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 1.44 0.06 0.71 0.52 2.07 -1.26 -5.16 121.20 119.58 1r3b s ILE 106 Ca 0.77 -0.53 -0.14 0.00 -1.41 0.00 0.00 60.65 59.34 1r3b s ILE 106 Cb -0.52 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.33 1r3b s ILE 106 CO 0.34 -0.29 1.14 -0.54 -1.91 0.00 0.00 174.94 173.68 1r3b s LYS 107 N -1.84 2.44 -0.07 3.50 1.02 -1.26 -5.05 119.74 118.48 1r3b s LYS 107 Ca -0.10 1.48 -0.03 0.00 0.02 0.00 0.00 55.97 57.35 1r3b s LYS 107 Cb -0.03 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1r3b s LYS 107 CO 0.01 -1.55 0.13 0.00 -0.92 0.00 0.00 175.35 173.03 1r3b n SER 109 N 4.66 0.00 0.33 0.00 7.64 -1.26 -4.73 113.62 120.27 1r3b n SER 109 Ca -0.18 -0.95 -0.13 0.00 1.01 0.00 0.00 58.87 58.63 1r3b n SER 109 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.84 -1.09 0.00 -0.43 0.00 -1.93 0.41 119.26 115.37 1r3b h ALA 110 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r3b h ALA 110 Cb 0.00 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r3b h ALA 110 CO 0.00 -1.02 -0.01 -1.00 0.00 0.00 0.00 179.25 177.21 1r3b h PRO 111 N -0.97 0.00 0.12 0.00 0.13 -1.88 -0.18 132.00 129.22 1r3b h PRO 111 Ca -0.09 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.87 1r3b h PRO 111 Cb 0.66 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.81 1r3b h PRO 111 CO 0.14 0.01 -0.76 -0.22 -0.23 0.00 0.00 178.00 176.95 1r3b h LYS 112 N 0.00 0.30 -0.57 0.86 3.64 -1.90 -2.97 116.57 115.93 1r3b h LYS 112 Ca -0.00 -0.48 -0.11 0.00 -1.27 0.00 0.00 60.65 58.79 1r3b h LYS 112 Cb 0.04 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1r3b h LYS 112 CO 0.00 1.22 -0.06 -0.92 -2.27 0.00 0.00 179.45 177.42 1r3b h TYR 113 N -0.36 1.14 -0.88 1.91 3.20 0.32 -2.41 116.97 119.89 1r3b h TYR 113 Ca -0.13 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 61.50 1r3b h TYR 113 Cb 1.58 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 1r3b h TYR 113 CO 0.19 1.03 0.45 0.97 -1.64 0.00 0.00 178.16 179.17 1r3b h ILE 114 N 0.93 1.26 -0.70 1.81 6.09 -1.15 -1.30 117.51 124.44 1r3b h ILE 114 Ca 0.15 -0.69 -0.06 0.00 -1.37 0.00 0.00 64.86 62.89 1r3b h ILE 114 Cb 0.62 0.10 -0.03 0.00 0.47 0.00 0.00 36.82 37.98 1r3b h ILE 114 CO 0.04 0.31 0.20 -0.78 -3.07 0.00 0.00 178.15 174.84 1r3b h ASP 115 N 1.24 1.04 -0.59 2.19 3.58 -1.34 -2.18 116.42 120.37 1r3b h ASP 115 Ca 0.31 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1r3b h ASP 115 Cb 0.07 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1r3b h ASP 115 CO -0.04 0.99 0.24 1.88 -2.88 0.00 0.00 179.24 179.43 1r3b h TYR 116 N 1.05 0.90 -0.02 0.28 0.05 -0.95 0.70 116.97 118.98 1r3b h TYR 116 Ca 0.22 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1r3b h TYR 116 Cb 0.33 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1r3b h TYR 116 CO 0.03 0.71 -0.07 1.25 -1.05 0.00 0.00 178.16 179.03 1r3b h LEU 117 N 0.82 -0.21 -0.59 3.88 5.85 -0.95 0.13 115.31 124.23 1r3b h LEU 117 Ca 0.20 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1r3b h LEU 117 Cb 0.19 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1r3b h LEU 117 CO -0.02 -0.11 -0.31 0.24 -0.34 0.00 0.00 178.44 177.91 1r3b h MET 118 N -0.12 0.00 0.35 1.25 2.86 -1.26 -3.21 114.93 114.80 1r3b h MET 118 Ca 0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1r3b h MET 118 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1r3b h MET 118 CO -0.09 0.31 -0.17 1.15 1.06 0.00 0.00 176.91 179.17 1r3b h THR 119 N 0.00 0.48 -0.94 2.22 2.02 0.10 -0.93 112.91 115.86 1r3b h THR 119 Ca -0.00 -0.70 0.19 0.00 0.77 0.00 0.00 66.41 66.67 1r3b h THR 119 Cb 1.01 0.74 -0.11 0.00 -1.74 0.00 0.00 68.15 68.06 1r3b h THR 119 CO 0.04 0.10 0.53 -0.25 0.37 0.00 0.00 175.52 176.31 1r3b h TRP 120 N -0.94 0.92 -0.10 3.16 7.01 -0.85 0.24 115.95 125.38 1r3b h TRP 120 Ca -0.05 0.04 -0.20 0.00 2.11 0.00 0.00 58.89 60.79 1r3b h TRP 120 Cb 0.52 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1r3b h TRP 120 CO 0.03 0.16 -0.74 -0.39 -2.79 0.00 0.00 178.44 174.71 1r3b h VAL 121 N 0.65 1.34 -0.09 2.65 -1.51 -1.59 -3.09 116.25 114.62 1r3b h VAL 121 Ca 0.55 -2.08 -0.07 0.00 -1.23 0.00 0.00 66.70 63.87 1r3b h VAL 121 Cb 0.88 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 1r3b h VAL 121 CO -0.41 0.64 -0.26 -0.61 -1.23 0.00 0.00 177.57 175.70 1r3b h GLN 122 N 0.37 0.17 -0.43 5.19 4.15 0.59 -2.87 115.11 122.26 1r3b h GLN 122 Ca -0.04 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 1r3b h GLN 122 Cb 1.33 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1r3b h GLN 122 CO 0.14 0.42 -0.27 0.22 -1.93 0.00 0.00 178.83 177.41 1r3b h ASP 123 N 0.15 0.98 -0.80 -0.69 3.58 -0.58 -3.12 116.42 115.94 1r3b h ASP 123 Ca 0.02 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 57.09 1r3b h ASP 123 Cb 0.55 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1r3b h ASP 123 CO 0.04 1.19 0.51 1.56 -2.88 0.00 0.00 179.24 179.66 1r3b h GLN 124 N 0.77 0.96 -0.02 0.28 4.20 -1.43 0.95 115.11 120.83 1r3b h GLN 124 Ca 0.09 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1r3b h GLN 124 Cb 0.85 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1r3b h GLN 124 CO 0.07 0.64 0.06 -0.07 -0.67 0.00 0.00 178.83 178.86 1r3b h LEU 125 N 0.99 0.00 -3.00 1.46 3.38 -1.48 0.03 115.31 116.69 1r3b h LEU 125 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1r3b h LEU 125 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1r3b h LEU 125 CO -0.12 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.74 1r3b n ASP 126 N -3.31 2.30 -3.99 -0.43 -0.08 0.51 -4.88 116.55 106.67 1r3b n ASP 126 Ca -0.02 -2.26 -0.32 0.00 -1.51 0.00 0.00 54.79 50.68 1r3b n ASP 126 Cb 0.13 -0.15 -0.13 0.00 2.34 0.00 0.00 41.12 43.32 1r3b n ASP 126 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r3b s ASP 127 N -1.41 4.57 0.66 1.67 1.11 0.30 -4.93 116.67 118.64 1r3b s ASP 127 Ca 0.12 -2.97 0.37 0.00 0.18 0.00 0.00 52.55 50.25 1r3b s ASP 127 Cb 0.09 -1.70 2.04 0.00 1.07 0.00 0.00 42.92 44.42 1r3b s ASP 127 CO 0.03 -0.27 2.18 -0.08 1.18 0.00 0.00 175.17 178.21 1r3b h GLU 128 N 6.64 0.00 -0.46 8.23 4.57 -1.86 -1.96 114.58 129.74 1r3b h GLU 128 Ca -0.06 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.25 1r3b h GLU 128 Cb 0.91 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1r3b h GLU 128 CO 0.69 0.00 0.46 1.79 -1.18 0.00 0.00 179.01 180.77 1r3b h THR 129 N 0.00 0.41 -0.00 0.32 1.35 -1.92 -0.30 112.91 112.77 1r3b h THR 129 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1r3b h THR 129 Cb 0.30 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1r3b h THR 129 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1r3b n LEU 130 N -3.81 1.26 -4.18 3.87 -0.00 -0.74 -4.93 117.00 108.48 1r3b n LEU 130 Ca 0.08 -1.22 -0.39 0.00 -0.00 0.00 0.00 56.01 54.48 1r3b n LEU 130 Cb 0.65 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 1r3b n LEU 130 CO 0.29 0.31 -0.04 -0.36 -0.00 0.00 0.00 177.39 177.59 1r3b s PHE 131 N -0.25 3.48 -0.87 1.47 0.08 -0.12 -4.78 117.98 116.99 1r3b s PHE 131 Ca 0.01 -2.10 -0.26 0.00 0.12 0.00 0.00 56.93 54.70 1r3b s PHE 131 Cb 0.00 -3.41 -0.12 0.00 -0.57 0.00 0.00 43.02 38.92 1r3b s PHE 131 CO 0.01 -0.98 2.24 -1.25 -0.10 0.00 0.00 175.22 175.14 1r3b s PRO 132 N 1.15 1.81 0.08 0.24 0.04 -1.26 -4.72 135.00 132.33 1r3b s PRO 132 Ca 0.08 0.12 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 1r3b s PRO 132 Cb -0.24 -4.89 -0.26 0.00 0.04 0.00 0.00 34.50 29.15 1r3b s PRO 132 CO -0.02 -4.31 1.15 1.03 0.04 0.00 0.00 177.00 174.89 1r3b h SER 133 N 12.09 0.55 0.00 6.66 0.87 -1.96 -3.43 113.55 128.33 1r3b h SER 133 Ca 0.04 -0.55 -0.10 0.00 -1.23 0.00 0.00 61.79 59.95 1r3b h SER 133 Cb 1.00 -0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.68 1r3b h SER 133 CO 1.06 1.40 0.10 1.17 -0.53 0.00 0.00 176.83 180.04 1r3b n LYS 134 N -3.63 0.11 -4.24 2.24 4.81 -1.26 -5.16 118.16 111.03 1r3b n LYS 134 Ca -0.10 -0.66 -0.19 0.00 -0.87 0.00 0.00 58.31 56.49 1r3b n LYS 134 Cb 1.00 -0.11 -0.11 0.00 0.02 0.00 0.00 35.03 35.82 1r3b n LYS 134 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1r3b s ILE 135 N 0.03 1.40 -0.77 3.15 2.07 -1.26 -5.04 121.20 120.78 1r3b s ILE 135 Ca 0.20 -1.64 -0.20 0.00 -1.41 0.00 0.00 60.65 57.60 1r3b s ILE 135 Cb 0.29 -1.48 -0.15 0.00 0.13 0.00 0.00 42.46 41.25 1r3b s ILE 135 CO -0.20 -0.32 1.93 0.61 -1.91 0.00 0.00 174.94 175.05 1r3b n GLY 136 N 0.73 2.59 3.20 1.50 0.00 -1.26 -4.84 105.19 107.11 1r3b n GLY 136 Ca -0.17 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 4.87 0.99 -0.50 1.61 -7.23 -1.26 -5.11 120.40 113.77 1r3b s VAL 137 Ca 0.55 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.65 1r3b s VAL 137 Cb 0.14 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.56 1r3b s VAL 137 CO 0.11 -0.64 1.33 -2.16 -0.31 0.00 0.00 175.10 173.43 1r3b s PRO 138 N -3.17 3.50 0.05 4.82 0.04 -1.26 -4.91 135.00 134.06 1r3b s PRO 138 Ca 0.09 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.53 1r3b s PRO 138 Cb -0.00 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.37 1r3b s PRO 138 CO -0.00 -1.68 1.44 0.35 0.04 0.00 0.00 177.00 177.15 1r3b h PHE 139 N 10.41 0.34 0.00 0.56 3.04 -1.96 0.60 116.94 129.93 1r3b h PHE 139 Ca -0.26 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1r3b h PHE 139 Cb 1.09 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.51 1r3b h PHE 139 CO 1.00 0.57 0.00 -0.35 -2.02 0.00 0.00 178.31 177.51 1r3b n PRO 140 N -4.69 0.93 0.02 6.41 -0.04 -1.26 -1.96 135.00 134.40 1r3b n PRO 140 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1r3b n PRO 140 Cb 0.26 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1r3b n PRO 140 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1r3b n LYS 141 N -0.69 0.00 0.20 0.54 4.81 -1.12 -4.59 118.16 117.30 1r3b n LYS 141 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1r3b n LYS 141 Cb 0.04 -0.13 -0.04 0.00 0.02 0.00 0.00 35.03 34.92 1r3b n LYS 141 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1r3b h ASN 142 N 0.00 -0.45 -0.32 3.14 -0.73 -1.05 -1.90 115.58 114.27 1r3b h ASN 142 Ca 0.00 0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.28 1r3b h ASN 142 Cb 0.00 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1r3b h ASN 142 CO 0.00 -0.18 0.25 0.15 -0.37 0.00 0.00 177.43 177.27 1r3b h PHE 143 N -0.81 0.00 -0.24 0.67 3.04 -1.49 -0.55 116.94 117.55 1r3b h PHE 143 Ca -0.05 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.81 1r3b h PHE 143 Cb 0.41 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1r3b h PHE 143 CO 0.04 0.00 -0.18 0.52 -2.02 0.00 0.00 178.31 176.68 1r3b h MET 144 N 0.00 0.55 -0.43 1.11 2.86 -1.38 0.50 114.93 118.14 1r3b h MET 144 Ca 0.15 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 1r3b h MET 144 Cb 0.64 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1r3b h MET 144 CO -0.00 0.84 -0.30 1.03 1.06 0.00 0.00 176.91 179.54 1r3b h SER 145 N 0.26 1.00 -0.05 1.22 0.87 -0.39 0.49 113.55 116.96 1r3b h SER 145 Ca 0.05 -0.42 -0.24 0.00 -1.23 0.00 0.00 61.79 59.95 1r3b h SER 145 Cb 0.71 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1r3b h SER 145 CO 0.05 1.21 -0.90 1.62 -0.53 0.00 0.00 176.83 178.27 1r3b h VAL 146 N 0.80 1.29 -0.08 2.23 3.04 -1.14 -2.82 116.25 119.57 1r3b h VAL 146 Ca 0.09 -2.12 -0.13 0.00 -1.01 0.00 0.00 66.70 63.52 1r3b h VAL 146 Cb 0.88 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 1r3b h VAL 146 CO 0.08 0.66 -0.54 0.00 -1.01 0.00 0.00 177.57 176.76 1r3b h ALA 147 N 0.51 0.94 -0.11 3.17 0.00 0.04 -2.53 119.26 121.27 1r3b h ALA 147 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1r3b h ALA 147 Cb 1.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1r3b h ALA 147 CO 0.18 0.68 -0.63 0.87 0.00 0.00 0.00 179.25 180.35 1r3b h LYS 148 N 0.18 0.39 0.00 0.00 1.79 -0.92 -2.70 116.57 115.32 1r3b h LYS 148 Ca 0.00 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 58.13 1r3b h LYS 148 Cb 1.01 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1r3b h LYS 148 CO 0.08 0.90 -0.29 0.00 -1.08 0.00 0.00 179.45 179.07 1r3b h THR 149 N 0.29 0.60 0.00 -0.16 1.03 -1.41 -2.70 112.91 110.56 1r3b h THR 149 Ca -0.01 -1.41 -0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1r3b h THR 149 Cb 1.17 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 70.21 1r3b h THR 149 CO 0.11 0.28 -0.00 -0.29 -0.01 0.00 0.00 175.52 175.61 1r3b h ILE 150 N 0.00 1.63 -0.17 0.00 2.10 -1.29 -2.35 117.51 117.43 1r3b h ILE 150 Ca -0.00 -1.89 -0.07 0.00 1.08 0.00 0.00 64.86 63.98 1r3b h ILE 150 Cb 0.94 2.92 -0.01 0.00 -1.09 0.00 0.00 36.82 39.58 1r3b h ILE 150 CO 0.04 0.49 -0.19 -0.07 -1.08 0.00 0.00 178.15 177.34 1r3b h LEU 151 N -0.81 0.29 -0.13 2.19 3.38 -1.55 -2.37 115.31 116.30 1r3b h LEU 151 Ca -0.00 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 1r3b h LEU 151 Cb 0.80 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1r3b h LEU 151 CO 0.00 0.50 -0.81 0.11 0.09 0.00 0.00 178.44 178.32 1r3b h LYS 152 N 0.27 0.79 0.25 1.13 6.56 -1.57 -1.94 116.57 122.07 1r3b h LYS 152 Ca 0.05 -0.67 -0.01 0.00 -1.06 0.00 0.00 60.65 58.96 1r3b h LYS 152 Cb 0.50 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1r3b h LYS 152 CO 0.03 1.27 -0.12 0.00 -2.06 0.00 0.00 179.45 178.57 1r3b h ARG 153 N 0.52 -0.33 -0.01 3.15 -0.00 -1.24 -2.59 114.38 113.89 1r3b h ARG 153 Ca -0.06 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1r3b h ARG 153 Cb 1.45 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 31.49 1r3b h ARG 153 CO 0.17 -0.10 0.00 1.37 0.00 0.00 0.00 179.97 181.41 1r3b h LEU 154 N -0.51 0.01 -1.65 3.04 8.10 -1.53 -2.84 115.31 119.93 1r3b h LEU 154 Ca -0.03 -0.21 0.26 0.00 0.11 0.00 0.00 57.88 58.00 1r3b h LEU 154 Cb 0.38 -0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.53 1r3b h LEU 154 CO 0.06 0.22 0.67 0.15 -4.11 0.00 0.00 178.44 175.43 1r3b h PHE 155 N -0.20 0.37 0.11 0.17 3.57 -1.39 -0.69 116.94 118.87 1r3b h PHE 155 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1r3b h PHE 155 Cb 0.22 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1r3b h PHE 155 CO -0.00 0.06 -0.17 0.00 -2.23 0.00 0.00 178.31 175.97 1r3b h ARG 156 N 0.25 -0.33 0.36 1.11 3.08 -1.20 0.53 114.38 118.19 1r3b h ARG 156 Ca 0.51 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.57 1r3b h ARG 156 Cb 1.56 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 1r3b h ARG 156 CO -0.15 -0.22 -0.20 0.28 -1.07 0.00 0.00 179.97 178.61 1r3b h VAL 157 N -0.34 0.58 -0.75 2.04 2.07 -1.19 0.11 116.25 118.77 1r3b h VAL 157 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1r3b h VAL 157 Cb 0.35 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1r3b h VAL 157 CO -0.09 0.00 0.49 0.22 0.02 0.00 0.00 177.57 178.21 1r3b h TYR 158 N -0.53 0.63 0.01 1.57 3.20 -1.26 0.11 116.97 120.69 1r3b h TYR 158 Ca -0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1r3b h TYR 158 Cb 0.43 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1r3b h TYR 158 CO -0.08 0.28 -0.00 0.00 -1.64 0.00 0.00 178.16 176.72 1r3b h ALA 159 N 1.63 -0.01 -0.30 1.82 0.00 0.58 -3.11 119.26 119.87 1r3b h ALA 159 Ca 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1r3b h ALA 159 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1r3b h ALA 159 CO -0.13 -0.17 -0.15 1.12 0.00 0.00 0.00 179.25 179.93 1r3b h HIS 160 N -0.68 0.72 -0.81 0.00 2.07 -0.45 -2.99 115.15 113.01 1r3b h HIS 160 Ca -0.00 -0.18 0.13 0.00 -2.85 0.00 0.00 60.37 57.47 1r3b h HIS 160 Cb 0.66 -0.17 -0.06 0.00 2.57 0.00 0.00 27.41 30.42 1r3b h HIS 160 CO 0.16 0.86 0.53 -0.84 -3.07 0.00 0.00 177.93 175.56 1r3b h ILE 161 N 0.38 0.85 0.26 6.12 -0.00 -0.92 0.28 117.51 124.47 1r3b h ILE 161 Ca 0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.73 1r3b h ILE 161 Cb 0.67 0.21 -0.02 0.00 -0.00 0.00 0.00 36.82 37.67 1r3b h ILE 161 CO 0.04 0.11 -0.30 0.22 -0.00 0.00 0.00 178.15 178.23 1r3b h TYR 162 N 0.59 -0.80 0.00 0.16 5.03 -1.45 0.71 116.97 121.22 1r3b h TYR 162 Ca 0.39 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.59 1r3b h TYR 162 Cb 0.69 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.27 1r3b h TYR 162 CO -0.00 -0.42 -0.58 0.45 -1.32 0.00 0.00 178.16 176.29 1r3b h HIS 163 N -0.60 0.00 0.16 -3.82 3.86 -1.38 -3.02 115.15 110.35 1r3b h HIS 163 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1r3b h HIS 163 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1r3b h HIS 163 CO -0.20 0.58 -0.08 1.96 0.86 0.00 0.00 177.93 181.05 1r3b h GLN 164 N 0.00 -0.21 -2.43 2.45 1.08 -0.07 -3.39 115.11 112.54 1r3b h GLN 164 Ca -0.01 0.01 -0.71 0.00 -1.45 0.00 0.00 58.65 56.50 1r3b h GLN 164 Cb 1.07 0.05 -0.35 0.00 -0.05 0.00 0.00 27.48 28.20 1r3b h GLN 164 CO 0.08 -0.14 0.16 0.72 -0.95 0.00 0.00 178.83 178.70 1r3b n HIS 165 N -4.35 3.14 0.26 2.96 -0.00 0.24 -4.84 115.22 112.64 1r3b n HIS 165 Ca -0.03 -3.31 -0.13 0.00 -0.00 0.00 0.00 57.72 54.26 1r3b n HIS 165 Cb 0.08 -0.89 -0.06 0.00 -0.00 0.00 0.00 29.99 29.12 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 4.26 -0.66 -0.96 4.41 3.04 -1.67 -3.01 116.94 122.36 1r3b h PHE 166 Ca 0.26 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.34 1r3b h PHE 166 Cb 0.53 0.22 -0.09 0.00 2.56 0.00 0.00 35.95 39.17 1r3b h PHE 166 CO 0.97 -0.36 0.57 0.22 -2.02 0.00 0.00 178.31 177.70 1r3b h ASP 167 N -1.11 0.78 -0.98 0.41 3.58 -1.89 -0.32 116.42 116.90 1r3b h ASP 167 Ca -0.07 0.07 0.10 0.00 0.42 0.00 0.00 57.03 57.55 1r3b h ASP 167 Cb 0.60 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 1r3b h ASP 167 CO 0.12 0.36 0.62 0.00 -2.88 0.00 0.00 179.24 177.46 1r3b h ALA 168 N 1.57 1.53 -0.61 -0.78 0.00 -1.94 0.38 119.26 119.42 1r3b h ALA 168 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1r3b h ALA 168 Cb 0.64 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1r3b h ALA 168 CO -0.32 0.26 0.33 0.28 0.00 0.00 0.00 179.25 179.80 1r3b h VAL 169 N 1.01 1.20 -0.13 0.00 2.07 -0.91 -2.43 116.25 117.05 1r3b h VAL 169 Ca 0.46 -0.51 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1r3b h VAL 169 Cb 0.40 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1r3b h VAL 169 CO -0.22 0.22 -0.63 -0.03 0.02 0.00 0.00 177.57 176.93 1r3b h MET 170 N 0.82 0.48 -0.24 1.57 -1.53 -1.08 -2.98 114.93 111.98 1r3b h MET 170 Ca 0.21 -0.34 0.05 0.00 -3.44 0.00 0.00 59.70 56.18 1r3b h MET 170 Cb 0.06 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 1r3b h MET 170 CO -0.03 0.96 0.16 0.37 0.14 0.00 0.00 176.91 178.51 1r3b h GLN 171 N 0.35 0.09 -0.09 0.39 5.75 0.10 0.18 115.11 121.88 1r3b h GLN 171 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1r3b h GLN 171 Cb 1.19 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1r3b h GLN 171 CO 0.11 0.06 0.00 1.28 -2.65 0.00 0.00 178.83 177.63 1r3b n LEU 172 N -4.48 0.79 -2.81 -2.39 4.77 -0.95 -4.89 117.00 107.04 1r3b n LEU 172 Ca 0.02 -0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 55.45 1r3b n LEU 172 Cb 0.25 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1r3b n LEU 172 CO 0.35 0.17 -0.01 0.00 -1.33 0.00 0.00 177.39 176.57 1r3b n GLN 173 N -0.24 -4.52 -2.73 3.23 1.13 0.64 -4.89 117.38 109.99 1r3b n GLN 173 Ca 0.14 0.86 -0.04 0.00 -1.94 0.00 0.00 57.00 56.01 1r3b n GLN 173 Cb 0.18 -5.59 0.07 0.00 0.11 0.00 0.00 30.24 25.01 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 -3.79 1.40 -0.05 -1.09 4.07 -1.14 -4.93 120.64 115.10 1r3b n GLU 174 Ca -0.11 -2.77 -0.15 0.00 -0.06 0.00 0.00 57.16 54.07 1r3b n GLU 174 Cb 0.62 -0.90 -0.07 0.00 -0.06 0.00 0.00 31.44 31.03 1r3b n GLU 174 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1r3b h GLU 175 N 2.36 0.57 -0.19 5.31 4.22 -1.82 -3.09 114.58 121.94 1r3b h GLU 175 Ca -0.20 -0.39 0.06 0.00 0.08 0.00 0.00 59.36 58.90 1r3b h GLU 175 Cb 1.25 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1r3b h GLU 175 CO 0.18 1.01 0.16 0.00 -2.18 0.00 0.00 179.01 178.17 1r3b h ALA 176 N 0.56 2.04 -0.03 2.92 0.00 -1.91 -2.14 119.26 120.71 1r3b h ALA 176 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3b h ALA 176 Cb 1.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1r3b h ALA 176 CO 0.09 -0.26 0.02 0.45 0.00 0.00 0.00 179.25 179.55 1r3b h HIS 177 N 0.00 0.04 -0.61 0.00 3.86 -1.94 0.89 115.15 117.40 1r3b h HIS 177 Ca 0.09 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1r3b h HIS 177 Cb 0.40 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1r3b h HIS 177 CO 0.00 0.12 0.32 1.25 0.86 0.00 0.00 177.93 180.48 1r3b h LEU 178 N -0.05 0.76 -0.06 2.43 5.85 -1.47 -0.39 115.31 122.38 1r3b h LEU 178 Ca 0.01 -0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.41 1r3b h LEU 178 Cb 0.09 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.94 1r3b h LEU 178 CO -0.00 0.63 -1.04 -1.13 -0.34 0.00 0.00 178.44 176.56 1r3b h ASN 179 N 0.85 0.72 0.13 1.25 -1.24 -1.24 -2.79 115.58 113.27 1r3b h ASN 179 Ca 0.22 -0.60 -0.01 0.00 0.71 0.00 0.00 56.30 56.62 1r3b h ASN 179 Cb 0.05 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.88 1r3b h ASN 179 CO -0.03 1.40 -0.06 0.74 -1.29 0.00 0.00 177.43 178.19 1r3b h THR 180 N 0.29 0.93 -0.38 -3.57 2.02 0.13 -2.63 112.91 109.70 1r3b h THR 180 Ca -0.12 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1r3b h THR 180 Cb 1.69 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 1r3b h THR 180 CO 0.19 0.06 0.25 -1.28 0.37 0.00 0.00 175.52 175.11 1r3b h SER 181 N -0.29 0.45 -0.26 4.18 0.87 -1.17 -1.03 113.55 116.29 1r3b h SER 181 Ca -0.02 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1r3b h SER 181 Cb 0.23 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1r3b h SER 181 CO 0.03 0.33 0.18 0.15 -0.53 0.00 0.00 176.83 176.99 1r3b h PHE 182 N 0.52 0.27 -0.89 2.24 3.04 -1.18 -1.28 116.94 119.66 1r3b h PHE 182 Ca 0.14 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.12 1r3b h PHE 182 Cb -0.05 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.32 1r3b h PHE 182 CO 0.00 0.16 0.59 -0.22 -2.02 0.00 0.00 178.31 176.82 1r3b h LYS 183 N 0.29 1.13 -0.22 1.11 3.64 -0.95 -2.18 116.57 119.39 1r3b h LYS 183 Ca 0.10 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1r3b h LYS 183 Cb 0.07 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1r3b h LYS 183 CO -0.02 0.75 0.04 0.45 -2.27 0.00 0.00 179.45 178.40 1r3b h HIS 184 N 1.16 0.38 -0.08 1.91 3.86 -1.30 0.93 115.15 122.01 1r3b h HIS 184 Ca 0.34 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1r3b h HIS 184 Cb -0.06 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 1r3b h HIS 184 CO -0.00 0.48 0.14 0.74 0.86 0.00 0.00 177.93 180.16 1r3b h PHE 185 N 0.17 0.00 0.00 2.45 0.04 -1.26 0.21 116.94 118.55 1r3b h PHE 185 Ca 0.07 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.66 1r3b h PHE 185 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1r3b h PHE 185 CO 0.02 0.00 -1.38 -0.89 -0.60 0.00 0.00 178.31 175.46 1r3b n ILE 186 N -3.49 1.50 -0.26 -0.55 2.08 -0.86 -4.13 119.36 113.65 1r3b n ILE 186 Ca -0.01 -0.02 0.01 0.00 0.56 0.00 0.00 62.75 63.29 1r3b n ILE 186 Cb 0.23 -2.17 0.14 0.00 -0.75 0.00 0.00 39.64 37.09 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 -1.00 0.75 -0.51 1.39 3.57 0.10 -0.26 116.94 120.98 1r3b h PHE 187 Ca -0.26 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.35 1r3b h PHE 187 Cb 1.12 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1r3b h PHE 187 CO -0.20 0.32 0.34 0.35 -2.23 0.00 0.00 178.31 176.89 1r3b h PHE 188 N 0.72 0.35 0.18 0.41 3.57 -0.76 -1.90 116.94 119.50 1r3b h PHE 188 Ca 0.35 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1r3b h PHE 188 Cb 0.30 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1r3b h PHE 188 CO -0.08 0.18 -0.09 0.28 -2.23 0.00 0.00 178.31 176.37 1r3b h VAL 189 N 0.34 0.93 -0.32 1.41 2.07 -1.21 -2.93 116.25 116.54 1r3b h VAL 189 Ca 0.23 -0.84 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1r3b h VAL 189 Cb 0.47 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1r3b h VAL 189 CO -0.05 0.18 0.24 1.56 0.02 0.00 0.00 177.57 179.52 1r3b h GLN 190 N -0.67 0.00 0.31 1.57 4.20 -1.02 2.60 115.11 122.10 1r3b h GLN 190 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1r3b h GLN 190 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1r3b h GLN 190 CO 0.04 0.00 -0.15 0.93 -0.67 0.00 0.00 178.83 178.98 1r3b h GLU 191 N 0.00 -0.40 0.00 1.46 4.39 -1.27 -3.35 114.58 115.41 1r3b h GLU 191 Ca 0.15 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1r3b h GLU 191 Cb 0.64 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1r3b h GLU 191 CO -0.00 -0.07 -0.27 1.19 -1.16 0.00 0.00 179.01 178.70 1r3b n PHE 192 N -5.11 0.00 0.03 4.33 3.01 -1.04 -4.88 117.46 113.80 1r3b n PHE 192 Ca -0.09 -1.17 0.00 0.00 1.01 0.00 0.00 57.45 57.20 1r3b n PHE 192 Cb 0.27 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1r3b n PHE 192 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1r3b n ASN 193 N -1.19 -0.28 0.00 4.37 3.02 0.79 -5.01 115.26 116.97 1r3b n ASN 193 Ca 0.16 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1r3b n ASN 193 Cb 0.68 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1r3b n ASN 193 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1r3b n LEU 194 N -2.68 0.19 -4.80 3.41 4.77 0.32 -4.88 117.00 113.32 1r3b n LEU 194 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1r3b n LEU 194 Cb 0.00 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1r3b n LEU 194 CO 0.00 -0.11 0.71 -0.51 -1.33 0.00 0.00 177.39 176.15 1r3b s ILE 195 N -3.14 3.77 -0.43 -0.08 1.10 -1.26 -4.91 121.20 116.25 1r3b s ILE 195 Ca 0.00 0.65 0.01 0.00 -0.51 0.00 0.00 60.65 60.80 1r3b s ILE 195 Cb 0.00 -3.27 0.22 0.00 0.15 0.00 0.00 42.46 39.56 1r3b s ILE 195 CO 0.00 -0.68 0.95 -0.90 -2.11 0.00 0.00 174.94 172.20 1r3b n ASP 196 N -2.91 -2.44 0.00 4.50 5.68 -1.26 -4.80 116.55 115.32 1r3b n ASP 196 Ca 0.08 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 1r3b n ASP 196 Cb 0.53 1.31 0.00 0.00 -1.14 0.00 0.00 41.12 41.82 1r3b n ASP 196 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1r3b n ARG 197 N 2.41 0.00 0.06 0.11 0.63 -1.26 -4.91 116.66 113.69 1r3b n ARG 197 Ca 0.12 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.94 1r3b n ARG 197 Cb 0.62 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.45 1r3b n ARG 197 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1r3b h ARG 198 N 0.00 -0.22 -0.20 -0.14 2.43 -1.96 -0.14 114.38 114.15 1r3b h ARG 198 Ca 0.00 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1r3b h ARG 198 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1r3b h ARG 198 CO 0.00 0.20 -0.41 0.93 -1.51 0.00 0.00 179.97 179.18 1r3b h GLU 199 N -0.84 0.63 -0.95 0.20 5.08 -1.94 -3.15 114.58 113.61 1r3b h GLU 199 Ca -0.02 -0.41 -0.38 0.00 -1.00 0.00 0.00 59.36 57.54 1r3b h GLU 199 Cb 0.52 0.05 -0.23 0.00 0.50 0.00 0.00 28.75 29.60 1r3b h GLU 199 CO 0.04 1.03 0.48 1.28 -1.00 0.00 0.00 179.01 180.84 1r3b n LEU 200 N -4.23 6.01 -0.12 1.33 4.77 -1.26 -4.64 117.00 118.86 1r3b n LEU 200 Ca -0.06 -3.18 -0.07 0.00 -0.03 0.00 0.00 56.01 52.67 1r3b n LEU 200 Cb 0.54 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1r3b n LEU 200 CO 0.46 0.91 0.66 0.00 -1.33 0.00 0.00 177.39 178.09 1r3b h ALA 201 N 1.49 -0.10 -0.08 -1.18 0.00 -0.97 -2.48 119.26 115.94 1r3b h ALA 201 Ca 0.47 0.12 -0.49 0.00 0.00 0.00 0.00 54.91 55.01 1r3b h ALA 201 Cb 2.48 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 20.89 1r3b h ALA 201 CO 0.87 -0.68 1.96 -0.35 0.00 0.00 0.00 179.25 181.05 1r3b n PRO 202 N -5.41 3.06 0.00 0.00 -0.04 -1.26 -3.68 135.00 127.67 1r3b n PRO 202 Ca 0.02 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1r3b n PRO 202 Cb 0.33 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1r3b n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r3b n LEU 203 N 2.88 0.00 0.19 1.53 4.32 -0.93 -4.86 117.00 120.12 1r3b n LEU 203 Ca 0.62 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.80 1r3b n LEU 203 Cb 0.51 0.08 0.77 0.00 -1.62 0.00 0.00 43.42 43.17 1r3b n LEU 203 CO 0.54 -0.24 1.16 -0.61 -1.22 0.00 0.00 177.39 177.01 1r3b h GLN 204 N 0.00 0.00 0.00 3.23 -0.00 -1.64 -0.57 115.11 116.14 1r3b h GLN 204 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1r3b h GLN 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1r3b h GLN 204 CO 0.00 0.00 -0.00 0.93 0.00 0.00 0.00 178.83 179.76 1r3b h GLU 205 N 0.00 -0.00 -0.30 1.69 5.08 -1.89 -2.72 114.58 116.44 1r3b h GLU 205 Ca 0.11 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1r3b h GLU 205 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1r3b h GLU 205 CO -0.00 0.79 -0.27 1.37 -1.00 0.00 0.00 179.01 179.89 1r3b h LEU 206 N -0.80 0.62 -0.85 1.33 8.10 -1.60 -0.40 115.31 121.70 1r3b h LEU 206 Ca -0.00 -0.23 -0.10 0.00 0.11 0.00 0.00 57.88 57.66 1r3b h LEU 206 Cb 0.79 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1r3b h LEU 206 CO 0.00 0.86 -0.20 0.40 -4.11 0.00 0.00 178.44 175.39 1r3b h ILE 207 N 0.52 1.26 0.01 0.15 1.08 -1.26 0.33 117.51 119.61 1r3b h ILE 207 Ca 0.07 -1.25 -0.14 0.00 -0.39 0.00 0.00 64.86 63.15 1r3b h ILE 207 Cb 0.74 1.23 0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1r3b h ILE 207 CO 0.06 0.41 -0.57 -0.33 -0.69 0.00 0.00 178.15 177.03 1r3b h GLU 208 N 0.56 0.36 -0.69 2.37 4.39 -1.29 -2.23 114.58 118.05 1r3b h GLU 208 Ca 0.09 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 1r3b h GLU 208 Cb 0.66 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1r3b h GLU 208 CO 0.05 1.09 0.22 -0.22 -1.16 0.00 0.00 179.01 178.99 1r3b h LYS 209 N -0.20 1.08 -0.48 2.33 3.11 -1.03 -2.91 116.57 118.46 1r3b h LYS 209 Ca -0.07 -0.23 -0.13 0.00 -2.81 0.00 0.00 60.65 57.41 1r3b h LYS 209 Cb 1.30 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1r3b h LYS 209 CO 0.11 0.93 -0.20 1.25 -2.81 0.00 0.00 179.45 178.73 1r3b h LEU 210 N 1.02 1.00 -8.18 5.20 6.46 -1.01 -3.39 115.31 116.42 1r3b h LEU 210 Ca 0.22 -0.39 -0.65 0.00 -0.12 0.00 0.00 57.88 56.94 1r3b h LEU 210 Cb 0.30 -0.28 -0.16 0.00 -0.73 0.00 0.00 40.66 39.80 1r3b h LEU 210 CO -0.01 1.17 0.59 -0.83 -0.62 0.00 0.00 178.44 178.75 1r3b s GLY 211 N -3.70 1.53 0.46 3.75 0.00 -0.84 -5.01 107.32 103.51 1r3b s GLY 211 Ca -0.12 -2.09 0.06 0.00 0.00 0.00 0.00 44.72 42.57 1r3b s GLY 211 CO 0.87 2.03 0.26 -1.35 0.00 0.00 0.00 173.10 174.90 1r3b s SER 212 N 3.69 4.54 0.40 1.64 1.04 -1.26 -4.80 113.70 118.95 1r3b s SER 212 Ca 0.24 -1.15 0.06 0.00 0.48 0.00 0.00 55.95 55.58 1r3b s SER 212 Cb -0.14 -0.11 -0.07 0.00 0.10 0.00 0.00 66.02 65.79 1r3b s SER 212 CO 0.05 -0.76 0.02 -1.59 0.98 0.00 0.00 173.24 171.93 1r3b s LYS 213 N -4.05 1.92 0.18 4.02 -2.85 -1.26 -5.16 119.74 112.54 1r3b s LYS 213 Ca 0.36 -2.09 -0.16 0.00 -1.00 0.00 0.00 55.97 53.08 1r3b s LYS 213 Cb 0.01 -1.50 0.02 0.00 -2.06 0.00 0.00 37.83 34.30 1r3b s LYS 213 CO 0.21 -0.09 0.47 0.16 0.10 0.00 0.00 175.35 176.20 1r3b s ASP 214 N -3.68 -0.22 0.00 0.03 -4.77 -1.26 -5.29 116.67 101.48 1r3b s ASP 214 Ca 0.34 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 1r3b s ASP 214 Cb 0.09 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 1r3b s ASP 214 CO 0.17 -1.00 0.00 -1.14 0.70 0.00 0.00 175.17 173.90